smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000074707306 344008395 /nfs/dbraw/zinc/00/83/95/344008395.db2.gz ZXWBVLZQMUMQSV-UHFFFAOYSA-N 2 1 239.363 0.492 40 0 BCABMP CC(=O)N1CCC([N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000310060007 343790517 /nfs/dbraw/zinc/79/05/17/343790517.db2.gz KPCAPGSRZVXTQD-LBPRGKRZSA-N 2 1 239.363 0.668 40 0 BCABMP CCO[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000409426763 343798922 /nfs/dbraw/zinc/79/89/22/343798922.db2.gz CXDMXZBXCOCVQI-RYUDHWBXSA-N 2 1 228.336 0.474 40 0 BCABMP CCO[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000409426763 343798924 /nfs/dbraw/zinc/79/89/24/343798924.db2.gz CXDMXZBXCOCVQI-RYUDHWBXSA-N 2 1 228.336 0.474 40 0 BCABMP CO[C@@H]1CCO[C@]2(CCC[N@@H+](CCC[NH3+])C2)C1 ZINC000409426973 343799382 /nfs/dbraw/zinc/79/93/82/343799382.db2.gz DKWDUVJHNCYZOB-CHWSQXEVSA-N 2 1 242.363 0.995 40 0 BCABMP C(C1CC1)[N@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409422215 343812922 /nfs/dbraw/zinc/81/29/22/343812922.db2.gz BXMFUKKNXYSGGE-VXGBXAGGSA-N 2 1 210.321 0.707 40 0 BCABMP COCC[N@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423614 343815822 /nfs/dbraw/zinc/81/58/22/343815822.db2.gz SZHVOIJXPQICLZ-UHFFFAOYSA-N 2 1 236.315 0.986 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409426372 343822593 /nfs/dbraw/zinc/82/25/93/343822593.db2.gz CDUFPKPAHHGJGX-VXGBXAGGSA-N 2 1 212.337 0.820 40 0 BCABMP CC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432026 343825080 /nfs/dbraw/zinc/82/50/80/343825080.db2.gz KNHRFPBYHWYMHA-JQWIXIFHSA-N 2 1 212.337 0.831 40 0 BCABMP CC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432029 343825255 /nfs/dbraw/zinc/82/52/55/343825255.db2.gz KNHRFPBYHWYMHA-ZYHUDNBSSA-N 2 1 212.337 0.831 40 0 BCABMP O[C@H]1CCO[C@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432021 343825313 /nfs/dbraw/zinc/82/53/13/343825313.db2.gz KNFZAUSMOIKRHA-QWHCGFSZSA-N 2 1 240.347 0.354 40 0 BCABMP CCOC[C@@H]1C[N@H+](CC[NH3+])CC1(C)C ZINC000409432649 343827017 /nfs/dbraw/zinc/82/70/17/343827017.db2.gz LMPBQVVEXOHSNO-JTQLQIEISA-N 2 1 200.326 0.940 40 0 BCABMP CCOC[C@@H]1C[N@@H+](CC[NH3+])CC1(C)C ZINC000409432649 343827019 /nfs/dbraw/zinc/82/70/19/343827019.db2.gz LMPBQVVEXOHSNO-JTQLQIEISA-N 2 1 200.326 0.940 40 0 BCABMP [NH3+]CCC[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409436307 343838590 /nfs/dbraw/zinc/83/85/90/343838590.db2.gz ZEIDDGWHZUFZAZ-SFYZADRCSA-N 2 1 226.242 0.438 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409436307 343838592 /nfs/dbraw/zinc/83/85/92/343838592.db2.gz ZEIDDGWHZUFZAZ-SFYZADRCSA-N 2 1 226.242 0.438 40 0 BCABMP CCCCCCOC[C@H](O)C[NH2+]CC[NH3+] ZINC000019368991 347322040 /nfs/dbraw/zinc/32/20/40/347322040.db2.gz ZFVBGANAPWXECO-LLVKDONJSA-N 2 1 218.341 0.493 40 0 BCABMP CCCNc1ncc(C[NH2+]CCC[NH2+]C)cn1 ZINC000062718457 259407968 /nfs/dbraw/zinc/40/79/68/259407968.db2.gz QOTPYSHQHQIBAV-UHFFFAOYSA-N 2 1 237.351 0.998 40 0 BCABMP Cc1nn(C)cc1C[N@@H+](C)CCCC[NH3+] ZINC000096523773 180373428 /nfs/dbraw/zinc/37/34/28/180373428.db2.gz CUCDHZGAOYSMGF-UHFFFAOYSA-N 2 1 210.325 0.899 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419344 188291703 /nfs/dbraw/zinc/29/17/03/188291703.db2.gz OWHBLDUFFFRUGE-QWRGUYRKSA-N 2 1 227.352 0.713 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000237121425 363465940 /nfs/dbraw/zinc/46/59/40/363465940.db2.gz YDPNURNZGXEUBX-LBPRGKRZSA-N 2 1 239.363 0.526 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccncc2)C1 ZINC000074188496 369869053 /nfs/dbraw/zinc/86/90/53/369869053.db2.gz DLDOHIRLUOCARN-VXGBXAGGSA-N 2 1 205.305 0.903 40 0 BCABMP CO[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409434805 383839762 /nfs/dbraw/zinc/83/97/62/383839762.db2.gz QQXSPSAKJAKJGJ-QMMMGPOBSA-N 2 1 226.242 0.988 40 0 BCABMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000409434805 383839766 /nfs/dbraw/zinc/83/97/66/383839766.db2.gz QQXSPSAKJAKJGJ-QMMMGPOBSA-N 2 1 226.242 0.988 40 0 BCABMP CCCCOC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000004547187 384066662 /nfs/dbraw/zinc/06/66/62/384066662.db2.gz MFSFRBQXAOAROL-VIFPVBQESA-N 2 1 202.298 0.786 40 0 BCABMP CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407239 384134834 /nfs/dbraw/zinc/13/48/34/384134834.db2.gz GHQCYMBMHGDENQ-WDEREUQCSA-N 2 1 227.352 0.524 40 0 BCABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000079407557 384136120 /nfs/dbraw/zinc/13/61/20/384136120.db2.gz VDXPIBBHZUJSPU-QWRGUYRKSA-N 2 1 227.352 0.522 40 0 BCABMP C[N@@H+](CC1CC[NH+](CCO)CC1)C1CC1 ZINC000079418933 384141731 /nfs/dbraw/zinc/14/17/31/384141731.db2.gz IWNWFEQKJPBCNC-UHFFFAOYSA-N 2 1 212.337 0.785 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419492 384142606 /nfs/dbraw/zinc/14/26/06/384142606.db2.gz BXZYKXSUWWNZEA-ONGXEEELSA-N 2 1 225.336 0.419 40 0 BCABMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419416 384144193 /nfs/dbraw/zinc/14/41/93/384144193.db2.gz IFBTYPAODSZQII-VHSXEESVSA-N 2 1 213.325 0.275 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079419305 384144209 /nfs/dbraw/zinc/14/42/09/384144209.db2.gz NSGQVMJZISJCPI-SNVBAGLBSA-N 2 1 213.325 0.276 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419509 384144236 /nfs/dbraw/zinc/14/42/36/384144236.db2.gz XJEFNDJOLXCQHN-JQWIXIFHSA-N 2 1 239.363 0.809 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419480 384145005 /nfs/dbraw/zinc/14/50/05/384145005.db2.gz VROROZNMFSWNNI-ONGXEEELSA-N 2 1 225.336 0.419 40 0 BCABMP c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082425214 384307933 /nfs/dbraw/zinc/30/79/33/384307933.db2.gz NJEDZLFHTZHPLT-PHIMTYICSA-N 2 1 203.289 0.733 40 0 BCABMP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082425214 384307940 /nfs/dbraw/zinc/30/79/40/384307940.db2.gz NJEDZLFHTZHPLT-PHIMTYICSA-N 2 1 203.289 0.733 40 0 BCABMP C[N@H+]1CCC[C@@H](CN(CC[NH3+])C2CC2)C1 ZINC000079406380 384493237 /nfs/dbraw/zinc/49/32/37/384493237.db2.gz CIALPHFUFRDTKS-LLVKDONJSA-N 2 1 211.353 0.751 40 0 BCABMP COCC[N@@H+](CCC[NH3+])CCc1ccncc1 ZINC000071224244 384731554 /nfs/dbraw/zinc/73/15/54/384731554.db2.gz KTSZWZGVLDBTKM-UHFFFAOYSA-N 2 1 237.347 0.921 40 0 BCABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCCC1 ZINC000004969400 385182073 /nfs/dbraw/zinc/18/20/73/385182073.db2.gz JGCGWLCTNFEOFM-LBPRGKRZSA-N 2 1 241.379 0.929 40 0 BCABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC1 ZINC000004969423 385182287 /nfs/dbraw/zinc/18/22/87/385182287.db2.gz DIHLACVQLAUSDW-NSHDSACASA-N 2 1 227.352 0.539 40 0 BCABMP CSCC[C@@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000096523842 385267948 /nfs/dbraw/zinc/26/79/48/385267948.db2.gz RZYMZNXQGMTMKD-LLVKDONJSA-N 2 1 231.409 0.704 40 0 BCABMP CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CC[NH+](C)CC2 ZINC000257286444 385761618 /nfs/dbraw/zinc/76/16/18/385761618.db2.gz PLPKJAWZLMDCND-NSHDSACASA-N 2 1 225.336 0.291 40 0 BCABMP CC[NH+](CC)CC[C@H]([NH2+]C)C(=O)NC ZINC000072417727 386090459 /nfs/dbraw/zinc/09/04/59/386090459.db2.gz OJTFODFEYCLNLG-VIFPVBQESA-N 2 1 201.314 0.052 40 0 BCABMP C[C@H]1CCCCN1c1nc(NCC[NH3+])cc[nH+]1 ZINC000409429432 412255690 /nfs/dbraw/zinc/25/56/90/412255690.db2.gz RTLIFURBFIHYAO-JTQLQIEISA-N 2 1 235.335 1.226 40 0 BCABMP [NH3+]CCNc1cc[nH+]c(NC2CCCC2)n1 ZINC000409429777 412298685 /nfs/dbraw/zinc/29/86/85/412298685.db2.gz SWBBFXISLWOKHA-UHFFFAOYSA-N 2 1 221.308 1.202 40 0 BCABMP C[N@H+]1CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020217634 173013274 /nfs/dbraw/zinc/01/32/74/173013274.db2.gz BOUWIZCGCNHTQB-LBPRGKRZSA-N 2 1 211.353 0.766 40 0 BCABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000060258090 173071331 /nfs/dbraw/zinc/07/13/31/173071331.db2.gz NBDXARFHJHZTLW-NSHDSACASA-N 2 1 225.336 0.102 40 0 BCABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000060258090 173071334 /nfs/dbraw/zinc/07/13/34/173071334.db2.gz NBDXARFHJHZTLW-NSHDSACASA-N 2 1 225.336 0.102 40 0 BCABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH2+]CC2 ZINC000096220261 174303474 /nfs/dbraw/zinc/30/34/74/174303474.db2.gz SJPLXTCNVISWSC-LBPRGKRZSA-N 2 1 242.363 0.723 40 0 BCABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH2+]CC2 ZINC000096220259 174304020 /nfs/dbraw/zinc/30/40/20/174304020.db2.gz SJPLXTCNVISWSC-GFCCVEGCSA-N 2 1 242.363 0.723 40 0 BCABMP CC(=O)N[C@H]1C[N@H+](C)C2(C1)CC[NH+](C)CC2 ZINC000257286443 187331044 /nfs/dbraw/zinc/33/10/44/187331044.db2.gz PLPKJAWZLMDCND-LLVKDONJSA-N 2 1 225.336 0.291 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522415 259326356 /nfs/dbraw/zinc/32/63/56/259326356.db2.gz ISBDAGONLADELG-TUAOUCFPSA-N 2 1 212.337 0.831 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463486 398314284 /nfs/dbraw/zinc/31/42/84/398314284.db2.gz DCXKJKJIJXJQFF-SRVKXCTJSA-N 2 1 212.337 0.689 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079407519 187262870 /nfs/dbraw/zinc/26/28/70/187262870.db2.gz GIGLMGBJAUIDLG-NEPJUHHUSA-N 2 1 241.379 0.770 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419622 187263047 /nfs/dbraw/zinc/26/30/47/187263047.db2.gz PPDCLTWNXQQLBR-RYUDHWBXSA-N 2 1 239.363 0.665 40 0 BCABMP c1cc(N2CC[NH2+]CC2)nc(N2CCC2)[nH+]1 ZINC000409427308 343800519 /nfs/dbraw/zinc/80/05/19/343800519.db2.gz IYPPCYRMJLNUDL-UHFFFAOYSA-N 2 1 219.292 0.096 40 0 BCABMP C[N@H+]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409424265 343817277 /nfs/dbraw/zinc/81/72/77/343817277.db2.gz GKQIUIYOFHAUOP-SECBINFHSA-N 2 1 209.297 0.079 40 0 BCABMP CC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432028 343825273 /nfs/dbraw/zinc/82/52/73/343825273.db2.gz KNHRFPBYHWYMHA-PWSUYJOCSA-N 2 1 212.337 0.831 40 0 BCABMP CCOC[C@H]1C[N@H+](CC[NH3+])CC1(C)C ZINC000409432651 343826985 /nfs/dbraw/zinc/82/69/85/343826985.db2.gz LMPBQVVEXOHSNO-SNVBAGLBSA-N 2 1 200.326 0.940 40 0 BCABMP CCOC[C@H]1C[N@@H+](CC[NH3+])CC1(C)C ZINC000409432651 343826988 /nfs/dbraw/zinc/82/69/88/343826988.db2.gz LMPBQVVEXOHSNO-SNVBAGLBSA-N 2 1 200.326 0.940 40 0 BCABMP Cc1nc(N)cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]1 ZINC000409429908 343806544 /nfs/dbraw/zinc/80/65/44/343806544.db2.gz JYXGZDZNEUMPTJ-UWVGGRQHSA-N 2 1 233.319 0.365 40 0 BCABMP Cc1nc(N(C)C)cc(N2CCC([NH3+])CC2)[nH+]1 ZINC000258908921 345787025 /nfs/dbraw/zinc/78/70/25/345787025.db2.gz HGLZURXSMXVAOR-UHFFFAOYSA-N 2 1 235.335 0.779 40 0 BCABMP CCO[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1OC ZINC000409436473 350478625 /nfs/dbraw/zinc/47/86/25/350478625.db2.gz ZZAAKRVVPNQTOU-ZJUUUORDSA-N 2 1 202.298 0.071 40 0 BCABMP [NH3+]CCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409436460 350478707 /nfs/dbraw/zinc/47/87/07/350478707.db2.gz ZXUCPXGHEZZAAX-MRVPVSSYSA-N 2 1 226.242 0.582 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409436460 350478710 /nfs/dbraw/zinc/47/87/10/350478710.db2.gz ZXUCPXGHEZZAAX-MRVPVSSYSA-N 2 1 226.242 0.582 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1C ZINC000079407518 187944112 /nfs/dbraw/zinc/94/41/12/187944112.db2.gz FWIHOBKERAVFDU-NEPJUHHUSA-N 2 1 241.379 0.912 40 0 BCABMP CCCC[N@@H+](CC)C[C@H](O)CN1CC[NH2+]CC1 ZINC000045919759 353277156 /nfs/dbraw/zinc/27/71/56/353277156.db2.gz SXJUFELJVAICJA-ZDUSSCGKSA-N 2 1 243.395 0.375 40 0 BCABMP CC(C)N(C[C@H]1CC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406947 188291379 /nfs/dbraw/zinc/29/13/79/188291379.db2.gz VZLPWAURGYKFNC-JTQLQIEISA-N 2 1 213.325 0.134 40 0 BCABMP CC(C)N(C(=O)C[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000079406955 188291523 /nfs/dbraw/zinc/29/15/23/188291523.db2.gz ITEHCPSXNOLCGE-SNVBAGLBSA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079419309 188292067 /nfs/dbraw/zinc/29/20/67/188292067.db2.gz WHECSIFRZNGWTR-SNVBAGLBSA-N 2 1 213.325 0.134 40 0 BCABMP C1COC2(CC[NH+](C3CC[NH2+]CC3)CC2)O1 ZINC000098213418 188322229 /nfs/dbraw/zinc/32/22/29/188322229.db2.gz NUURVVHHMYYXRR-UHFFFAOYSA-N 2 1 226.320 0.577 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936110 538757133 /nfs/dbraw/zinc/75/71/33/538757133.db2.gz FLWXPGIYDMXMFU-RYUDHWBXSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936110 538757141 /nfs/dbraw/zinc/75/71/41/538757141.db2.gz FLWXPGIYDMXMFU-RYUDHWBXSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000685936110 538757150 /nfs/dbraw/zinc/75/71/50/538757150.db2.gz FLWXPGIYDMXMFU-RYUDHWBXSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000685936110 538757157 /nfs/dbraw/zinc/75/71/57/538757157.db2.gz FLWXPGIYDMXMFU-RYUDHWBXSA-N 2 1 212.337 0.972 40 0 BCABMP CN(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000211534684 358721175 /nfs/dbraw/zinc/72/11/75/358721175.db2.gz RNFZKQZLZIBFTR-RYUDHWBXSA-N 2 1 205.305 0.767 40 0 BCABMP CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000019409614 169201065 /nfs/dbraw/zinc/20/10/65/169201065.db2.gz YUDFWHFONPZFHC-LBPRGKRZSA-N 2 1 239.363 0.683 40 0 BCABMP c1cncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301021 183493761 /nfs/dbraw/zinc/49/37/61/183493761.db2.gz QVYMGYMFILJLRH-RYUDHWBXSA-N 2 1 203.289 0.733 40 0 BCABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415147 384136888 /nfs/dbraw/zinc/13/68/88/384136888.db2.gz MRKSBRCQDFPUEY-CYBMUJFWSA-N 2 1 247.342 0.678 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1C ZINC000079407138 384137130 /nfs/dbraw/zinc/13/71/30/384137130.db2.gz ZJHJSZLYWTUYJI-VHSXEESVSA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)N(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407288 384137372 /nfs/dbraw/zinc/13/73/72/384137372.db2.gz FYIRBHNCISWVJD-WDEREUQCSA-N 2 1 227.352 0.522 40 0 BCABMP C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079424926 384146723 /nfs/dbraw/zinc/14/67/23/384146723.db2.gz SUSXUPCMBSPIBV-WDEREUQCSA-N 2 1 225.336 0.467 40 0 BCABMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH3+])CC1 ZINC000079419322 384143312 /nfs/dbraw/zinc/14/33/12/384143312.db2.gz BDPZGFOSRYPEQB-UHFFFAOYSA-N 2 1 213.325 0.276 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419535 384144938 /nfs/dbraw/zinc/14/49/38/384144938.db2.gz ODYVHPRLYYAJPJ-ZMLRMANQSA-N 2 1 239.363 0.855 40 0 BCABMP C[N@H+](C[C@H]1CCC[NH+](CCO)C1)C1CC1 ZINC000079418930 384145100 /nfs/dbraw/zinc/14/51/00/384145100.db2.gz BEYWAUHRADTXNR-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[N@@H+](C[C@H]1CCC[NH+](CCO)C1)C1CC1 ZINC000079418930 384145104 /nfs/dbraw/zinc/14/51/04/384145104.db2.gz BEYWAUHRADTXNR-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+](C[C@H]1CCC[N@H+](CCO)C1)C1CC1 ZINC000079418930 384145110 /nfs/dbraw/zinc/14/51/10/384145110.db2.gz BEYWAUHRADTXNR-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+](C[C@H]1CCC[N@@H+](CCO)C1)C1CC1 ZINC000079418930 384145119 /nfs/dbraw/zinc/14/51/19/384145119.db2.gz BEYWAUHRADTXNR-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407575 384492358 /nfs/dbraw/zinc/49/23/58/384492358.db2.gz XHGUFNKTRQMTAX-NEPJUHHUSA-N 2 1 241.379 0.770 40 0 BCABMP CC[C@@](C)([C@@H](C[NH3+])CO)[NH+]1CCOCC1 ZINC000072210362 385067088 /nfs/dbraw/zinc/06/70/88/385067088.db2.gz YRZOZNRRONVFET-QWRGUYRKSA-N 2 1 216.325 0.055 40 0 BCABMP O=C(C1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000037826973 385312502 /nfs/dbraw/zinc/31/25/02/385312502.db2.gz WNFNFGJHGISKDF-UHFFFAOYSA-N 2 1 237.347 0.293 40 0 BCABMP C[NH+](C)C[C@@H]1C[C@H](O)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257234380 385755611 /nfs/dbraw/zinc/75/56/11/385755611.db2.gz GTGVCLILIVHDOC-CYDGBPFRSA-N 2 1 242.363 0.144 40 0 BCABMP CC(C)[N@@H+](C)Cc1cnc2n1CCNC2 ZINC000107491737 388616835 /nfs/dbraw/zinc/61/68/35/388616835.db2.gz WUJDWTHZXTZZBC-UHFFFAOYSA-N 2 1 208.309 0.827 40 0 BCABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH2+]C2 ZINC000107491737 388616838 /nfs/dbraw/zinc/61/68/38/388616838.db2.gz WUJDWTHZXTZZBC-UHFFFAOYSA-N 2 1 208.309 0.827 40 0 BCABMP CCOC(=O)[C@@]12CCC[NH2+][C@H]1CC[NH2+]C2 ZINC000044138163 170263389 /nfs/dbraw/zinc/26/33/89/170263389.db2.gz UTPBCDAWLFRZHF-GXSJLCMTSA-N 2 1 212.293 0.281 40 0 BCABMP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CC[NH2+]C2 ZINC000044138161 170286696 /nfs/dbraw/zinc/28/66/96/170286696.db2.gz UTPBCDAWLFRZHF-KOLCDFICSA-N 2 1 212.293 0.281 40 0 BCABMP [NH3+]CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000409430279 412299865 /nfs/dbraw/zinc/29/98/65/412299865.db2.gz VBPDEYHBSUDHPU-UHFFFAOYSA-N 2 1 221.308 0.838 40 0 BCABMP CCn1ncc(C[N@H+](C)CCC[NH3+])c1C ZINC000096523784 172254820 /nfs/dbraw/zinc/25/48/20/172254820.db2.gz URJPGHVIEYOHNV-UHFFFAOYSA-N 2 1 210.325 0.992 40 0 BCABMP CCn1ncc(C[N@@H+](C)CCC[NH3+])c1C ZINC000096523784 172254822 /nfs/dbraw/zinc/25/48/22/172254822.db2.gz URJPGHVIEYOHNV-UHFFFAOYSA-N 2 1 210.325 0.992 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000079407413 176746914 /nfs/dbraw/zinc/74/69/14/176746914.db2.gz APHGHWHMMIIRFT-CMPLNLGQSA-N 2 1 239.363 0.809 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000247989322 187330970 /nfs/dbraw/zinc/33/09/70/187330970.db2.gz JTZCKYZOLYNWBH-QWHCGFSZSA-N 2 1 242.363 0.722 40 0 BCABMP CCOC(=O)[C@H](C[NH3+])[C@@H](C(C)C)[NH+](C)C ZINC000072210488 259316727 /nfs/dbraw/zinc/31/67/27/259316727.db2.gz LZAGWLPBYKXSGT-NXEZZACHSA-N 2 1 216.325 0.711 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543307 259326331 /nfs/dbraw/zinc/32/63/31/259326331.db2.gz JVZFEGVETJRMMF-RYUDHWBXSA-N 2 1 205.305 0.903 40 0 BCABMP CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000095096500 346932872 /nfs/dbraw/zinc/93/28/72/346932872.db2.gz DNIQSYZEBGCNGC-SNVBAGLBSA-N 2 1 209.297 0.394 40 0 BCABMP CC(C)N(CC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 ZINC000079406300 187263117 /nfs/dbraw/zinc/26/31/17/187263117.db2.gz BJHZSMSLDOULJM-GFCCVEGCSA-N 2 1 213.369 0.997 40 0 BCABMP C1OCC12CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000223458360 343793140 /nfs/dbraw/zinc/79/31/40/343793140.db2.gz NNCMSNOJBFFFFC-UHFFFAOYSA-N 2 1 210.321 0.851 40 0 BCABMP CCO[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000409426761 343799188 /nfs/dbraw/zinc/79/91/88/343799188.db2.gz CXDMXZBXCOCVQI-NWDGAFQWSA-N 2 1 228.336 0.474 40 0 BCABMP CCO[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000409426761 343799191 /nfs/dbraw/zinc/79/91/91/343799191.db2.gz CXDMXZBXCOCVQI-NWDGAFQWSA-N 2 1 228.336 0.474 40 0 BCABMP NC(=[NH2+])N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000409432868 343828344 /nfs/dbraw/zinc/82/83/44/343828344.db2.gz WTPXBKRJFRMYNF-QMMMGPOBSA-N 2 1 214.338 0.003 40 0 BCABMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409422587 343813776 /nfs/dbraw/zinc/81/37/76/343813776.db2.gz IGTOKZHXNPYDMC-GHMZBOCLSA-N 2 1 204.273 0.636 40 0 BCABMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000409422589 343814001 /nfs/dbraw/zinc/81/40/01/343814001.db2.gz IGTOKZHXNPYDMC-QWRGUYRKSA-N 2 1 204.273 0.636 40 0 BCABMP CCCCN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000409423061 343814785 /nfs/dbraw/zinc/81/47/85/343814785.db2.gz LDNPDPJTVCJEDK-GFCCVEGCSA-N 2 1 241.379 0.916 40 0 BCABMP CCCCN(C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000409423061 343814787 /nfs/dbraw/zinc/81/47/87/343814787.db2.gz LDNPDPJTVCJEDK-GFCCVEGCSA-N 2 1 241.379 0.916 40 0 BCABMP CC(C)C[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409423236 343814815 /nfs/dbraw/zinc/81/48/15/343814815.db2.gz MTKMILKXAJGUJB-RYUDHWBXSA-N 2 1 212.337 0.953 40 0 BCABMP COC[C@@H]1C[N@@H+](CCC[NH3+])CC1(C)C ZINC000409425620 343819899 /nfs/dbraw/zinc/81/98/99/343819899.db2.gz BACLRCQJCYPHEV-JTQLQIEISA-N 2 1 200.326 0.940 40 0 BCABMP O[C@@H]1CCO[C@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432018 343825319 /nfs/dbraw/zinc/82/53/19/343825319.db2.gz KNFZAUSMOIKRHA-CHWSQXEVSA-N 2 1 240.347 0.354 40 0 BCABMP CCOC[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C ZINC000409432635 343827087 /nfs/dbraw/zinc/82/70/87/343827087.db2.gz LMFCFPZOLHQXRO-QWRGUYRKSA-N 2 1 200.326 0.940 40 0 BCABMP NCc1noc([C@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409439829 343853372 /nfs/dbraw/zinc/85/33/72/343853372.db2.gz IXMZKBJTRGTPBT-JGVFFNPUSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@H]2C[C@H]3CCC[N@@H+]3C2)n1 ZINC000409439829 343853374 /nfs/dbraw/zinc/85/33/74/343853374.db2.gz IXMZKBJTRGTPBT-JGVFFNPUSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409439829 343853375 /nfs/dbraw/zinc/85/33/75/343853375.db2.gz IXMZKBJTRGTPBT-JGVFFNPUSA-N 2 1 208.265 0.480 40 0 BCABMP NCc1noc([C@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409439831 343853438 /nfs/dbraw/zinc/85/34/38/343853438.db2.gz IXMZKBJTRGTPBT-YUMQZZPRSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@H]2C[C@@H]3CCC[N@@H+]3C2)n1 ZINC000409439831 343853440 /nfs/dbraw/zinc/85/34/40/343853440.db2.gz IXMZKBJTRGTPBT-YUMQZZPRSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409439831 343853443 /nfs/dbraw/zinc/85/34/43/343853443.db2.gz IXMZKBJTRGTPBT-YUMQZZPRSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]CC[N@@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409433645 343829771 /nfs/dbraw/zinc/82/97/71/343829771.db2.gz NBDUAAAEAFHTHR-LLVKDONJSA-N 2 1 212.337 0.820 40 0 BCABMP [NH3+]CC[N@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409433645 343829772 /nfs/dbraw/zinc/82/97/72/343829772.db2.gz NBDUAAAEAFHTHR-LLVKDONJSA-N 2 1 212.337 0.820 40 0 BCABMP [NH3+]CCC[N@@H+]1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409436305 343838666 /nfs/dbraw/zinc/83/86/66/343838666.db2.gz ZEIDDGWHZUFZAZ-HTQZYQBOSA-N 2 1 226.242 0.438 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409436305 343838667 /nfs/dbraw/zinc/83/86/67/343838667.db2.gz ZEIDDGWHZUFZAZ-HTQZYQBOSA-N 2 1 226.242 0.438 40 0 BCABMP [NH3+]CCc1noc([C@@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409438027 343849355 /nfs/dbraw/zinc/84/93/55/343849355.db2.gz BUBPGMAXUGDYFL-BDAKNGLRSA-N 2 1 222.292 0.523 40 0 BCABMP [NH3+]CCc1noc([C@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409438032 343849461 /nfs/dbraw/zinc/84/94/61/343849461.db2.gz BUBPGMAXUGDYFL-DTWKUNHWSA-N 2 1 222.292 0.523 40 0 BCABMP C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH2+]C1CC1 ZINC000216250219 259376763 /nfs/dbraw/zinc/37/67/63/259376763.db2.gz BLPDWCVUTIIFNM-PWSUYJOCSA-N 2 1 212.337 0.974 40 0 BCABMP C[N@H+]1CCC[C@H]1Cc1nc(CC[NH3+])no1 ZINC000258051832 345780365 /nfs/dbraw/zinc/78/03/65/345780365.db2.gz PDBYACPCGXLSMD-QMMMGPOBSA-N 2 1 210.281 0.208 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257723011 345781736 /nfs/dbraw/zinc/78/17/36/345781736.db2.gz TYHWLXKIAYOOHF-NEPJUHHUSA-N 2 1 239.363 0.526 40 0 BCABMP CNc1cc(N2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000087805916 345941240 /nfs/dbraw/zinc/94/12/40/345941240.db2.gz SFWSOPPRFOPTDS-UHFFFAOYSA-N 2 1 221.308 0.579 40 0 BCABMP CCO[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1OC ZINC000409436472 350478266 /nfs/dbraw/zinc/47/82/66/350478266.db2.gz ZZAAKRVVPNQTOU-VHSXEESVSA-N 2 1 202.298 0.071 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000079407507 188291654 /nfs/dbraw/zinc/29/16/54/188291654.db2.gz JCPAWXBERRMKNW-MNOVXSKESA-N 2 1 227.352 0.522 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000079407452 188291828 /nfs/dbraw/zinc/29/18/28/188291828.db2.gz AWKZFUDBIYSRKO-UWVGGRQHSA-N 2 1 213.325 0.180 40 0 BCABMP [NH3+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018167 181353010 /nfs/dbraw/zinc/35/30/10/181353010.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 2 1 233.315 0.336 40 0 BCABMP [NH3+]CCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000034650967 181380688 /nfs/dbraw/zinc/38/06/88/181380688.db2.gz QKNHBHAWXBIPFZ-NWDGAFQWSA-N 2 1 247.342 0.616 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccncc2)C1 ZINC000074188493 369867267 /nfs/dbraw/zinc/86/72/67/369867267.db2.gz DLDOHIRLUOCARN-NEPJUHHUSA-N 2 1 205.305 0.903 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407415 384137903 /nfs/dbraw/zinc/13/79/03/384137903.db2.gz ZREKNIHHRZIIQW-WDEREUQCSA-N 2 1 239.363 0.666 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000079407496 384134937 /nfs/dbraw/zinc/13/49/37/384134937.db2.gz RWUFYIGFHGPTBN-ZJUUUORDSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)N(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407290 384135833 /nfs/dbraw/zinc/13/58/33/384135833.db2.gz FYIRBHNCISWVJD-QWRGUYRKSA-N 2 1 227.352 0.522 40 0 BCABMP CC(C)N(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407285 384136246 /nfs/dbraw/zinc/13/62/46/384136246.db2.gz AILVBEINJVIWCI-WDEREUQCSA-N 2 1 227.352 0.665 40 0 BCABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@@H+](C)C1 ZINC000079407272 384137624 /nfs/dbraw/zinc/13/76/24/384137624.db2.gz LFPSXISSXRJOII-VHSXEESVSA-N 2 1 213.325 0.275 40 0 BCABMP [NH3+]C[C@@H](CO)C1([NH+]2CCOCC2)CCCC1 ZINC000072210392 384154062 /nfs/dbraw/zinc/15/40/62/384154062.db2.gz ZGJHSYTWLGIUEQ-NSHDSACASA-N 2 1 228.336 0.199 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419427 384142230 /nfs/dbraw/zinc/14/22/30/384142230.db2.gz CMOGMHHVHYNUEG-QWRGUYRKSA-N 2 1 227.352 0.522 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419486 384142876 /nfs/dbraw/zinc/14/28/76/384142876.db2.gz CUKRQMHIJBTQQN-UWVGGRQHSA-N 2 1 225.336 0.276 40 0 BCABMP C[N@@H+](C[C@@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079419073 384144080 /nfs/dbraw/zinc/14/40/80/384144080.db2.gz RUIVITAIUKRVQM-NSHDSACASA-N 2 1 211.353 0.751 40 0 BCABMP C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CC[NH2+]C1 ZINC000072344060 384207985 /nfs/dbraw/zinc/20/79/85/384207985.db2.gz VSRKBQMYSBPRAU-ZDUSSCGKSA-N 2 1 238.306 0.982 40 0 BCABMP C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CC[NH2+]C1 ZINC000072344060 384207988 /nfs/dbraw/zinc/20/79/88/384207988.db2.gz VSRKBQMYSBPRAU-ZDUSSCGKSA-N 2 1 238.306 0.982 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096240641 384445303 /nfs/dbraw/zinc/44/53/03/384445303.db2.gz JTZCKYZOLYNWBH-STQMWFEESA-N 2 1 242.363 0.722 40 0 BCABMP CC[C@](C)([C@H](C[NH3+])CO)[NH+]1CCOCC1 ZINC000072210365 385068818 /nfs/dbraw/zinc/06/88/18/385068818.db2.gz YRZOZNRRONVFET-GHMZBOCLSA-N 2 1 216.325 0.055 40 0 BCABMP CN(c1cnn(CC[NH3+])c1)C1=[NH+]CCCC1 ZINC000217811493 388382066 /nfs/dbraw/zinc/38/20/66/388382066.db2.gz FXHFIMNXLVDQQR-UHFFFAOYSA-N 2 1 221.308 0.860 40 0 BCABMP C[NH2+]CCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718490 388656006 /nfs/dbraw/zinc/65/60/06/388656006.db2.gz NOCJYRFXJGMNED-UHFFFAOYSA-N 2 1 249.362 0.776 40 0 BCABMP CC[N@@H+]1CCc2nc(NN)[nH+]c(C)c2C1 ZINC000049474131 170024900 /nfs/dbraw/zinc/02/49/00/170024900.db2.gz NWYCOOCNURMCLV-UHFFFAOYSA-N 2 1 207.281 0.449 40 0 BCABMP CC[N@H+]1CCc2nc(NN)[nH+]c(C)c2C1 ZINC000049474131 170024903 /nfs/dbraw/zinc/02/49/03/170024903.db2.gz NWYCOOCNURMCLV-UHFFFAOYSA-N 2 1 207.281 0.449 40 0 BCABMP CCOC(=O)[C@@]12CCC[NH2+][C@@H]1CC[NH2+]C2 ZINC000044138158 170263547 /nfs/dbraw/zinc/26/35/47/170263547.db2.gz UTPBCDAWLFRZHF-MWLCHTKSSA-N 2 1 212.293 0.281 40 0 BCABMP CC[C@H](C)[C@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217795 171396908 /nfs/dbraw/zinc/39/69/08/171396908.db2.gz OIOOWQXSOJKXCN-NWDGAFQWSA-N 2 1 213.369 0.997 40 0 BCABMP C[N@H+]1CCCC[C@@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407049 173005276 /nfs/dbraw/zinc/00/52/76/173005276.db2.gz UKPGQPMLRMFOQH-LLVKDONJSA-N 2 1 225.336 0.420 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000249702793 524822762 /nfs/dbraw/zinc/82/27/62/524822762.db2.gz ZEKNMOYSTCUUIH-DCAQKATOSA-N 2 1 239.363 0.855 40 0 BCABMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[NH2+]C2 ZINC000096068101 631644158 /nfs/dbraw/zinc/64/41/58/631644158.db2.gz QAPPBYWVFBAELT-UHFFFAOYSA-N 2 1 248.330 0.332 40 0 BCABMP CCOC(=O)[C@@H](C[NH3+])[C@H](C(C)C)[NH+](C)C ZINC000072210489 259316803 /nfs/dbraw/zinc/31/68/03/259316803.db2.gz LZAGWLPBYKXSGT-UWVGGRQHSA-N 2 1 216.325 0.711 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463491 398314105 /nfs/dbraw/zinc/31/41/05/398314105.db2.gz DCXKJKJIJXJQFF-WOPDTQHZSA-N 2 1 212.337 0.689 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419447 187263766 /nfs/dbraw/zinc/26/37/66/187263766.db2.gz SXHDLPXFPJVZFD-NWDGAFQWSA-N 2 1 241.379 0.912 40 0 BCABMP C1OC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@H]12 ZINC000409425113 343818075 /nfs/dbraw/zinc/81/80/75/343818075.db2.gz DXXJRGTUQMDICJ-MNOVXSKESA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@H]12 ZINC000409425113 343818076 /nfs/dbraw/zinc/81/80/76/343818076.db2.gz DXXJRGTUQMDICJ-MNOVXSKESA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC000409425112 343818230 /nfs/dbraw/zinc/81/82/30/343818230.db2.gz DXXJRGTUQMDICJ-GHMZBOCLSA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC000409425112 343818232 /nfs/dbraw/zinc/81/82/32/343818232.db2.gz DXXJRGTUQMDICJ-GHMZBOCLSA-N 2 1 210.321 0.707 40 0 BCABMP C[NH+]1C[C@H]2CN(c3cc(N)[nH+]cn3)C[C@@H]2C1 ZINC000409432032 343825103 /nfs/dbraw/zinc/82/51/03/343825103.db2.gz SQSGUNWPRZUINH-IUCAKERBSA-N 2 1 219.292 0.057 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409429431 343805539 /nfs/dbraw/zinc/80/55/39/343805539.db2.gz HKUSBGAKDTYWRT-VXGBXAGGSA-N 2 1 212.337 0.818 40 0 BCABMP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(N)[nH+]1 ZINC000409429894 343806736 /nfs/dbraw/zinc/80/67/36/343806736.db2.gz JYXGZDZNEUMPTJ-AOOOYVTPSA-N 2 1 233.319 0.365 40 0 BCABMP OC[C@]12CCC[C@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409430042 343807266 /nfs/dbraw/zinc/80/72/66/343807266.db2.gz IDZGLLKNRKPLNX-WCQYABFASA-N 2 1 224.348 0.833 40 0 BCABMP C[C@@H](O)[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000409430562 343808740 /nfs/dbraw/zinc/80/87/40/343808740.db2.gz QRNKRPGQSFSCAZ-PWSUYJOCSA-N 2 1 212.337 0.974 40 0 BCABMP C[C@H](O)[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000409430561 343808749 /nfs/dbraw/zinc/80/87/49/343808749.db2.gz QRNKRPGQSFSCAZ-JQWIXIFHSA-N 2 1 212.337 0.974 40 0 BCABMP [NH3+]CCC[N@H+]1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409430725 343809037 /nfs/dbraw/zinc/80/90/37/343809037.db2.gz IXKWAJDLYCPCAJ-NWDGAFQWSA-N 2 1 228.336 0.341 40 0 BCABMP NCc1noc([C@@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409439830 343853542 /nfs/dbraw/zinc/85/35/42/343853542.db2.gz IXMZKBJTRGTPBT-SFYZADRCSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@@H]2C[C@@H]3CCC[N@@H+]3C2)n1 ZINC000409439830 343853545 /nfs/dbraw/zinc/85/35/45/343853545.db2.gz IXMZKBJTRGTPBT-SFYZADRCSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409439830 343853548 /nfs/dbraw/zinc/85/35/48/343853548.db2.gz IXMZKBJTRGTPBT-SFYZADRCSA-N 2 1 208.265 0.480 40 0 BCABMP CO[C@H]1CCO[C@@]2(CC[N@@H+](CCC[NH3+])C2)C1 ZINC000409435770 343839912 /nfs/dbraw/zinc/83/99/12/343839912.db2.gz WMCFOWCZFCLEQX-RYUDHWBXSA-N 2 1 228.336 0.605 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257661904 345780929 /nfs/dbraw/zinc/78/09/29/345780929.db2.gz DKWXAKVNYYPTQG-GHMZBOCLSA-N 2 1 225.336 0.278 40 0 BCABMP [NH3+]CCCN1CCC([NH+]2CCOCC2)CC1 ZINC000257757834 345781665 /nfs/dbraw/zinc/78/16/65/345781665.db2.gz SCVYJPZLLUYWMW-UHFFFAOYSA-N 2 1 227.352 0.132 40 0 BCABMP CCCCCCOC[C@@H](O)C[NH2+]CC[NH3+] ZINC000022859218 350151594 /nfs/dbraw/zinc/15/15/94/350151594.db2.gz ZFVBGANAPWXECO-NSHDSACASA-N 2 1 218.341 0.493 40 0 BCABMP [NH3+]CCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000409436461 350479132 /nfs/dbraw/zinc/47/91/32/350479132.db2.gz ZXUCPXGHEZZAAX-QMMMGPOBSA-N 2 1 226.242 0.582 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000409436461 350479133 /nfs/dbraw/zinc/47/91/33/350479133.db2.gz ZXUCPXGHEZZAAX-QMMMGPOBSA-N 2 1 226.242 0.582 40 0 BCABMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000036189974 188233415 /nfs/dbraw/zinc/23/34/15/188233415.db2.gz LJPRXIHSKAHUJG-LBPRGKRZSA-N 2 1 239.363 0.681 40 0 BCABMP C[N@H+]1CCC[C@@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079407040 188291340 /nfs/dbraw/zinc/29/13/40/188291340.db2.gz FOVDHTDXRIUBJD-SNVBAGLBSA-N 2 1 211.309 0.030 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217837 188354069 /nfs/dbraw/zinc/35/40/69/188354069.db2.gz KPGZIIXNYJNOTA-JTQLQIEISA-N 2 1 213.325 0.134 40 0 BCABMP COCC[N@H+](CCN)C1CCOCC1 ZINC000124336013 358515974 /nfs/dbraw/zinc/51/59/74/358515974.db2.gz BNTQERIYSAVXET-UHFFFAOYSA-N 2 1 202.298 0.073 40 0 BCABMP COCC[N@@H+](CCN)C1CCOCC1 ZINC000124336013 358515977 /nfs/dbraw/zinc/51/59/77/358515977.db2.gz BNTQERIYSAVXET-UHFFFAOYSA-N 2 1 202.298 0.073 40 0 BCABMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCO2 ZINC000211538422 358720970 /nfs/dbraw/zinc/72/09/70/358720970.db2.gz KNRJOLPVBUYOAE-BDAKNGLRSA-N 2 1 206.245 0.429 40 0 BCABMP [NH3+]CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404057 181354547 /nfs/dbraw/zinc/35/45/47/181354547.db2.gz WNNQTIVNLONIOQ-CYBMUJFWSA-N 2 1 247.342 0.583 40 0 BCABMP [NH3+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404072 181353716 /nfs/dbraw/zinc/35/37/16/181353716.db2.gz TWDBPFSITKTFCX-CYBMUJFWSA-N 2 1 247.342 0.726 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407379 384137988 /nfs/dbraw/zinc/13/79/88/384137988.db2.gz YEZVOOKYYZSSNO-VHSXEESVSA-N 2 1 225.336 0.276 40 0 BCABMP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000079407219 384134882 /nfs/dbraw/zinc/13/48/82/384134882.db2.gz QOTRYDVMFBFIOH-VHSXEESVSA-N 2 1 213.325 0.276 40 0 BCABMP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000079407222 384135999 /nfs/dbraw/zinc/13/59/99/384135999.db2.gz QOTRYDVMFBFIOH-UWVGGRQHSA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)N(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407335 384137002 /nfs/dbraw/zinc/13/70/02/384137002.db2.gz ALWHQJQWCWXQJX-RYUDHWBXSA-N 2 1 241.379 0.912 40 0 BCABMP C[N@@H+](C[C@@H]1CCCCN1C(=O)C[NH3+])C1CC1 ZINC000079424919 384146952 /nfs/dbraw/zinc/14/69/52/384146952.db2.gz BZYHZYCWHAIBFT-NSHDSACASA-N 2 1 225.336 0.420 40 0 BCABMP C[N@@H+](C1CC1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424911 384147097 /nfs/dbraw/zinc/14/70/97/384147097.db2.gz ZPWYMGSPVKIPII-SNVBAGLBSA-N 2 1 211.309 0.030 40 0 BCABMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419433 384141602 /nfs/dbraw/zinc/14/16/02/384141602.db2.gz LKGRNPNOGXRISI-WDEREUQCSA-N 2 1 227.352 0.665 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079419020 384144601 /nfs/dbraw/zinc/14/46/01/384144601.db2.gz GJHOPLQEBCJVKA-LBPRGKRZSA-N 2 1 213.369 0.997 40 0 BCABMP C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CC[NH2+]C1 ZINC000072344061 384208543 /nfs/dbraw/zinc/20/85/43/384208543.db2.gz VSRKBQMYSBPRAU-CYBMUJFWSA-N 2 1 238.306 0.982 40 0 BCABMP C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CC[NH2+]C1 ZINC000072344061 384208546 /nfs/dbraw/zinc/20/85/46/384208546.db2.gz VSRKBQMYSBPRAU-CYBMUJFWSA-N 2 1 238.306 0.982 40 0 BCABMP C[C@@H]([NH3+])CN1CC[NH+](C2CCN(C)CC2)CC1 ZINC000096523919 385272739 /nfs/dbraw/zinc/27/27/39/385272739.db2.gz QUBCEUKYJHEVMY-GFCCVEGCSA-N 2 1 240.395 0.045 40 0 BCABMP C(C1CCOCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078570864 388615535 /nfs/dbraw/zinc/61/55/35/388615535.db2.gz SLASAZMRKWCCLM-TXEJJXNPSA-N 2 1 210.321 0.564 40 0 BCABMP C[N@H+]1CC[C@@H](O)[C@@H](CC2CC[NH2+]CC2)C1 ZINC000242495171 388807208 /nfs/dbraw/zinc/80/72/08/388807208.db2.gz FXUPCOUPIFDJHY-NWDGAFQWSA-N 2 1 212.337 0.689 40 0 BCABMP C[C@@H]1CCCCN1c1nc(NCC[NH3+])cc[nH+]1 ZINC000409429437 411835461 /nfs/dbraw/zinc/83/54/61/411835461.db2.gz RTLIFURBFIHYAO-SNVBAGLBSA-N 2 1 235.335 1.226 40 0 BCABMP CN(C(=O)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404129 172307887 /nfs/dbraw/zinc/30/78/87/172307887.db2.gz XVLIVSKTCGLTFP-CYBMUJFWSA-N 2 1 247.342 0.678 40 0 BCABMP C[N@H+]1CC[C@@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828871 173128060 /nfs/dbraw/zinc/12/80/60/173128060.db2.gz GUFDQPOXHREQJA-MRVPVSSYSA-N 2 1 210.281 0.380 40 0 BCABMP COCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531583 174231669 /nfs/dbraw/zinc/23/16/69/174231669.db2.gz BRNKOSJGSVPGAK-UHFFFAOYSA-N 2 1 228.336 0.477 40 0 BCABMP CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C[NH3+])cc1 ZINC000001746675 534962428 /nfs/dbraw/zinc/96/24/28/534962428.db2.gz AFRWRNQNACDMJY-UHFFFAOYSA-N 2 1 246.318 0.331 40 0 BCABMP CNc1cc(N2CCC([NH3+])CC2)[nH+]c(C)n1 ZINC000259026528 342824384 /nfs/dbraw/zinc/82/43/84/342824384.db2.gz SNWPRVQEWHYLSO-UHFFFAOYSA-N 2 1 221.308 0.754 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522416 259326015 /nfs/dbraw/zinc/32/60/15/259326015.db2.gz ISBDAGONLADELG-UTUOFQBUSA-N 2 1 212.337 0.831 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543306 259326038 /nfs/dbraw/zinc/32/60/38/259326038.db2.gz JVZFEGVETJRMMF-NWDGAFQWSA-N 2 1 205.305 0.903 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035222939 343303462 /nfs/dbraw/zinc/30/34/62/343303462.db2.gz CYYISHHAQAKICG-WCQYABFASA-N 2 1 247.342 0.724 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673621 187264715 /nfs/dbraw/zinc/26/47/15/187264715.db2.gz BEZIYXRYOQMVKT-ZJUUUORDSA-N 2 1 213.325 0.180 40 0 BCABMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000037826977 343783269 /nfs/dbraw/zinc/78/32/69/343783269.db2.gz FBEZPUSWJQYELE-LLVKDONJSA-N 2 1 237.347 0.293 40 0 BCABMP CC(C)C[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409423235 343814699 /nfs/dbraw/zinc/81/46/99/343814699.db2.gz MTKMILKXAJGUJB-NWDGAFQWSA-N 2 1 212.337 0.953 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409425346 343819385 /nfs/dbraw/zinc/81/93/85/343819385.db2.gz AJCNNHQRYNFYAL-VHSXEESVSA-N 2 1 204.289 0.378 40 0 BCABMP COC[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409425694 343820160 /nfs/dbraw/zinc/82/01/60/343820160.db2.gz GNGIHPOXQZXAHM-MNOVXSKESA-N 2 1 212.337 0.953 40 0 BCABMP CCOC[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1C ZINC000409432633 343826905 /nfs/dbraw/zinc/82/69/05/343826905.db2.gz LMFCFPZOLHQXRO-GHMZBOCLSA-N 2 1 200.326 0.940 40 0 BCABMP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433472 343832465 /nfs/dbraw/zinc/83/24/65/343832465.db2.gz MVRDCEBVQZDTRX-GHMZBOCLSA-N 2 1 224.308 0.104 40 0 BCABMP O[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435025 343835569 /nfs/dbraw/zinc/83/55/69/343835569.db2.gz SBEGEVHQWRQTOD-CMPLNLGQSA-N 2 1 230.327 0.781 40 0 BCABMP [NH3+]CCc1noc([C@H]2C[C@@H]3CCC[N@H+]3C2)n1 ZINC000409438033 343849485 /nfs/dbraw/zinc/84/94/85/343849485.db2.gz BUBPGMAXUGDYFL-IUCAKERBSA-N 2 1 222.292 0.523 40 0 BCABMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000216250274 259376737 /nfs/dbraw/zinc/37/67/37/259376737.db2.gz ZZJQCKLQXIFZES-PWSUYJOCSA-N 2 1 212.337 0.831 40 0 BCABMP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434221 350472930 /nfs/dbraw/zinc/47/29/30/350472930.db2.gz OPLZGDDRRLENTQ-MNOVXSKESA-N 2 1 224.308 0.104 40 0 BCABMP C[N@H+]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409424268 350475691 /nfs/dbraw/zinc/47/56/91/350475691.db2.gz GKQIUIYOFHAUOP-VIFPVBQESA-N 2 1 209.297 0.079 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079419421 188292299 /nfs/dbraw/zinc/29/22/99/188292299.db2.gz IPDRZGHDKJWWRK-QWRGUYRKSA-N 2 1 227.352 0.665 40 0 BCABMP C(C1CC1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531553 188321568 /nfs/dbraw/zinc/32/15/68/188321568.db2.gz RAGLPHWEVRGDQF-UHFFFAOYSA-N 2 1 210.321 0.851 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000237111864 363465784 /nfs/dbraw/zinc/46/57/84/363465784.db2.gz YDPNURNZGXEUBX-GFCCVEGCSA-N 2 1 239.363 0.526 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936109 538756389 /nfs/dbraw/zinc/75/63/89/538756389.db2.gz FLWXPGIYDMXMFU-NWDGAFQWSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936109 538756396 /nfs/dbraw/zinc/75/63/96/538756396.db2.gz FLWXPGIYDMXMFU-NWDGAFQWSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936109 538756402 /nfs/dbraw/zinc/75/64/02/538756402.db2.gz FLWXPGIYDMXMFU-NWDGAFQWSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936109 538756406 /nfs/dbraw/zinc/75/64/06/538756406.db2.gz FLWXPGIYDMXMFU-NWDGAFQWSA-N 2 1 212.337 0.972 40 0 BCABMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000083825848 183348935 /nfs/dbraw/zinc/34/89/35/183348935.db2.gz UMACXFDMVHHELO-TXEJJXNPSA-N 2 1 203.289 0.733 40 0 BCABMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000083825848 183348938 /nfs/dbraw/zinc/34/89/38/183348938.db2.gz UMACXFDMVHHELO-TXEJJXNPSA-N 2 1 203.289 0.733 40 0 BCABMP CCN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407199 384135721 /nfs/dbraw/zinc/13/57/21/384135721.db2.gz VTDUWTNWSKWRBA-VHSXEESVSA-N 2 1 213.325 0.276 40 0 BCABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000079407600 384135940 /nfs/dbraw/zinc/13/59/40/384135940.db2.gz NKCXJYQXZIKVJK-RYUDHWBXSA-N 2 1 241.379 0.912 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407382 384136084 /nfs/dbraw/zinc/13/60/84/384136084.db2.gz YEZVOOKYYZSSNO-UWVGGRQHSA-N 2 1 225.336 0.276 40 0 BCABMP CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407579 384137149 /nfs/dbraw/zinc/13/71/49/384137149.db2.gz XHGUFNKTRQMTAX-RYUDHWBXSA-N 2 1 241.379 0.770 40 0 BCABMP CC[N@@H+](CCO)C[C@@H]1CCC[NH+](C)C1 ZINC000079405969 384137705 /nfs/dbraw/zinc/13/77/05/384137705.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 2 1 200.326 0.642 40 0 BCABMP CC[NH+](CCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000079405969 384137716 /nfs/dbraw/zinc/13/77/16/384137716.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 2 1 200.326 0.642 40 0 BCABMP CC[NH+](CCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079405969 384137720 /nfs/dbraw/zinc/13/77/20/384137720.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 2 1 200.326 0.642 40 0 BCABMP CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406902 384138163 /nfs/dbraw/zinc/13/81/63/384138163.db2.gz LCPUODCYPCBBBH-SNVBAGLBSA-N 2 1 213.325 0.135 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419379 384141790 /nfs/dbraw/zinc/14/17/90/384141790.db2.gz SUSXUPCMBSPIBV-QWRGUYRKSA-N 2 1 225.336 0.467 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419533 384143611 /nfs/dbraw/zinc/14/36/11/384143611.db2.gz ODYVHPRLYYAJPJ-MVWJERBFSA-N 2 1 239.363 0.855 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC000079419565 384143683 /nfs/dbraw/zinc/14/36/83/384143683.db2.gz YPXCUZPYUJMYDU-RYUDHWBXSA-N 2 1 241.379 0.911 40 0 BCABMP Cn1cc[nH+]c1CC1CC[NH+](CCO)CC1 ZINC000072381354 384216241 /nfs/dbraw/zinc/21/62/41/384216241.db2.gz OIRREYBECDJWGX-UHFFFAOYSA-N 2 1 223.320 0.667 40 0 BCABMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000096249678 384446028 /nfs/dbraw/zinc/44/60/28/384446028.db2.gz HLTHHXFZRNWOMW-ZIAGYGMSSA-N 2 1 247.342 0.892 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@H+]1C ZINC000079407509 384492522 /nfs/dbraw/zinc/49/25/22/384492522.db2.gz FWIHOBKERAVFDU-RYUDHWBXSA-N 2 1 241.379 0.912 40 0 BCABMP c1cncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088301019 384652467 /nfs/dbraw/zinc/65/24/67/384652467.db2.gz QVYMGYMFILJLRH-VXGBXAGGSA-N 2 1 203.289 0.733 40 0 BCABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCCC1 ZINC000004969402 385180366 /nfs/dbraw/zinc/18/03/66/385180366.db2.gz JGCGWLCTNFEOFM-GFCCVEGCSA-N 2 1 241.379 0.929 40 0 BCABMP C[NH2+]CCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062718440 385726392 /nfs/dbraw/zinc/72/63/92/385726392.db2.gz VQWQBRKMAVYTSQ-UHFFFAOYSA-N 2 1 237.351 0.996 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000247989321 386738274 /nfs/dbraw/zinc/73/82/74/386738274.db2.gz JTZCKYZOLYNWBH-CHWSQXEVSA-N 2 1 242.363 0.722 40 0 BCABMP c1cc(N2CC[NH2+]CC2)nc(N2CCCC2)[nH+]1 ZINC000084518702 387450847 /nfs/dbraw/zinc/45/08/47/387450847.db2.gz NDLRILBJDPEPJO-UHFFFAOYSA-N 2 1 233.319 0.486 40 0 BCABMP C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH2+]C1CC1 ZINC000108020831 388610984 /nfs/dbraw/zinc/61/09/84/388610984.db2.gz BLPDWCVUTIIFNM-JQWIXIFHSA-N 2 1 212.337 0.974 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463781 388743201 /nfs/dbraw/zinc/74/32/01/388743201.db2.gz DLDOHIRLUOCARN-RYUDHWBXSA-N 2 1 205.305 0.903 40 0 BCABMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262263897 135288605 /nfs/dbraw/zinc/28/86/05/135288605.db2.gz RQQROJXUTSLFCC-LBPRGKRZSA-N 2 1 237.347 0.435 40 0 BCABMP CCn1cc(C[N@H+](C)CCC[NH3+])c(C)n1 ZINC000096523788 172160817 /nfs/dbraw/zinc/16/08/17/172160817.db2.gz GYTGGCYXMUXDND-UHFFFAOYSA-N 2 1 210.325 0.992 40 0 BCABMP CCn1cc(C[N@@H+](C)CCC[NH3+])c(C)n1 ZINC000096523788 172160819 /nfs/dbraw/zinc/16/08/19/172160819.db2.gz GYTGGCYXMUXDND-UHFFFAOYSA-N 2 1 210.325 0.992 40 0 BCABMP C[N@@H+]1CCC[C@@H]1c1nnc(CCC[NH3+])o1 ZINC000095828855 173035299 /nfs/dbraw/zinc/03/52/99/173035299.db2.gz QIAFNZKRBXIHFN-MRVPVSSYSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CCC[C@@H]1c1nnc(CCC[NH3+])o1 ZINC000095828855 173035301 /nfs/dbraw/zinc/03/53/01/173035301.db2.gz QIAFNZKRBXIHFN-MRVPVSSYSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CCC[C@H](CN(CC[NH3+])C2CC2)C1 ZINC000079406375 173042618 /nfs/dbraw/zinc/04/26/18/173042618.db2.gz CIALPHFUFRDTKS-NSHDSACASA-N 2 1 211.353 0.751 40 0 BCABMP C[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000019482423 173067457 /nfs/dbraw/zinc/06/74/57/173067457.db2.gz FQLUBMKVEPJNAQ-ZDUSSCGKSA-N 2 1 247.342 0.851 40 0 BCABMP COCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531560 174311282 /nfs/dbraw/zinc/31/12/82/174311282.db2.gz DFLOYUOFMMRRJN-UHFFFAOYSA-N 2 1 214.309 0.087 40 0 BCABMP COCC[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306128706 174311406 /nfs/dbraw/zinc/31/14/06/174311406.db2.gz HIRJBYRCNGLWDJ-GFCCVEGCSA-N 2 1 228.336 0.335 40 0 BCABMP COCC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306128706 174311408 /nfs/dbraw/zinc/31/14/08/174311408.db2.gz HIRJBYRCNGLWDJ-GFCCVEGCSA-N 2 1 228.336 0.335 40 0 BCABMP C[C@@H]1C[C@H](NCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102759960 177238497 /nfs/dbraw/zinc/23/84/97/177238497.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@@H]1C[C@H]([NH2+]CCN(C)C)[C@@H](C)C[N@@H+]1C ZINC000102759960 177238499 /nfs/dbraw/zinc/23/84/99/177238499.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@@H]1C[C@H]([NH2+]CCN(C)C)[C@@H](C)C[N@H+]1C ZINC000102759960 177238500 /nfs/dbraw/zinc/23/85/00/177238500.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 2 1 213.369 0.866 40 0 BCABMP CC[N@H+](Cc1ccncc1)C[C@@]1(O)CC[NH2+]C1 ZINC000072344063 343979311 /nfs/dbraw/zinc/97/93/11/343979311.db2.gz BVKDPLUSFOZOKL-CYBMUJFWSA-N 2 1 235.331 0.628 40 0 BCABMP CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CC[NH2+]C1 ZINC000072344063 343979314 /nfs/dbraw/zinc/97/93/14/343979314.db2.gz BVKDPLUSFOZOKL-CYBMUJFWSA-N 2 1 235.331 0.628 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000079407709 187262966 /nfs/dbraw/zinc/26/29/66/187262966.db2.gz RXWBCVMMDVDYHM-NEPJUHHUSA-N 2 1 239.363 0.665 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000079420052 187263000 /nfs/dbraw/zinc/26/30/00/187263000.db2.gz DKMIAZCBSZVMSL-ZJUUUORDSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000079420052 187263002 /nfs/dbraw/zinc/26/30/02/187263002.db2.gz DKMIAZCBSZVMSL-ZJUUUORDSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[N@@H+](C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079419338 187263109 /nfs/dbraw/zinc/26/31/09/187263109.db2.gz QURGNXSTQKULGJ-UHFFFAOYSA-N 2 1 227.352 0.713 40 0 BCABMP CC(C)N(CC[NH3+])C[C@H]1CCC[N@@H+](C)C1 ZINC000079406306 187263232 /nfs/dbraw/zinc/26/32/32/187263232.db2.gz BJHZSMSLDOULJM-LBPRGKRZSA-N 2 1 213.369 0.997 40 0 BCABMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000037816776 343783480 /nfs/dbraw/zinc/78/34/80/343783480.db2.gz LVHVXBTUGHVGFM-LBPRGKRZSA-N 2 1 237.347 0.293 40 0 BCABMP CNc1cc(N2CCC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000128151559 343787195 /nfs/dbraw/zinc/78/71/95/343787195.db2.gz FYFVVNGILLULLI-UHFFFAOYSA-N 2 1 235.335 0.969 40 0 BCABMP [NH3+]CCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000308474864 343790157 /nfs/dbraw/zinc/79/01/57/343790157.db2.gz KQXBOXSETKSVHE-ZETCQYMHSA-N 2 1 212.215 0.334 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000308474864 343790158 /nfs/dbraw/zinc/79/01/58/343790158.db2.gz KQXBOXSETKSVHE-ZETCQYMHSA-N 2 1 212.215 0.334 40 0 BCABMP CC(=O)N1CCC([N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000310060004 343790629 /nfs/dbraw/zinc/79/06/29/343790629.db2.gz KPCAPGSRZVXTQD-GFCCVEGCSA-N 2 1 239.363 0.668 40 0 BCABMP CO[C@@H]1CCO[C@@]2(CCC[N@@H+](CCC[NH3+])C2)C1 ZINC000409426974 343799741 /nfs/dbraw/zinc/79/97/41/343799741.db2.gz DKWDUVJHNCYZOB-OLZOCXBDSA-N 2 1 242.363 0.995 40 0 BCABMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000409422590 343813993 /nfs/dbraw/zinc/81/39/93/343813993.db2.gz IGTOKZHXNPYDMC-WDEREUQCSA-N 2 1 204.273 0.636 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@H](O)[C@@H](CCF)C1 ZINC000409425344 343819327 /nfs/dbraw/zinc/81/93/27/343819327.db2.gz AJCNNHQRYNFYAL-UWVGGRQHSA-N 2 1 204.289 0.378 40 0 BCABMP O[C@H]1CCO[C@@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432022 343825304 /nfs/dbraw/zinc/82/53/04/343825304.db2.gz KNFZAUSMOIKRHA-STQMWFEESA-N 2 1 240.347 0.354 40 0 BCABMP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000409433485 343832479 /nfs/dbraw/zinc/83/24/79/343832479.db2.gz MVRDCEBVQZDTRX-QWRGUYRKSA-N 2 1 224.308 0.104 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434646 343834505 /nfs/dbraw/zinc/83/45/05/343834505.db2.gz PYONUMUNYDRNDE-NSHDSACASA-N 2 1 212.337 0.820 40 0 BCABMP O[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@H]1CCF ZINC000409435028 343835761 /nfs/dbraw/zinc/83/57/61/343835761.db2.gz SBEGEVHQWRQTOD-ZYHUDNBSSA-N 2 1 230.327 0.781 40 0 BCABMP [NH3+]CCC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409436306 343838603 /nfs/dbraw/zinc/83/86/03/343838603.db2.gz ZEIDDGWHZUFZAZ-JGVFFNPUSA-N 2 1 226.242 0.438 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409436306 343838604 /nfs/dbraw/zinc/83/86/04/343838604.db2.gz ZEIDDGWHZUFZAZ-JGVFFNPUSA-N 2 1 226.242 0.438 40 0 BCABMP CO[C@@H]1CCO[C@@]2(CC[N@@H+](CCC[NH3+])C2)C1 ZINC000409435768 343840141 /nfs/dbraw/zinc/84/01/41/343840141.db2.gz WMCFOWCZFCLEQX-NEPJUHHUSA-N 2 1 228.336 0.605 40 0 BCABMP CCO[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1OCC ZINC000409435804 343840182 /nfs/dbraw/zinc/84/01/82/343840182.db2.gz WOXFNCZICQYRQP-PHIMTYICSA-N 2 1 216.325 0.461 40 0 BCABMP C[NH+]1CCN(c2ccc([C@H](O)C[NH3+])o2)CC1 ZINC000409442677 343863635 /nfs/dbraw/zinc/86/36/35/343863635.db2.gz ZBDWGWKGIYHDAX-SECBINFHSA-N 2 1 225.292 0.024 40 0 BCABMP NC(=[NH2+])N1CC[NH+](CCc2ccccc2)CC1 ZINC000033884801 181188554 /nfs/dbraw/zinc/18/85/54/181188554.db2.gz LDYMDAHCRHVHIM-UHFFFAOYSA-N 2 1 232.331 0.740 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000237112046 363465199 /nfs/dbraw/zinc/46/51/99/363465199.db2.gz TYHWLXKIAYOOHF-NWDGAFQWSA-N 2 1 239.363 0.526 40 0 BCABMP CC[C@@H](C)[C@@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217792 368977178 /nfs/dbraw/zinc/97/71/78/368977178.db2.gz OIOOWQXSOJKXCN-NEPJUHHUSA-N 2 1 213.369 0.997 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000079407504 384135232 /nfs/dbraw/zinc/13/52/32/384135232.db2.gz JCPAWXBERRMKNW-QWRGUYRKSA-N 2 1 227.352 0.522 40 0 BCABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000079407592 384135546 /nfs/dbraw/zinc/13/55/46/384135546.db2.gz NKCXJYQXZIKVJK-NEPJUHHUSA-N 2 1 241.379 0.912 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000079407376 384135694 /nfs/dbraw/zinc/13/56/94/384135694.db2.gz LTMWWOFMNUWZPW-GXSJLCMTSA-N 2 1 225.336 0.419 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407417 384135708 /nfs/dbraw/zinc/13/57/08/384135708.db2.gz ZREKNIHHRZIIQW-QWRGUYRKSA-N 2 1 239.363 0.666 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000079407387 384136270 /nfs/dbraw/zinc/13/62/70/384136270.db2.gz HNGGYBXVWVGZEZ-GXSJLCMTSA-N 2 1 225.336 0.419 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000079407152 384136685 /nfs/dbraw/zinc/13/66/85/384136685.db2.gz KCGIYIVTOJXTEM-UWVGGRQHSA-N 2 1 213.325 0.134 40 0 BCABMP C[N@@H+](C1CC1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079430295 384146646 /nfs/dbraw/zinc/14/66/46/384146646.db2.gz MBGOCQJKVLQHJV-UHFFFAOYSA-N 2 1 225.336 0.467 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079419023 384142790 /nfs/dbraw/zinc/14/27/90/384142790.db2.gz GJHOPLQEBCJVKA-GFCCVEGCSA-N 2 1 213.369 0.997 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079419328 384143863 /nfs/dbraw/zinc/14/38/63/384143863.db2.gz YPFKVPFHGAPQJY-LLVKDONJSA-N 2 1 227.352 0.666 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178282 384282808 /nfs/dbraw/zinc/28/28/08/384282808.db2.gz MBGOCQJKVLQHJV-AOOOYVTPSA-N 2 1 225.336 0.467 40 0 BCABMP CC(C)N1CCCn2c(CN(C)C)nnc2C1 ZINC000096084748 384434799 /nfs/dbraw/zinc/43/47/99/384434799.db2.gz GZUVONXEPPAVHQ-UHFFFAOYSA-N 2 1 237.351 0.954 40 0 BCABMP C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000060257983 385072252 /nfs/dbraw/zinc/07/22/52/385072252.db2.gz CJJGXBSKAVXLRN-UHFFFAOYSA-N 2 1 239.363 0.492 40 0 BCABMP [NH3+]C[C@@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000096523586 385268261 /nfs/dbraw/zinc/26/82/61/385268261.db2.gz ZJOXBCFRRUIQKQ-ZDUSSCGKSA-N 2 1 241.379 0.522 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000409422654 385330033 /nfs/dbraw/zinc/33/00/33/385330033.db2.gz HFRPGOKKGLQJBY-JTQLQIEISA-N 2 1 225.336 0.278 40 0 BCABMP c1cc(N2CCC[NH2+]CC2)nc(N2CCC2)[nH+]1 ZINC000409430974 385330614 /nfs/dbraw/zinc/33/06/14/385330614.db2.gz XSYROKVMTVUTSQ-UHFFFAOYSA-N 2 1 233.319 0.486 40 0 BCABMP C[NH2+]CCC[NH2+]Cc1cnc(SC)nc1 ZINC000062718324 385726405 /nfs/dbraw/zinc/72/64/05/385726405.db2.gz RVXWHVTZQDEETA-UHFFFAOYSA-N 2 1 226.349 0.898 40 0 BCABMP CCCC[N@@H+](C)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000064875803 388672384 /nfs/dbraw/zinc/67/23/84/388672384.db2.gz ZWCNNIQFWKTYRY-CYBMUJFWSA-N 2 1 243.395 0.375 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@@H](CC2CC[NH2+]CC2)C1 ZINC000242495172 388806169 /nfs/dbraw/zinc/80/61/69/388806169.db2.gz FXUPCOUPIFDJHY-RYUDHWBXSA-N 2 1 212.337 0.689 40 0 BCABMP C[N@H+]1CC[C@@H](O)[C@H](CC2CC[NH2+]CC2)C1 ZINC000242495173 388806558 /nfs/dbraw/zinc/80/65/58/388806558.db2.gz FXUPCOUPIFDJHY-VXGBXAGGSA-N 2 1 212.337 0.689 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@H](CC2CC[NH2+]CC2)C1 ZINC000242495170 388806733 /nfs/dbraw/zinc/80/67/33/388806733.db2.gz FXUPCOUPIFDJHY-NEPJUHHUSA-N 2 1 212.337 0.689 40 0 BCABMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000252486513 135093099 /nfs/dbraw/zinc/09/30/99/135093099.db2.gz KMGUHEOVXWBQHK-QWRGUYRKSA-N 2 1 200.326 0.817 40 0 BCABMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000252486513 135093101 /nfs/dbraw/zinc/09/31/01/135093101.db2.gz KMGUHEOVXWBQHK-QWRGUYRKSA-N 2 1 200.326 0.817 40 0 BCABMP C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000261584348 135225141 /nfs/dbraw/zinc/22/51/41/135225141.db2.gz PRSINHMGGDOQEU-SECBINFHSA-N 2 1 211.309 0.030 40 0 BCABMP CN(C)c1nc(N2CCC[NH2+]CC2)cc[nH+]1 ZINC000082924170 398042126 /nfs/dbraw/zinc/04/21/26/398042126.db2.gz HQZAYCXIEHKGBJ-UHFFFAOYSA-N 2 1 221.308 0.342 40 0 BCABMP CCOC(=O)[C@H](C[NH3+])[C@@](C)(CC)[NH+](C)C ZINC000072210427 322906368 /nfs/dbraw/zinc/90/63/68/322906368.db2.gz JFBVUDIRGUTJRG-GXSJLCMTSA-N 2 1 216.325 0.855 40 0 BCABMP CCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042835 170099638 /nfs/dbraw/zinc/09/96/38/170099638.db2.gz OPXZEYRARUSRTO-LLVKDONJSA-N 2 1 225.336 0.339 40 0 BCABMP CCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042835 170099639 /nfs/dbraw/zinc/09/96/39/170099639.db2.gz OPXZEYRARUSRTO-LLVKDONJSA-N 2 1 225.336 0.339 40 0 BCABMP C[N@H+]1CCCC[C@H]1CN(CC[NH3+])C1CC1 ZINC000079406369 173006586 /nfs/dbraw/zinc/00/65/86/173006586.db2.gz AFRWSEIPOOWDDD-LBPRGKRZSA-N 2 1 211.353 0.894 40 0 BCABMP C[N@H+]1CCC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828885 173048856 /nfs/dbraw/zinc/04/88/56/173048856.db2.gz RCFIMXTVQPKQJE-VIFPVBQESA-N 2 1 224.308 0.770 40 0 BCABMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000095095613 173067232 /nfs/dbraw/zinc/06/72/32/173067232.db2.gz KJARMSMFZXIAOG-NSHDSACASA-N 2 1 225.336 0.293 40 0 BCABMP C[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019482421 173067337 /nfs/dbraw/zinc/06/73/37/173067337.db2.gz FQLUBMKVEPJNAQ-CYBMUJFWSA-N 2 1 247.342 0.851 40 0 BCABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000060258088 173069980 /nfs/dbraw/zinc/06/99/80/173069980.db2.gz NBDXARFHJHZTLW-LLVKDONJSA-N 2 1 225.336 0.102 40 0 BCABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000060258088 173069982 /nfs/dbraw/zinc/06/99/82/173069982.db2.gz NBDXARFHJHZTLW-LLVKDONJSA-N 2 1 225.336 0.102 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379345 173148102 /nfs/dbraw/zinc/14/81/02/173148102.db2.gz JVZFEGVETJRMMF-NEPJUHHUSA-N 2 1 205.305 0.903 40 0 BCABMP C[NH+]1CCN(c2cccc(NN)[nH+]2)CC1 ZINC000039957378 523927888 /nfs/dbraw/zinc/92/78/88/523927888.db2.gz VKDJTQMTXTYWOL-UHFFFAOYSA-N 2 1 207.281 0.119 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463487 398314140 /nfs/dbraw/zinc/31/41/40/398314140.db2.gz DCXKJKJIJXJQFF-TUAOUCFPSA-N 2 1 212.337 0.689 40 0 BCABMP CC(C)N(C[C@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406969 187263600 /nfs/dbraw/zinc/26/36/00/187263600.db2.gz FTAVDGTUWKRVMD-LLVKDONJSA-N 2 1 227.352 0.666 40 0 BCABMP CCO[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1OC ZINC000409426751 343798848 /nfs/dbraw/zinc/79/88/48/343798848.db2.gz CXDMXZBXCOCVQI-NEPJUHHUSA-N 2 1 228.336 0.474 40 0 BCABMP CCO[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1OC ZINC000409426751 343798850 /nfs/dbraw/zinc/79/88/50/343798850.db2.gz CXDMXZBXCOCVQI-NEPJUHHUSA-N 2 1 228.336 0.474 40 0 BCABMP CCOC[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1C ZINC000409432634 343827237 /nfs/dbraw/zinc/82/72/37/343827237.db2.gz LMFCFPZOLHQXRO-MNOVXSKESA-N 2 1 200.326 0.940 40 0 BCABMP Cc1nc(N)cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC000409429900 343806688 /nfs/dbraw/zinc/80/66/88/343806688.db2.gz JYXGZDZNEUMPTJ-NXEZZACHSA-N 2 1 233.319 0.365 40 0 BCABMP OC[C@@]12CCC[C@@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409430043 343807167 /nfs/dbraw/zinc/80/71/67/343807167.db2.gz IDZGLLKNRKPLNX-YPMHNXCESA-N 2 1 224.348 0.833 40 0 BCABMP C[C@@H](O)[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000409430563 343808531 /nfs/dbraw/zinc/80/85/31/343808531.db2.gz QRNKRPGQSFSCAZ-ZYHUDNBSSA-N 2 1 212.337 0.974 40 0 BCABMP O[C@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435026 343835742 /nfs/dbraw/zinc/83/57/42/343835742.db2.gz SBEGEVHQWRQTOD-JQWIXIFHSA-N 2 1 230.327 0.781 40 0 BCABMP CC(C)N(C)Cc1nnc2n1CCCNC2 ZINC000096259709 187288986 /nfs/dbraw/zinc/28/89/86/187288986.db2.gz IWVDIACLEGUVSN-UHFFFAOYSA-N 2 1 223.324 0.612 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158307266 344266685 /nfs/dbraw/zinc/26/66/85/344266685.db2.gz DKWXAKVNYYPTQG-QWRGUYRKSA-N 2 1 225.336 0.278 40 0 BCABMP Cc1nc(N)cc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000087810404 345941854 /nfs/dbraw/zinc/94/18/54/345941854.db2.gz LUALHQJYQQRKTA-UHFFFAOYSA-N 2 1 221.308 0.873 40 0 BCABMP Cc1nc(N)cc(NCCC[NH+](C)C)[nH+]1 ZINC000087808292 345941943 /nfs/dbraw/zinc/94/19/43/345941943.db2.gz RAPPUNVBTBOGOP-UHFFFAOYSA-N 2 1 209.297 0.731 40 0 BCABMP CCCC[N@@H+](CC)C[C@@H](O)CN1CC[NH2+]CC1 ZINC000045919761 350041941 /nfs/dbraw/zinc/04/19/41/350041941.db2.gz SXJUFELJVAICJA-CYBMUJFWSA-N 2 1 243.395 0.375 40 0 BCABMP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434222 350473533 /nfs/dbraw/zinc/47/35/33/350473533.db2.gz OPLZGDDRRLENTQ-QWRGUYRKSA-N 2 1 224.308 0.104 40 0 BCABMP CO[C@@H]1CCO[C@]2(CC[N@@H+](CCC[NH3+])C2)C1 ZINC000409435771 350478906 /nfs/dbraw/zinc/47/89/06/350478906.db2.gz WMCFOWCZFCLEQX-VXGBXAGGSA-N 2 1 228.336 0.605 40 0 BCABMP CC(C)[N@H+](CCO)C[C@H]1CC[NH+](C)C1 ZINC000079406031 188312361 /nfs/dbraw/zinc/31/23/61/188312361.db2.gz JOVVPVUGQBVIET-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[N@@H+](CCO)C[C@H]1CC[NH+](C)C1 ZINC000079406031 188312363 /nfs/dbraw/zinc/31/23/63/188312363.db2.gz JOVVPVUGQBVIET-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](CCO)C[C@H]1CC[N@H+](C)C1 ZINC000079406031 188312365 /nfs/dbraw/zinc/31/23/65/188312365.db2.gz JOVVPVUGQBVIET-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](CCO)C[C@H]1CC[N@@H+](C)C1 ZINC000079406031 188312367 /nfs/dbraw/zinc/31/23/67/188312367.db2.gz JOVVPVUGQBVIET-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)OCO2 ZINC000211538341 358721029 /nfs/dbraw/zinc/72/10/29/358721029.db2.gz KNRJOLPVBUYOAE-IUCAKERBSA-N 2 1 206.245 0.429 40 0 BCABMP CN(C)c1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])cc1 ZINC000211534830 358721404 /nfs/dbraw/zinc/72/14/04/358721404.db2.gz RNFZKQZLZIBFTR-VXGBXAGGSA-N 2 1 205.305 0.767 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CC[C@@H](NC(=O)C[NH3+])CC1 ZINC000150150161 368352355 /nfs/dbraw/zinc/35/23/55/368352355.db2.gz QURGNXSTQKULGJ-XYPYZODXSA-N 2 1 227.352 0.713 40 0 BCABMP N[C@@H](CCCCC[NH3+])[C@@H]([NH3+])CCCCC[NH3+] ZINC000167725078 368352619 /nfs/dbraw/zinc/35/26/19/368352619.db2.gz IBFISXWMMUEZCG-RYUDHWBXSA-N 3 1 230.400 0.679 40 0 BCABMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000110763440 369977845 /nfs/dbraw/zinc/97/78/45/369977845.db2.gz KMGUHEOVXWBQHK-MNOVXSKESA-N 2 1 200.326 0.817 40 0 BCABMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000110763440 369977849 /nfs/dbraw/zinc/97/78/49/369977849.db2.gz KMGUHEOVXWBQHK-MNOVXSKESA-N 2 1 200.326 0.817 40 0 BCABMP C[NH+]1CCC(C[N@@H+](CCN)C2CC2)CC1 ZINC000079406383 384136177 /nfs/dbraw/zinc/13/61/77/384136177.db2.gz JTJHSGYZWORLDU-UHFFFAOYSA-N 2 1 211.353 0.751 40 0 BCABMP C[NH+]1CCC(CN(CC[NH3+])C2CC2)CC1 ZINC000079406383 384136181 /nfs/dbraw/zinc/13/61/81/384136181.db2.gz JTJHSGYZWORLDU-UHFFFAOYSA-N 2 1 211.353 0.751 40 0 BCABMP C[N@@H+](C[C@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079419366 384143977 /nfs/dbraw/zinc/14/39/77/384143977.db2.gz HUKSUYKXKDHYBA-SNVBAGLBSA-N 2 1 211.309 0.030 40 0 BCABMP C[N@@H+](C[C@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079419069 384145523 /nfs/dbraw/zinc/14/55/23/384145523.db2.gz CJEDYCUQUSQVCJ-GFCCVEGCSA-N 2 1 211.353 0.894 40 0 BCABMP C[NH+]1CCC(C[N@@H+](CCO)C2CC2)CC1 ZINC000083318654 384289688 /nfs/dbraw/zinc/28/96/88/384289688.db2.gz YXQDLGMNKWEIBK-UHFFFAOYSA-N 2 1 212.337 0.785 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000079420046 384495958 /nfs/dbraw/zinc/49/59/58/384495958.db2.gz KEYAYXXXNNZSDU-ZJUUUORDSA-N 2 1 213.325 0.132 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000409422655 385329391 /nfs/dbraw/zinc/32/93/91/385329391.db2.gz HFRPGOKKGLQJBY-SNVBAGLBSA-N 2 1 225.336 0.278 40 0 BCABMP CC(C)C[C@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217787 385666897 /nfs/dbraw/zinc/66/68/97/385666897.db2.gz NKNQMZOSROMBJG-LBPRGKRZSA-N 2 1 213.369 0.997 40 0 BCABMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262263895 135288815 /nfs/dbraw/zinc/28/88/15/135288815.db2.gz RQQROJXUTSLFCC-GFCCVEGCSA-N 2 1 237.347 0.435 40 0 BCABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306124803 167035987 /nfs/dbraw/zinc/03/59/87/167035987.db2.gz BZWGVEAQIASYPC-AGIUHOORSA-N 2 1 249.362 0.739 40 0 BCABMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000011959315 171394491 /nfs/dbraw/zinc/39/44/91/171394491.db2.gz IQHLYENUVUMFMI-UWVGGRQHSA-N 2 1 213.325 0.134 40 0 BCABMP C[NH+]1CCC2(CC1)N[C@@H]1CC[N@@H+](C)C[C@@H]1S2 ZINC000001585581 173003167 /nfs/dbraw/zinc/00/31/67/173003167.db2.gz WUJYVICVAOOGLA-MNOVXSKESA-N 2 1 241.404 0.817 40 0 BCABMP C[N@H+]1CCCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000020246693 173011485 /nfs/dbraw/zinc/01/14/85/173011485.db2.gz FCLPVRZENMFOCY-UHFFFAOYSA-N 2 1 239.363 0.540 40 0 BCABMP C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695428 173023328 /nfs/dbraw/zinc/02/33/28/173023328.db2.gz SBNUDJXEPRZOJL-SNVBAGLBSA-N 2 1 235.335 0.233 40 0 BCABMP C[N@H+]1CCC[C@@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377286 173023441 /nfs/dbraw/zinc/02/34/41/173023441.db2.gz DHMRNUPJXOEFDA-SECBINFHSA-N 2 1 224.308 0.770 40 0 BCABMP C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1 ZINC000072343602 173173904 /nfs/dbraw/zinc/17/39/04/173173904.db2.gz QXOLGIZUZZCDRZ-JTQLQIEISA-N 2 1 235.335 0.233 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463489 398314128 /nfs/dbraw/zinc/31/41/28/398314128.db2.gz DCXKJKJIJXJQFF-UTUOFQBUSA-N 2 1 212.337 0.689 40 0 BCABMP CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000095095615 346914822 /nfs/dbraw/zinc/91/48/22/346914822.db2.gz KXNULXBNWMONBN-LBPRGKRZSA-N 2 1 239.363 0.683 40 0 BCABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000034239435 343266942 /nfs/dbraw/zinc/26/69/42/343266942.db2.gz UCORYUPEVCQOAL-QMMMGPOBSA-N 2 1 202.298 0.784 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000079420057 187262862 /nfs/dbraw/zinc/26/28/62/187262862.db2.gz DKMIAZCBSZVMSL-UWVGGRQHSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000079420057 187262864 /nfs/dbraw/zinc/26/28/64/187262864.db2.gz DKMIAZCBSZVMSL-UWVGGRQHSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079419419 187263742 /nfs/dbraw/zinc/26/37/42/187263742.db2.gz IPDRZGHDKJWWRK-WDEREUQCSA-N 2 1 227.352 0.665 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538775 187268364 /nfs/dbraw/zinc/26/83/64/187268364.db2.gz JJNCQGUDLDTSQA-QWRGUYRKSA-N 2 1 227.352 0.428 40 0 BCABMP C[NH+]1CCN(C(=O)OC2CC[NH2+]CC2)CC1 ZINC000145981422 343788784 /nfs/dbraw/zinc/78/87/84/343788784.db2.gz NNUYQRAIRHKZCY-UHFFFAOYSA-N 2 1 227.308 0.122 40 0 BCABMP CC(C)C[N@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409423233 343814770 /nfs/dbraw/zinc/81/47/70/343814770.db2.gz MTKMILKXAJGUJB-NEPJUHHUSA-N 2 1 212.337 0.953 40 0 BCABMP CC(C)C[N@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409423237 343814837 /nfs/dbraw/zinc/81/48/37/343814837.db2.gz MTKMILKXAJGUJB-VXGBXAGGSA-N 2 1 212.337 0.953 40 0 BCABMP CCCCN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000409423064 343814866 /nfs/dbraw/zinc/81/48/66/343814866.db2.gz LDNPDPJTVCJEDK-LBPRGKRZSA-N 2 1 241.379 0.916 40 0 BCABMP CCCCN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000409423064 343814867 /nfs/dbraw/zinc/81/48/67/343814867.db2.gz LDNPDPJTVCJEDK-LBPRGKRZSA-N 2 1 241.379 0.916 40 0 BCABMP CC1(C)C[N@H+](C2CC[NH2+]CC2)C[C@H]1CO ZINC000409434768 343835092 /nfs/dbraw/zinc/83/50/92/343835092.db2.gz QMTRWNSCRHODAR-JTQLQIEISA-N 2 1 212.337 0.689 40 0 BCABMP CCO[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1OC ZINC000409436471 343838149 /nfs/dbraw/zinc/83/81/49/343838149.db2.gz ZZAAKRVVPNQTOU-UWVGGRQHSA-N 2 1 202.298 0.071 40 0 BCABMP CO[C@H]1CCO[C@]2(CC[N@@H+](CCC[NH3+])C2)C1 ZINC000409435769 343839832 /nfs/dbraw/zinc/83/98/32/343839832.db2.gz WMCFOWCZFCLEQX-NWDGAFQWSA-N 2 1 228.336 0.605 40 0 BCABMP [NH3+]CC(F)(C[NH3+])Cc1ccccc1F ZINC000585142112 343876998 /nfs/dbraw/zinc/87/69/98/343876998.db2.gz CSXULHRYOZGILO-UHFFFAOYSA-N 2 1 200.232 0.994 40 0 BCABMP c1cc(N2CC[NH2+]CC2)nc(NC2CC2)[nH+]1 ZINC000084490716 345923822 /nfs/dbraw/zinc/92/38/22/345923822.db2.gz ZIXWJOSJOMVIRG-UHFFFAOYSA-N 2 1 219.292 0.461 40 0 BCABMP Cc1nn(C)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000020521679 180339036 /nfs/dbraw/zinc/33/90/36/180339036.db2.gz IYYXLZOFUOPDAM-UHFFFAOYSA-N 2 1 222.336 0.960 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000079407459 188291279 /nfs/dbraw/zinc/29/12/79/188291279.db2.gz AWKZFUDBIYSRKO-ZJUUUORDSA-N 2 1 213.325 0.180 40 0 BCABMP CC(C)N(C(=O)C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000079406959 188291684 /nfs/dbraw/zinc/29/16/84/188291684.db2.gz ITEHCPSXNOLCGE-JTQLQIEISA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)N(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406979 188292104 /nfs/dbraw/zinc/29/21/04/188292104.db2.gz SHNDZFIRTRDJJM-NSHDSACASA-N 2 1 227.352 0.524 40 0 BCABMP CC(C)[N@H+](C)C[C@H]1CC[NH+](CCO)C1 ZINC000079418482 188292355 /nfs/dbraw/zinc/29/23/55/188292355.db2.gz QKWWEANSYDPMCM-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CC[NH+](CCO)C1 ZINC000079418482 188292358 /nfs/dbraw/zinc/29/23/58/188292358.db2.gz QKWWEANSYDPMCM-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](C)C[C@H]1CC[N@H+](CCO)C1 ZINC000079418482 188292360 /nfs/dbraw/zinc/29/23/60/188292360.db2.gz QKWWEANSYDPMCM-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](C)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079418482 188292362 /nfs/dbraw/zinc/29/23/62/188292362.db2.gz QKWWEANSYDPMCM-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP N[C@H](CCCCC[NH3+])[C@@H]([NH3+])CCCCC[NH3+] ZINC000167724958 368352582 /nfs/dbraw/zinc/35/25/82/368352582.db2.gz IBFISXWMMUEZCG-TXEJJXNPSA-N 3 1 230.400 0.679 40 0 BCABMP N[C@@H](CCCCC[NH3+])[C@H]([NH3+])CCCCC[NH3+] ZINC000167724958 368352585 /nfs/dbraw/zinc/35/25/85/368352585.db2.gz IBFISXWMMUEZCG-TXEJJXNPSA-N 3 1 230.400 0.679 40 0 BCABMP O[C@@]1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000072344052 183216794 /nfs/dbraw/zinc/21/67/94/183216794.db2.gz YZMDVRIDQSFAFQ-AWEZNQCLSA-N 2 1 232.327 0.769 40 0 BCABMP O[C@@]1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000072344052 183216799 /nfs/dbraw/zinc/21/67/99/183216799.db2.gz YZMDVRIDQSFAFQ-AWEZNQCLSA-N 2 1 232.327 0.769 40 0 BCABMP CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407242 384134987 /nfs/dbraw/zinc/13/49/87/384134987.db2.gz GHQCYMBMHGDENQ-QWRGUYRKSA-N 2 1 227.352 0.524 40 0 BCABMP CC(C)[N@H+](CCO)C[C@@H]1CC[NH+](C)C1 ZINC000079406027 384135804 /nfs/dbraw/zinc/13/58/04/384135804.db2.gz JOVVPVUGQBVIET-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[N@@H+](CCO)C[C@@H]1CC[NH+](C)C1 ZINC000079406027 384135806 /nfs/dbraw/zinc/13/58/06/384135806.db2.gz JOVVPVUGQBVIET-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](CCO)C[C@@H]1CC[N@H+](C)C1 ZINC000079406027 384135808 /nfs/dbraw/zinc/13/58/08/384135808.db2.gz JOVVPVUGQBVIET-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](CCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000079406027 384135810 /nfs/dbraw/zinc/13/58/10/384135810.db2.gz JOVVPVUGQBVIET-LLVKDONJSA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC000079407502 384135901 /nfs/dbraw/zinc/13/59/01/384135901.db2.gz RWUFYIGFHGPTBN-UWVGGRQHSA-N 2 1 213.325 0.132 40 0 BCABMP CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407194 384136836 /nfs/dbraw/zinc/13/68/36/384136836.db2.gz VTDUWTNWSKWRBA-UWVGGRQHSA-N 2 1 213.325 0.276 40 0 BCABMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079430283 384146929 /nfs/dbraw/zinc/14/69/29/384146929.db2.gz UWTSFSVFUHAGDV-JTQLQIEISA-N 2 1 225.336 0.278 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419483 384141875 /nfs/dbraw/zinc/14/18/75/384141875.db2.gz CUKRQMHIJBTQQN-VHSXEESVSA-N 2 1 225.336 0.276 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419502 384142769 /nfs/dbraw/zinc/14/27/69/384142769.db2.gz XJEFNDJOLXCQHN-CMPLNLGQSA-N 2 1 239.363 0.809 40 0 BCABMP C[N@@H+](C[C@@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079419065 384143815 /nfs/dbraw/zinc/14/38/15/384143815.db2.gz CJEDYCUQUSQVCJ-LBPRGKRZSA-N 2 1 211.353 0.894 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419527 384144134 /nfs/dbraw/zinc/14/41/34/384144134.db2.gz ODYVHPRLYYAJPJ-WCQGTBRESA-N 2 1 239.363 0.855 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419516 384144281 /nfs/dbraw/zinc/14/42/81/384144281.db2.gz JDSDHTLGADSAJV-WDEREUQCSA-N 2 1 239.363 0.666 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419425 384145216 /nfs/dbraw/zinc/14/52/16/384145216.db2.gz CMOGMHHVHYNUEG-WDEREUQCSA-N 2 1 227.352 0.522 40 0 BCABMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000026896612 384415506 /nfs/dbraw/zinc/41/55/06/384415506.db2.gz KVPXVSDIYOYVKS-JTQLQIEISA-N 2 1 226.320 0.623 40 0 BCABMP C[N@H+]1CCC[C@@H]1Cc1nc(CC[NH3+])no1 ZINC000258051828 384928656 /nfs/dbraw/zinc/92/86/56/384928656.db2.gz PDBYACPCGXLSMD-MRVPVSSYSA-N 2 1 210.281 0.208 40 0 BCABMP [NH3+]C[C@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000096523587 385269667 /nfs/dbraw/zinc/26/96/67/385269667.db2.gz ZJOXBCFRRUIQKQ-CYBMUJFWSA-N 2 1 241.379 0.522 40 0 BCABMP C([C@H]1CCOC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238037256 388623236 /nfs/dbraw/zinc/62/32/36/388623236.db2.gz CZSRLJUSZKDEKH-UTUOFQBUSA-N 2 1 210.321 0.849 40 0 BCABMP C([C@H]1CCOC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238037256 388623239 /nfs/dbraw/zinc/62/32/39/388623239.db2.gz CZSRLJUSZKDEKH-UTUOFQBUSA-N 2 1 210.321 0.849 40 0 BCABMP C[NH+]1CCC2(CC1)NN=C1CC[N@@H+](C)C[C@@H]12 ZINC000091244425 173002900 /nfs/dbraw/zinc/00/29/00/173002900.db2.gz LMWHQYILCVJMCX-JTQLQIEISA-N 2 1 222.336 0.362 40 0 BCABMP C[N@H+]1CCC[C@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079407034 173044703 /nfs/dbraw/zinc/04/47/03/173044703.db2.gz FOVDHTDXRIUBJD-JTQLQIEISA-N 2 1 211.309 0.030 40 0 BCABMP C[N@H+]1CCC[C@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828880 173048454 /nfs/dbraw/zinc/04/84/54/173048454.db2.gz YYCRESYKHURAJR-QMMMGPOBSA-N 2 1 210.281 0.380 40 0 BCABMP C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000257344217 173174779 /nfs/dbraw/zinc/17/47/79/173174779.db2.gz ZWEPIAGNGYESPC-SECBINFHSA-N 2 1 221.308 0.191 40 0 BCABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)C ZINC000022939173 177238346 /nfs/dbraw/zinc/23/83/46/177238346.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)C ZINC000022939173 177238347 /nfs/dbraw/zinc/23/83/47/177238347.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)C ZINC000022939173 177238349 /nfs/dbraw/zinc/23/83/49/177238349.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)C ZINC000022027234 177239896 /nfs/dbraw/zinc/23/98/96/177239896.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)C ZINC000022027234 177239897 /nfs/dbraw/zinc/23/98/97/177239897.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)C ZINC000022027234 177239898 /nfs/dbraw/zinc/23/98/98/177239898.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 2 1 213.369 0.866 40 0 BCABMP CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000095096499 346932603 /nfs/dbraw/zinc/93/26/03/346932603.db2.gz DNIQSYZEBGCNGC-JTQLQIEISA-N 2 1 209.297 0.394 40 0 BCABMP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000037816775 343783370 /nfs/dbraw/zinc/78/33/70/343783370.db2.gz LVHVXBTUGHVGFM-GFCCVEGCSA-N 2 1 237.347 0.293 40 0 BCABMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000037826976 343783441 /nfs/dbraw/zinc/78/34/41/343783441.db2.gz FBEZPUSWJQYELE-NSHDSACASA-N 2 1 237.347 0.293 40 0 BCABMP [NH3+]CCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000308474863 343790149 /nfs/dbraw/zinc/79/01/49/343790149.db2.gz KQXBOXSETKSVHE-SSDOTTSWSA-N 2 1 212.215 0.334 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000308474863 343790152 /nfs/dbraw/zinc/79/01/52/343790152.db2.gz KQXBOXSETKSVHE-SSDOTTSWSA-N 2 1 212.215 0.334 40 0 BCABMP C[NH+]1CCN(C(=O)O[C@H]2CCC[NH2+]C2)CC1 ZINC000231561900 343794091 /nfs/dbraw/zinc/79/40/91/343794091.db2.gz QPTMJQSHUMQDEI-JTQLQIEISA-N 2 1 227.308 0.122 40 0 BCABMP C(C1CC1)[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409422212 343812697 /nfs/dbraw/zinc/81/26/97/343812697.db2.gz BXMFUKKNXYSGGE-NWDGAFQWSA-N 2 1 210.321 0.707 40 0 BCABMP CCO[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1OCC ZINC000409425560 343819989 /nfs/dbraw/zinc/81/99/89/343819989.db2.gz ASIIZXSWYYYMJB-BETUJISGSA-N 2 1 242.363 0.864 40 0 BCABMP CCO[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1OCC ZINC000409425560 343819991 /nfs/dbraw/zinc/81/99/91/343819991.db2.gz ASIIZXSWYYYMJB-BETUJISGSA-N 2 1 242.363 0.864 40 0 BCABMP COC[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409425693 343820516 /nfs/dbraw/zinc/82/05/16/343820516.db2.gz GNGIHPOXQZXAHM-GHMZBOCLSA-N 2 1 212.337 0.953 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409426369 343822610 /nfs/dbraw/zinc/82/26/10/343822610.db2.gz CDUFPKPAHHGJGX-NEPJUHHUSA-N 2 1 212.337 0.820 40 0 BCABMP Cn1ccc([C@H]2CCC[N@@H+](CCC[NH3+])C2)n1 ZINC000409430222 343807739 /nfs/dbraw/zinc/80/77/39/343807739.db2.gz QCIXHYQSGDANLA-NSHDSACASA-N 2 1 222.336 0.948 40 0 BCABMP NC(=[NH2+])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000409432864 343828267 /nfs/dbraw/zinc/82/82/67/343828267.db2.gz WTPXBKRJFRMYNF-MRVPVSSYSA-N 2 1 214.338 0.003 40 0 BCABMP O[C@H]1CC[N@H+](C2CC[NH2+]CC2)C[C@H]1CCF ZINC000409435027 343835381 /nfs/dbraw/zinc/83/53/81/343835381.db2.gz SBEGEVHQWRQTOD-PWSUYJOCSA-N 2 1 230.327 0.781 40 0 BCABMP [NH3+]CC(F)(C[NH3+])Cc1ccc(F)cc1 ZINC000585142272 344174874 /nfs/dbraw/zinc/17/48/74/344174874.db2.gz SVBFAVUOIURXSK-UHFFFAOYSA-N 2 1 200.232 0.994 40 0 BCABMP CNc1cc(NCCC[NH+](C)C)nc[nH+]1 ZINC000087808297 345942349 /nfs/dbraw/zinc/94/23/49/345942349.db2.gz GSWLCWKBORBKLW-UHFFFAOYSA-N 2 1 209.297 0.882 40 0 BCABMP CNc1cc(NCCC[NH+](C)C)[nH+]cn1 ZINC000087808297 345942351 /nfs/dbraw/zinc/94/23/51/345942351.db2.gz GSWLCWKBORBKLW-UHFFFAOYSA-N 2 1 209.297 0.882 40 0 BCABMP CN(C)c1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC000034180768 350169066 /nfs/dbraw/zinc/16/90/66/350169066.db2.gz RNFZKQZLZIBFTR-NEPJUHHUSA-N 2 1 205.305 0.767 40 0 BCABMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000019504598 356483902 /nfs/dbraw/zinc/48/39/02/356483902.db2.gz IQHLYENUVUMFMI-NXEZZACHSA-N 2 1 213.325 0.134 40 0 BCABMP N[C@H](CCCCC[NH3+])[C@H]([NH3+])CCCCC[NH3+] ZINC000167725191 368352104 /nfs/dbraw/zinc/35/21/04/368352104.db2.gz IBFISXWMMUEZCG-VXGBXAGGSA-N 3 1 230.400 0.679 40 0 BCABMP O[C@H]1CC[NH2+]CC[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000257276153 183240756 /nfs/dbraw/zinc/24/07/56/183240756.db2.gz NSNXRPBKDVUNEE-UWVGGRQHSA-N 2 1 234.290 0.830 40 0 BCABMP O[C@]1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000072344053 183251012 /nfs/dbraw/zinc/25/10/12/183251012.db2.gz YZMDVRIDQSFAFQ-CQSZACIVSA-N 2 1 232.327 0.769 40 0 BCABMP O[C@]1(C[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000072344053 183251014 /nfs/dbraw/zinc/25/10/14/183251014.db2.gz YZMDVRIDQSFAFQ-CQSZACIVSA-N 2 1 232.327 0.769 40 0 BCABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCC[NH3+] ZINC000034239434 166673922 /nfs/dbraw/zinc/67/39/22/166673922.db2.gz UCORYUPEVCQOAL-MRVPVSSYSA-N 2 1 202.298 0.784 40 0 BCABMP CC(C)N(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406976 384134773 /nfs/dbraw/zinc/13/47/73/384134773.db2.gz SHNDZFIRTRDJJM-LLVKDONJSA-N 2 1 227.352 0.524 40 0 BCABMP CCN(C[C@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406897 384136336 /nfs/dbraw/zinc/13/63/36/384136336.db2.gz YCZVNHOWVMQCME-SNVBAGLBSA-N 2 1 213.325 0.278 40 0 BCABMP CC(C)N(C[C@@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406965 384136415 /nfs/dbraw/zinc/13/64/15/384136415.db2.gz FTAVDGTUWKRVMD-NSHDSACASA-N 2 1 227.352 0.666 40 0 BCABMP CCN(C[C@H]1CCCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407234 384136730 /nfs/dbraw/zinc/13/67/30/384136730.db2.gz XQPZRJNDHJNIOA-WDEREUQCSA-N 2 1 227.352 0.666 40 0 BCABMP CC[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000079405980 384136820 /nfs/dbraw/zinc/13/68/20/384136820.db2.gz BDPHLOXTNNPKHT-UHFFFAOYSA-N 2 1 200.326 0.642 40 0 BCABMP CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407206 384137178 /nfs/dbraw/zinc/13/71/78/384137178.db2.gz OYKGTFMXHDQVLW-VHSXEESVSA-N 2 1 213.325 0.134 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@H+]1C ZINC000079407135 384137226 /nfs/dbraw/zinc/13/72/26/384137226.db2.gz ZJHJSZLYWTUYJI-UWVGGRQHSA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419623 384145535 /nfs/dbraw/zinc/14/55/35/384145535.db2.gz PPDCLTWNXQQLBR-NEPJUHHUSA-N 2 1 239.363 0.665 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547660 388399483 /nfs/dbraw/zinc/39/94/83/388399483.db2.gz KQJHUDOKQYCDRG-CMPLNLGQSA-N 2 1 205.305 0.903 40 0 BCABMP CCOC(=O)[C@@H](C[NH3+])[C@](C)(CC)[NH+](C)C ZINC000072210428 322906235 /nfs/dbraw/zinc/90/62/35/322906235.db2.gz JFBVUDIRGUTJRG-KOLCDFICSA-N 2 1 216.325 0.855 40 0 BCABMP CC[C@H](C)[C@@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217793 171372611 /nfs/dbraw/zinc/37/26/11/171372611.db2.gz OIOOWQXSOJKXCN-RYUDHWBXSA-N 2 1 213.369 0.997 40 0 BCABMP C[NH+]1CCC(c2nnc3n2CC[N@H+](C)C3)CC1 ZINC000072352914 173001358 /nfs/dbraw/zinc/00/13/58/173001358.db2.gz HXLQVQOCFWGRDR-UHFFFAOYSA-N 2 1 235.335 0.533 40 0 BCABMP C[N@H+]1CCC[C@@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407020 173031197 /nfs/dbraw/zinc/03/11/97/173031197.db2.gz QYHYXKDOOAEMBY-SNVBAGLBSA-N 2 1 211.309 0.030 40 0 BCABMP C[N@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695429 173047568 /nfs/dbraw/zinc/04/75/68/173047568.db2.gz SBNUDJXEPRZOJL-JTQLQIEISA-N 2 1 235.335 0.233 40 0 BCABMP C[N@H+]1CCC[C@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377206 173047806 /nfs/dbraw/zinc/04/78/06/173047806.db2.gz DHMRNUPJXOEFDA-VIFPVBQESA-N 2 1 224.308 0.770 40 0 BCABMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000095095614 173067118 /nfs/dbraw/zinc/06/71/18/173067118.db2.gz KJARMSMFZXIAOG-LLVKDONJSA-N 2 1 225.336 0.293 40 0 BCABMP COCC[N@@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC000096523767 174291131 /nfs/dbraw/zinc/29/11/31/174291131.db2.gz YEYJIEAPMBCLRO-UHFFFAOYSA-N 2 1 243.395 0.768 40 0 BCABMP COCC[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306128707 174311090 /nfs/dbraw/zinc/31/10/90/174311090.db2.gz HIRJBYRCNGLWDJ-LBPRGKRZSA-N 2 1 228.336 0.335 40 0 BCABMP COCC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306128707 174311093 /nfs/dbraw/zinc/31/10/93/174311093.db2.gz HIRJBYRCNGLWDJ-LBPRGKRZSA-N 2 1 228.336 0.335 40 0 BCABMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CN1CCC[NH3+] ZINC000023477999 177250260 /nfs/dbraw/zinc/25/02/60/177250260.db2.gz CDJBQQIDYCQYHJ-TXEJJXNPSA-N 3 1 228.384 0.079 40 0 BCABMP C[C@@H]1CN(CCC[NH3+])[C@@H](C)C[N@@H+]1CCC[NH3+] ZINC000023477999 177250262 /nfs/dbraw/zinc/25/02/62/177250262.db2.gz CDJBQQIDYCQYHJ-TXEJJXNPSA-N 3 1 228.384 0.079 40 0 BCABMP C[C@@H]1CN(CCC[NH3+])[C@@H](C)C[N@H+]1CCC[NH3+] ZINC000023477999 177250263 /nfs/dbraw/zinc/25/02/63/177250263.db2.gz CDJBQQIDYCQYHJ-TXEJJXNPSA-N 3 1 228.384 0.079 40 0 BCABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCO)CC1 ZINC000247981804 522105869 /nfs/dbraw/zinc/10/58/69/522105869.db2.gz JRXKYDDXBODBBC-XYPYZODXSA-N 2 1 200.326 0.783 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242648733 522408729 /nfs/dbraw/zinc/40/87/29/522408729.db2.gz RFDMCJNIQPTNLM-XYPYZODXSA-N 2 1 212.337 0.974 40 0 BCABMP CC[N@H+](Cc1ccncc1)C[C@]1(O)CC[NH2+]C1 ZINC000072344062 343979487 /nfs/dbraw/zinc/97/94/87/343979487.db2.gz BVKDPLUSFOZOKL-ZDUSSCGKSA-N 2 1 235.331 0.628 40 0 BCABMP CC[N@@H+](Cc1ccncc1)C[C@]1(O)CC[NH2+]C1 ZINC000072344062 343979488 /nfs/dbraw/zinc/97/94/88/343979488.db2.gz BVKDPLUSFOZOKL-ZDUSSCGKSA-N 2 1 235.331 0.628 40 0 BCABMP [NH3+]CCNc1cc(NC[C@H]2CCCO2)[nH+]cn1 ZINC000258963889 342807856 /nfs/dbraw/zinc/80/78/56/342807856.db2.gz MVHPCYFGZIWYTA-SECBINFHSA-N 2 1 237.307 0.438 40 0 BCABMP CC[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000095095616 346915617 /nfs/dbraw/zinc/91/56/17/346915617.db2.gz KXNULXBNWMONBN-GFCCVEGCSA-N 2 1 239.363 0.683 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484890 343310182 /nfs/dbraw/zinc/31/01/82/343310182.db2.gz YQYUNIJMUFIMHF-ZJUUUORDSA-N 2 1 213.325 0.038 40 0 BCABMP C(C1CC1)[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409422214 343812734 /nfs/dbraw/zinc/81/27/34/343812734.db2.gz BXMFUKKNXYSGGE-RYUDHWBXSA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409425115 343818100 /nfs/dbraw/zinc/81/81/00/343818100.db2.gz DXXJRGTUQMDICJ-WDEREUQCSA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409425115 343818101 /nfs/dbraw/zinc/81/81/01/343818101.db2.gz DXXJRGTUQMDICJ-WDEREUQCSA-N 2 1 210.321 0.707 40 0 BCABMP CCO[C@@H]1C[NH+](C2CC[NH2+]CC2)C[C@H]1OCC ZINC000409425561 343820006 /nfs/dbraw/zinc/82/00/06/343820006.db2.gz ASIIZXSWYYYMJB-CHWSQXEVSA-N 2 1 242.363 0.864 40 0 BCABMP CC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432024 343824953 /nfs/dbraw/zinc/82/49/53/343824953.db2.gz KNHRFPBYHWYMHA-CMPLNLGQSA-N 2 1 212.337 0.831 40 0 BCABMP [NH3+]CCC[N@H+]1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409430723 343808672 /nfs/dbraw/zinc/80/86/72/343808672.db2.gz IXKWAJDLYCPCAJ-NEPJUHHUSA-N 2 1 228.336 0.341 40 0 BCABMP CCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000087831197 345940249 /nfs/dbraw/zinc/94/02/49/345940249.db2.gz KYFLOZVRQXEPBG-UHFFFAOYSA-N 2 1 207.281 0.318 40 0 BCABMP Cc1nc(N2CCC[N@H+](C)CC2)cc(N)[nH+]1 ZINC000087806490 345942380 /nfs/dbraw/zinc/94/23/80/345942380.db2.gz AGEBBCIDQJEVEV-UHFFFAOYSA-N 2 1 221.308 0.509 40 0 BCABMP COC(=O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000026896609 349334175 /nfs/dbraw/zinc/33/41/75/349334175.db2.gz GUMJHUHOKXILAX-UHFFFAOYSA-N 2 1 226.320 0.623 40 0 BCABMP CC(C)[N@@H+](C)Cc1n[nH]c2c1CC[NH2+]C2 ZINC000306140171 188218476 /nfs/dbraw/zinc/21/84/76/188218476.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 2 1 208.309 0.896 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000237121549 363465349 /nfs/dbraw/zinc/46/53/49/363465349.db2.gz TYHWLXKIAYOOHF-RYUDHWBXSA-N 2 1 239.363 0.526 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936111 538756267 /nfs/dbraw/zinc/75/62/67/538756267.db2.gz FLWXPGIYDMXMFU-VXGBXAGGSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936111 538756273 /nfs/dbraw/zinc/75/62/73/538756273.db2.gz FLWXPGIYDMXMFU-VXGBXAGGSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936111 538756277 /nfs/dbraw/zinc/75/62/77/538756277.db2.gz FLWXPGIYDMXMFU-VXGBXAGGSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936111 538756279 /nfs/dbraw/zinc/75/62/79/538756279.db2.gz FLWXPGIYDMXMFU-VXGBXAGGSA-N 2 1 212.337 0.972 40 0 BCABMP CCNc1nc(N2CCC[NH2+]CC2)cc[nH+]1 ZINC000409427530 491119450 /nfs/dbraw/zinc/11/94/50/491119450.db2.gz JNLSTHNBOUAIKM-UHFFFAOYSA-N 2 1 221.308 0.708 40 0 BCABMP [NH3+]CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404047 181354183 /nfs/dbraw/zinc/35/41/83/181354183.db2.gz UFPNGJVADXICDU-CYBMUJFWSA-N 2 1 247.342 0.726 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccn2)C1 ZINC000074188490 369869119 /nfs/dbraw/zinc/86/91/19/369869119.db2.gz KQJHUDOKQYCDRG-PWSUYJOCSA-N 2 1 205.305 0.903 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245645 383846018 /nfs/dbraw/zinc/84/60/18/383846018.db2.gz QFDYLPOYYUJDDZ-MNOVXSKESA-N 2 1 227.352 0.522 40 0 BCABMP CC(C)N(C[C@@H]1CCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406937 384135614 /nfs/dbraw/zinc/13/56/14/384135614.db2.gz SIGDXOSYLQFYOU-JTQLQIEISA-N 2 1 213.325 0.276 40 0 BCABMP CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407566 384137497 /nfs/dbraw/zinc/13/74/97/384137497.db2.gz MJBKSWLKZOCHTK-RYUDHWBXSA-N 2 1 241.379 0.912 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000079407522 384137674 /nfs/dbraw/zinc/13/76/74/384137674.db2.gz GIGLMGBJAUIDLG-RYUDHWBXSA-N 2 1 241.379 0.770 40 0 BCABMP C[N@@H+](C[C@H]1CCCCN1C(=O)C[NH3+])C1CC1 ZINC000079424923 384146592 /nfs/dbraw/zinc/14/65/92/384146592.db2.gz BZYHZYCWHAIBFT-LLVKDONJSA-N 2 1 225.336 0.420 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C2CC2)CC1 ZINC000079419521 384142063 /nfs/dbraw/zinc/14/20/63/384142063.db2.gz JZWUIFIXUMQEEP-JTQLQIEISA-N 2 1 239.363 0.666 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000079420049 384143019 /nfs/dbraw/zinc/14/30/19/384143019.db2.gz KEYAYXXXNNZSDU-UWVGGRQHSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000079420049 384143021 /nfs/dbraw/zinc/14/30/21/384143021.db2.gz KEYAYXXXNNZSDU-UWVGGRQHSA-N 2 1 213.325 0.132 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079419306 384143153 /nfs/dbraw/zinc/14/31/53/384143153.db2.gz WHECSIFRZNGWTR-JTQLQIEISA-N 2 1 213.325 0.134 40 0 BCABMP CC(C)[N@@H+](C)CC1CCN(CC[NH3+])CC1 ZINC000079419027 384144118 /nfs/dbraw/zinc/14/41/18/384144118.db2.gz COQRSQXIPOVMEM-UHFFFAOYSA-N 2 1 213.369 0.997 40 0 BCABMP C[C@H]([NH3+])C(=O)NC1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419524 384144945 /nfs/dbraw/zinc/14/49/45/384144945.db2.gz ZEKNMOYSTCUUIH-WHXUTIOJSA-N 2 1 239.363 0.855 40 0 BCABMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082303070 384663931 /nfs/dbraw/zinc/66/39/31/384663931.db2.gz BDMYDZPNBXSDCW-JTQLQIEISA-N 2 1 213.325 0.006 40 0 BCABMP c1cncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301017 384653199 /nfs/dbraw/zinc/65/31/99/384653199.db2.gz QVYMGYMFILJLRH-TXEJJXNPSA-N 2 1 203.289 0.733 40 0 BCABMP c1cncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301017 384653205 /nfs/dbraw/zinc/65/32/05/384653205.db2.gz QVYMGYMFILJLRH-TXEJJXNPSA-N 2 1 203.289 0.733 40 0 BCABMP CC[C@](C)([C@@H](C[NH3+])CO)[NH+]1CCOCC1 ZINC000072210363 385068733 /nfs/dbraw/zinc/06/87/33/385068733.db2.gz YRZOZNRRONVFET-WDEREUQCSA-N 2 1 216.325 0.055 40 0 BCABMP CCOC(=O)[C@H](C[NH3+])C1([NH+](C)C)CCCC1 ZINC000072210395 385068780 /nfs/dbraw/zinc/06/87/80/385068780.db2.gz MWBNJGPFVAEGBL-JTQLQIEISA-N 2 1 228.336 0.999 40 0 BCABMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000019843059 385297515 /nfs/dbraw/zinc/29/75/15/385297515.db2.gz DMWFNNVZSPHPNE-LBPRGKRZSA-N 2 1 239.363 0.670 40 0 BCABMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000019843059 385297519 /nfs/dbraw/zinc/29/75/19/385297519.db2.gz DMWFNNVZSPHPNE-LBPRGKRZSA-N 2 1 239.363 0.670 40 0 BCABMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000096523458 385797318 /nfs/dbraw/zinc/79/73/18/385797318.db2.gz KMGUHEOVXWBQHK-GHMZBOCLSA-N 2 1 200.326 0.817 40 0 BCABMP CC[NH+](CC)CC[C@@H]([NH2+]C)C(=O)NC ZINC000072417728 386090690 /nfs/dbraw/zinc/09/06/90/386090690.db2.gz OJTFODFEYCLNLG-SECBINFHSA-N 2 1 201.314 0.052 40 0 BCABMP [NH3+]CCn1cc(NC2=[NH+]CCCC2)cn1 ZINC000217811380 388381668 /nfs/dbraw/zinc/38/16/68/388381668.db2.gz GWCKJPJQRQEPOV-UHFFFAOYSA-N 2 1 207.281 0.836 40 0 BCABMP CCNc1ncc(C[NH2+]CCC[NH2+]C)cn1 ZINC000062718416 388655947 /nfs/dbraw/zinc/65/59/47/388655947.db2.gz HKUYPDZALYFQOX-UHFFFAOYSA-N 2 1 223.324 0.608 40 0 BCABMP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843073 167052854 /nfs/dbraw/zinc/05/28/54/167052854.db2.gz MULXDCSGOZJPOB-JTQLQIEISA-N 2 1 213.325 0.182 40 0 BCABMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843073 167052856 /nfs/dbraw/zinc/05/28/56/167052856.db2.gz MULXDCSGOZJPOB-JTQLQIEISA-N 2 1 213.325 0.182 40 0 BCABMP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843074 167052835 /nfs/dbraw/zinc/05/28/35/167052835.db2.gz MULXDCSGOZJPOB-SNVBAGLBSA-N 2 1 213.325 0.182 40 0 BCABMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843074 167052837 /nfs/dbraw/zinc/05/28/37/167052837.db2.gz MULXDCSGOZJPOB-SNVBAGLBSA-N 2 1 213.325 0.182 40 0 BCABMP CC1CCC(O)(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000096511428 168167506 /nfs/dbraw/zinc/16/75/06/168167506.db2.gz SRGPEYUUUDNDMZ-CXQJBGSLSA-N 2 1 212.337 0.961 40 0 BCABMP CC1CCC(O)(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000096511428 168167509 /nfs/dbraw/zinc/16/75/09/168167509.db2.gz SRGPEYUUUDNDMZ-CXQJBGSLSA-N 2 1 212.337 0.961 40 0 BCABMP CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042834 170091692 /nfs/dbraw/zinc/09/16/92/170091692.db2.gz OPXZEYRARUSRTO-NSHDSACASA-N 2 1 225.336 0.339 40 0 BCABMP CCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042834 170091694 /nfs/dbraw/zinc/09/16/94/170091694.db2.gz OPXZEYRARUSRTO-NSHDSACASA-N 2 1 225.336 0.339 40 0 BCABMP C[N@H+]1CCCC[C@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407054 173007023 /nfs/dbraw/zinc/00/70/23/173007023.db2.gz UKPGQPMLRMFOQH-NSHDSACASA-N 2 1 225.336 0.420 40 0 BCABMP C[N@@H+]1CCC[C@H]1c1nc(CCC[NH3+])no1 ZINC000218378045 173059528 /nfs/dbraw/zinc/05/95/28/173059528.db2.gz IRWIEDAYKFUTIU-QMMMGPOBSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CCC[C@H]1c1nc(CCC[NH3+])no1 ZINC000218378045 173059531 /nfs/dbraw/zinc/05/95/31/173059531.db2.gz IRWIEDAYKFUTIU-QMMMGPOBSA-N 2 1 210.281 0.728 40 0 BCABMP CN1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019431100 173088119 /nfs/dbraw/zinc/08/81/19/173088119.db2.gz ALCQHFFVVLFOOA-UHFFFAOYSA-N 2 1 232.331 0.718 40 0 BCABMP C[N@@H+]1CCc2nnc(C3CC[NH2+]CC3)n2CC1 ZINC000072343600 173173226 /nfs/dbraw/zinc/17/32/26/173173226.db2.gz UPVWYKRBHWIMEY-UHFFFAOYSA-N 2 1 235.335 0.233 40 0 BCABMP C[N@@H+]1[C@@H]2CC[C@H]1CC(n1cc(C[NH3+])nn1)C2 ZINC000095096504 173206480 /nfs/dbraw/zinc/20/64/80/173206480.db2.gz YVUBVZVZPUXDJT-ZACCUICWSA-N 2 1 221.308 0.535 40 0 BCABMP C[C@@]12CC[C@@H](O1)[C@H]1C[N@@H+](CCC(=[NH2+])NO)C[C@@H]12 ZINC000006491298 342778556 /nfs/dbraw/zinc/77/85/56/342778556.db2.gz ADYSGPLVXJAYRZ-GUDRVLHUSA-N 2 1 239.319 0.832 40 0 BCABMP COC[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409425696 343820527 /nfs/dbraw/zinc/82/05/27/343820527.db2.gz GNGIHPOXQZXAHM-WDEREUQCSA-N 2 1 212.337 0.953 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409426371 343822619 /nfs/dbraw/zinc/82/26/19/343822619.db2.gz CDUFPKPAHHGJGX-RYUDHWBXSA-N 2 1 212.337 0.820 40 0 BCABMP O[C@@H]1CCO[C@@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432020 343825309 /nfs/dbraw/zinc/82/53/09/343825309.db2.gz KNFZAUSMOIKRHA-OLZOCXBDSA-N 2 1 240.347 0.354 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409429426 343805686 /nfs/dbraw/zinc/80/56/86/343805686.db2.gz HKUSBGAKDTYWRT-NWDGAFQWSA-N 2 1 212.337 0.818 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409429405 343805713 /nfs/dbraw/zinc/80/57/13/343805713.db2.gz HKUSBGAKDTYWRT-NEPJUHHUSA-N 2 1 212.337 0.818 40 0 BCABMP [NH3+]CCC[N@H+]1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409430730 343809015 /nfs/dbraw/zinc/80/90/15/343809015.db2.gz IXKWAJDLYCPCAJ-VXGBXAGGSA-N 2 1 228.336 0.341 40 0 BCABMP CCC[C@@H]1C[N@@H+](CCC[NH3+])CC[C@H]1O ZINC000409435088 343836267 /nfs/dbraw/zinc/83/62/67/343836267.db2.gz SHABCNHOKJBKPS-GHMZBOCLSA-N 2 1 200.326 0.818 40 0 BCABMP CN1C[C@]2(CCC[N@@H+](Cc3cncn3C)C2)C1=O ZINC000585099372 344131874 /nfs/dbraw/zinc/13/18/74/344131874.db2.gz HQKNYTJASOLAHW-ZDUSSCGKSA-N 2 1 248.330 0.474 40 0 BCABMP CN1C[C@]2(CCCN(Cc3cncn3C)C2)C1=O ZINC000585099372 344131878 /nfs/dbraw/zinc/13/18/78/344131878.db2.gz HQKNYTJASOLAHW-ZDUSSCGKSA-N 2 1 248.330 0.474 40 0 BCABMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000082304291 344153671 /nfs/dbraw/zinc/15/36/71/344153671.db2.gz LLZYMMYCHZFZDC-LBPRGKRZSA-N 2 1 239.363 0.492 40 0 BCABMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000082304291 344153673 /nfs/dbraw/zinc/15/36/73/344153673.db2.gz LLZYMMYCHZFZDC-LBPRGKRZSA-N 2 1 239.363 0.492 40 0 BCABMP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257661905 345781108 /nfs/dbraw/zinc/78/11/08/345781108.db2.gz DKWXAKVNYYPTQG-WDEREUQCSA-N 2 1 225.336 0.278 40 0 BCABMP C[NH+]1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC000087810400 345941827 /nfs/dbraw/zinc/94/18/27/345941827.db2.gz CCPCBZDAJQIRIY-UHFFFAOYSA-N 2 1 207.281 0.565 40 0 BCABMP CCC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000019409616 169201634 /nfs/dbraw/zinc/20/16/34/169201634.db2.gz YUDFWHFONPZFHC-GFCCVEGCSA-N 2 1 239.363 0.683 40 0 BCABMP CO[C@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409434804 383839841 /nfs/dbraw/zinc/83/98/41/383839841.db2.gz QQXSPSAKJAKJGJ-MRVPVSSYSA-N 2 1 226.242 0.988 40 0 BCABMP CO[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000409434804 383839842 /nfs/dbraw/zinc/83/98/42/383839842.db2.gz QQXSPSAKJAKJGJ-MRVPVSSYSA-N 2 1 226.242 0.988 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000053245646 383846086 /nfs/dbraw/zinc/84/60/86/383846086.db2.gz QFDYLPOYYUJDDZ-QWRGUYRKSA-N 2 1 227.352 0.522 40 0 BCABMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037826024 383893427 /nfs/dbraw/zinc/89/34/27/383893427.db2.gz WNMUBDYMJYDTSO-NSHDSACASA-N 2 1 241.379 0.912 40 0 BCABMP CCCCOC(=O)[C@H]([NH3+])CCCC[NH3+] ZINC000004547181 384065791 /nfs/dbraw/zinc/06/57/91/384065791.db2.gz MFSFRBQXAOAROL-SECBINFHSA-N 2 1 202.298 0.786 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000079407143 384134802 /nfs/dbraw/zinc/13/48/02/384134802.db2.gz KCGIYIVTOJXTEM-VHSXEESVSA-N 2 1 213.325 0.134 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000079407661 384135083 /nfs/dbraw/zinc/13/50/83/384135083.db2.gz RIGURTVBDABWNJ-RYUDHWBXSA-N 2 1 241.379 0.911 40 0 BCABMP CCN(C[C@@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406895 384135506 /nfs/dbraw/zinc/13/55/06/384135506.db2.gz YCZVNHOWVMQCME-JTQLQIEISA-N 2 1 213.325 0.278 40 0 BCABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000079407303 384135861 /nfs/dbraw/zinc/13/58/61/384135861.db2.gz ADKSXRAGEQOHEM-QWRGUYRKSA-N 2 1 227.352 0.665 40 0 BCABMP C[N@H+]1CCC[C@@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079407063 384136047 /nfs/dbraw/zinc/13/60/47/384136047.db2.gz HZXURALNIVEIAZ-SNVBAGLBSA-N 2 1 225.336 0.278 40 0 BCABMP CC(C)N(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407280 384136059 /nfs/dbraw/zinc/13/60/59/384136059.db2.gz AILVBEINJVIWCI-QWRGUYRKSA-N 2 1 227.352 0.665 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@@H+](C)C1 ZINC000079407368 384137022 /nfs/dbraw/zinc/13/70/22/384137022.db2.gz SXNOEKHZFPPOTM-WPRPVWTQSA-N 2 1 211.309 0.029 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419414 384142747 /nfs/dbraw/zinc/14/27/47/384142747.db2.gz IFBTYPAODSZQII-UWVGGRQHSA-N 2 1 213.325 0.275 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419470 384143186 /nfs/dbraw/zinc/14/31/86/384143186.db2.gz NAEFKELBJLUQPP-WPRPVWTQSA-N 2 1 211.309 0.029 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419450 384143279 /nfs/dbraw/zinc/14/32/79/384143279.db2.gz SXHDLPXFPJVZFD-RYUDHWBXSA-N 2 1 241.379 0.912 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419530 384144457 /nfs/dbraw/zinc/14/44/57/384144457.db2.gz ODYVHPRLYYAJPJ-DLOVCJGASA-N 2 1 239.363 0.855 40 0 BCABMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419342 384144745 /nfs/dbraw/zinc/14/47/45/384144745.db2.gz OWHBLDUFFFRUGE-WDEREUQCSA-N 2 1 227.352 0.713 40 0 BCABMP C[N@@H+](C[C@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079419076 384145254 /nfs/dbraw/zinc/14/52/54/384145254.db2.gz RUIVITAIUKRVQM-LLVKDONJSA-N 2 1 211.353 0.751 40 0 BCABMP Cc1nc(N)cc(CC2CC[NH2+]CC2)[nH+]1 ZINC000072344472 384208606 /nfs/dbraw/zinc/20/86/06/384208606.db2.gz AZSSKGPVOKJLCB-UHFFFAOYSA-N 2 1 206.293 0.909 40 0 BCABMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020669 388611018 /nfs/dbraw/zinc/61/10/18/388611018.db2.gz ZZJQCKLQXIFZES-JQWIXIFHSA-N 2 1 212.337 0.831 40 0 BCABMP CCCC[N@@H+](C)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000064875802 388672354 /nfs/dbraw/zinc/67/23/54/388672354.db2.gz ZWCNNIQFWKTYRY-ZDUSSCGKSA-N 2 1 243.395 0.375 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000261584349 135225299 /nfs/dbraw/zinc/22/52/99/135225299.db2.gz PRSINHMGGDOQEU-VIFPVBQESA-N 2 1 211.309 0.030 40 0 BCABMP CC1=CN2C3=[NH+]CCN3C3=[N+](CCN3C)[C@H]2C=C1 ZINC000031960622 168122310 /nfs/dbraw/zinc/12/23/10/168122310.db2.gz ILEFVBAVKNNPHH-LLVKDONJSA-N 2 1 244.322 0.087 40 0 BCABMP C[N@H+]1CCCC[C@@H]1CN(CC[NH3+])C1CC1 ZINC000079406366 173006135 /nfs/dbraw/zinc/00/61/35/173006135.db2.gz AFRWSEIPOOWDDD-GFCCVEGCSA-N 2 1 211.353 0.894 40 0 BCABMP C[N@H+]1CCC[C@@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828881 173023433 /nfs/dbraw/zinc/02/34/33/173023433.db2.gz YYCRESYKHURAJR-MRVPVSSYSA-N 2 1 210.281 0.380 40 0 BCABMP C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH+](C)CC3)C1 ZINC000072352744 173174069 /nfs/dbraw/zinc/17/40/69/173174069.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 2 1 249.362 0.575 40 0 BCABMP C[NH+]1CCC[C@@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072352744 173174071 /nfs/dbraw/zinc/17/40/71/173174071.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 2 1 249.362 0.575 40 0 BCABMP C[NH+]1CCC[C@@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000072352744 173174072 /nfs/dbraw/zinc/17/40/72/173174072.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 2 1 249.362 0.575 40 0 BCABMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@H](C)CN1CCC[NH3+] ZINC000019362116 176289147 /nfs/dbraw/zinc/28/91/47/176289147.db2.gz CDJBQQIDYCQYHJ-VXGBXAGGSA-N 3 1 228.384 0.079 40 0 BCABMP C[C@@H]1CN(CCC[NH3+])[C@H](C)CN1CCC[NH3+] ZINC000019362116 176289149 /nfs/dbraw/zinc/28/91/49/176289149.db2.gz CDJBQQIDYCQYHJ-VXGBXAGGSA-N 2 1 228.384 0.079 40 0 BCABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128977 398199954 /nfs/dbraw/zinc/19/99/54/398199954.db2.gz HQAGKEKPMYEGBO-STQMWFEESA-N 2 1 224.348 0.954 40 0 BCABMP CCOC(=O)[C@@H](C[NH3+])[C@@H](C(C)C)[NH+](C)C ZINC000072210487 259316943 /nfs/dbraw/zinc/31/69/43/259316943.db2.gz LZAGWLPBYKXSGT-VHSXEESVSA-N 2 1 216.325 0.711 40 0 BCABMP [NH3+]CCNc1cc(NC[C@@H]2CCCO2)[nH+]cn1 ZINC000258963894 342807786 /nfs/dbraw/zinc/80/77/86/342807786.db2.gz MVHPCYFGZIWYTA-VIFPVBQESA-N 2 1 237.307 0.438 40 0 BCABMP [NH3+]CCC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000308858905 343790580 /nfs/dbraw/zinc/79/05/80/343790580.db2.gz OTSNHXCNUMIHJQ-UHFFFAOYSA-N 2 1 226.242 0.724 40 0 BCABMP CO[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000234796514 343795101 /nfs/dbraw/zinc/79/51/01/343795101.db2.gz YETTYCYSDPLKON-PHIMTYICSA-N 2 1 214.309 0.084 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@@H](O)[C@H](CCF)C1 ZINC000409425341 343819354 /nfs/dbraw/zinc/81/93/54/343819354.db2.gz AJCNNHQRYNFYAL-NXEZZACHSA-N 2 1 204.289 0.378 40 0 BCABMP NCc1noc([C@@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409439827 343853621 /nfs/dbraw/zinc/85/36/21/343853621.db2.gz IXMZKBJTRGTPBT-HTQZYQBOSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@@H]2C[C@H]3CCC[N@@H+]3C2)n1 ZINC000409439827 343853622 /nfs/dbraw/zinc/85/36/22/343853622.db2.gz IXMZKBJTRGTPBT-HTQZYQBOSA-N 2 1 208.265 0.480 40 0 BCABMP [NH3+]Cc1noc([C@@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409439827 343853624 /nfs/dbraw/zinc/85/36/24/343853624.db2.gz IXMZKBJTRGTPBT-HTQZYQBOSA-N 2 1 208.265 0.480 40 0 BCABMP CO[C@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433483 343832711 /nfs/dbraw/zinc/83/27/11/343832711.db2.gz MVRDCEBVQZDTRX-MNOVXSKESA-N 2 1 224.308 0.104 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H](CO)C2(CCCC2)C1 ZINC000409434645 343834115 /nfs/dbraw/zinc/83/41/15/343834115.db2.gz PYONUMUNYDRNDE-LLVKDONJSA-N 2 1 212.337 0.820 40 0 BCABMP CC1(C)C[N@H+](C2CC[NH2+]CC2)C[C@@H]1CO ZINC000409434769 343834883 /nfs/dbraw/zinc/83/48/83/343834883.db2.gz QMTRWNSCRHODAR-SNVBAGLBSA-N 2 1 212.337 0.689 40 0 BCABMP Cc1nn(C)c(C)c1CC[N@@H+](C)CCC[NH3+] ZINC000096523785 180336380 /nfs/dbraw/zinc/33/63/80/180336380.db2.gz DAMSMWLLMGVTAM-UHFFFAOYSA-N 2 1 224.352 0.860 40 0 BCABMP CC(C)[C@H]([NH3+])CCN1CCC[N@@H+](C)CC1 ZINC000096523794 188147870 /nfs/dbraw/zinc/14/78/70/188147870.db2.gz WVWCPSJSOSQZFK-GFCCVEGCSA-N 2 1 213.369 0.997 40 0 BCABMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccc2c(c1)OCO2 ZINC000211538485 358720917 /nfs/dbraw/zinc/72/09/17/358720917.db2.gz KNRJOLPVBUYOAE-DTWKUNHWSA-N 2 1 206.245 0.429 40 0 BCABMP CN(C)c1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1 ZINC000211534757 358721508 /nfs/dbraw/zinc/72/15/08/358721508.db2.gz RNFZKQZLZIBFTR-NWDGAFQWSA-N 2 1 205.305 0.767 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158307441 358904111 /nfs/dbraw/zinc/90/41/11/358904111.db2.gz DKWXAKVNYYPTQG-MNOVXSKESA-N 2 1 225.336 0.278 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538779 383912235 /nfs/dbraw/zinc/91/22/35/383912235.db2.gz JJNCQGUDLDTSQA-MNOVXSKESA-N 2 1 227.352 0.428 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000079407654 384135205 /nfs/dbraw/zinc/13/52/05/384135205.db2.gz RIGURTVBDABWNJ-NEPJUHHUSA-N 2 1 241.379 0.911 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000079407371 384135367 /nfs/dbraw/zinc/13/53/67/384135367.db2.gz LTMWWOFMNUWZPW-ONGXEEELSA-N 2 1 225.336 0.419 40 0 BCABMP CC(C)N(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407327 384136224 /nfs/dbraw/zinc/13/62/24/384136224.db2.gz ALWHQJQWCWXQJX-NWDGAFQWSA-N 2 1 241.379 0.912 40 0 BCABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000079407295 384137098 /nfs/dbraw/zinc/13/70/98/384137098.db2.gz ADKSXRAGEQOHEM-WDEREUQCSA-N 2 1 227.352 0.665 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079419304 384144103 /nfs/dbraw/zinc/14/41/03/384144103.db2.gz NSGQVMJZISJCPI-JTQLQIEISA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419334 384144552 /nfs/dbraw/zinc/14/45/52/384144552.db2.gz SQILJTQTTDIVEO-LLVKDONJSA-N 2 1 227.352 0.524 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178211 384283264 /nfs/dbraw/zinc/28/32/64/384283264.db2.gz RFDMCJNIQPTNLM-PHIMTYICSA-N 2 1 212.337 0.974 40 0 BCABMP C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000074707305 384299857 /nfs/dbraw/zinc/29/98/57/384299857.db2.gz SREIUYBHKGXIDA-UHFFFAOYSA-N 2 1 225.336 0.102 40 0 BCABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC1 ZINC000004969425 385180848 /nfs/dbraw/zinc/18/08/48/385180848.db2.gz DIHLACVQLAUSDW-LLVKDONJSA-N 2 1 227.352 0.539 40 0 BCABMP CN1CCC([NH+]2CCN(CCC[NH3+])CC2)CC1 ZINC000096523790 385266910 /nfs/dbraw/zinc/26/69/10/385266910.db2.gz PJWSALLNBUTHOT-UHFFFAOYSA-N 2 1 240.395 0.047 40 0 BCABMP CCS(=O)(=O)C1(C[NH+](C)C)CC[NH2+]CC1 ZINC000217930463 388384375 /nfs/dbraw/zinc/38/43/75/388384375.db2.gz DNICOLLDMGAKAR-UHFFFAOYSA-N 2 1 234.365 0.105 40 0 BCABMP C[Si](C)(C[NH2+]CC[NH3+])c1ccccc1 ZINC000195759191 397991653 /nfs/dbraw/zinc/99/16/53/397991653.db2.gz ZCSJRGDXLOFDBM-UHFFFAOYSA-N 2 1 208.381 0.690 40 0 BCABMP CC1CCC(O)(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000096511429 168166636 /nfs/dbraw/zinc/16/66/36/168166636.db2.gz SRGPEYUUUDNDMZ-MOENNCHZSA-N 2 1 212.337 0.961 40 0 BCABMP CC1CCC(O)(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000096511429 168166637 /nfs/dbraw/zinc/16/66/37/168166637.db2.gz SRGPEYUUUDNDMZ-MOENNCHZSA-N 2 1 212.337 0.961 40 0 BCABMP C[N@H+]1CCC[C@@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828886 173022677 /nfs/dbraw/zinc/02/26/77/173022677.db2.gz RCFIMXTVQPKQJE-SECBINFHSA-N 2 1 224.308 0.770 40 0 BCABMP C[N@H+]1CCC[C@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079407059 173038120 /nfs/dbraw/zinc/03/81/20/173038120.db2.gz HZXURALNIVEIAZ-JTQLQIEISA-N 2 1 225.336 0.278 40 0 BCABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128976 398199973 /nfs/dbraw/zinc/19/99/73/398199973.db2.gz HQAGKEKPMYEGBO-OLZOCXBDSA-N 2 1 224.348 0.954 40 0 BCABMP CO[C@H]1CCO[C@]2(CCC[N@@H+](CCC[NH3+])C2)C1 ZINC000409426975 343799671 /nfs/dbraw/zinc/79/96/71/343799671.db2.gz DKWDUVJHNCYZOB-QWHCGFSZSA-N 2 1 242.363 0.995 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@H](O)[C@H](CCF)C1 ZINC000409425348 343819270 /nfs/dbraw/zinc/81/92/70/343819270.db2.gz AJCNNHQRYNFYAL-ZJUUUORDSA-N 2 1 204.289 0.378 40 0 BCABMP [NH3+]CCC[N@H+]1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409429428 343805635 /nfs/dbraw/zinc/80/56/35/343805635.db2.gz HKUSBGAKDTYWRT-RYUDHWBXSA-N 2 1 212.337 0.818 40 0 BCABMP [NH3+]CCC[N@H+]1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409430728 343809343 /nfs/dbraw/zinc/80/93/43/343809343.db2.gz IXKWAJDLYCPCAJ-RYUDHWBXSA-N 2 1 228.336 0.341 40 0 BCABMP CCC[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435089 343836356 /nfs/dbraw/zinc/83/63/56/343836356.db2.gz SHABCNHOKJBKPS-MNOVXSKESA-N 2 1 200.326 0.818 40 0 BCABMP C[NH+]1CCN(c2ccc([C@@H](O)C[NH3+])o2)CC1 ZINC000409442678 343863901 /nfs/dbraw/zinc/86/39/01/343863901.db2.gz ZBDWGWKGIYHDAX-VIFPVBQESA-N 2 1 225.292 0.024 40 0 BCABMP CC[C@@H](C)[C@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217794 349253519 /nfs/dbraw/zinc/25/35/19/349253519.db2.gz OIOOWQXSOJKXCN-VXGBXAGGSA-N 2 1 213.369 0.997 40 0 BCABMP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434220 350473566 /nfs/dbraw/zinc/47/35/66/350473566.db2.gz OPLZGDDRRLENTQ-GHMZBOCLSA-N 2 1 224.308 0.104 40 0 BCABMP C([C@@H]1CCCO1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531577 188148057 /nfs/dbraw/zinc/14/80/57/188148057.db2.gz NOZCQDCYRYNLRI-LBPRGKRZSA-N 2 1 240.347 0.620 40 0 BCABMP [NH3+]CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404053 181352545 /nfs/dbraw/zinc/35/25/45/181352545.db2.gz UFPNGJVADXICDU-ZDUSSCGKSA-N 2 1 247.342 0.726 40 0 BCABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccn1 ZINC000096249705 183343581 /nfs/dbraw/zinc/34/35/81/183343581.db2.gz DJDVDQKHCYQPLY-ZIAGYGMSSA-N 2 1 247.342 0.892 40 0 BCABMP CCN(C[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407231 384136505 /nfs/dbraw/zinc/13/65/05/384136505.db2.gz XQPZRJNDHJNIOA-QWRGUYRKSA-N 2 1 227.352 0.666 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000079419567 384142259 /nfs/dbraw/zinc/14/22/59/384142259.db2.gz YPXCUZPYUJMYDU-NEPJUHHUSA-N 2 1 241.379 0.911 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419329 384143527 /nfs/dbraw/zinc/14/35/27/384143527.db2.gz SQILJTQTTDIVEO-NSHDSACASA-N 2 1 227.352 0.524 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000100177618 384283162 /nfs/dbraw/zinc/28/31/62/384283162.db2.gz ZEKNMOYSTCUUIH-GARJFASQSA-N 2 1 239.363 0.855 40 0 BCABMP C[N@@H+](CC1CCN(CC[NH3+])CC1)C1CC1 ZINC000079419082 384496248 /nfs/dbraw/zinc/49/62/48/384496248.db2.gz ZBJPHRVHQQFVEP-UHFFFAOYSA-N 3 1 211.353 0.751 40 0 BCABMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082303072 384663692 /nfs/dbraw/zinc/66/36/92/384663692.db2.gz BDMYDZPNBXSDCW-SNVBAGLBSA-N 2 1 213.325 0.006 40 0 BCABMP C[NH2+][C@]1(C[NH+]2CCCC2)CCCN(C)C1 ZINC000022927809 384778364 /nfs/dbraw/zinc/77/83/64/384778364.db2.gz POECPXOPQNDYMB-GFCCVEGCSA-N 2 1 211.353 0.766 40 0 BCABMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000096523457 385266280 /nfs/dbraw/zinc/26/62/80/385266280.db2.gz KMGUHEOVXWBQHK-WDEREUQCSA-N 2 1 200.326 0.817 40 0 BCABMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000096523457 385266290 /nfs/dbraw/zinc/26/62/90/385266290.db2.gz KMGUHEOVXWBQHK-WDEREUQCSA-N 2 1 200.326 0.817 40 0 BCABMP C[C@H]([NH3+])CN1CC[NH+](C2CCN(C)CC2)CC1 ZINC000096523918 385272767 /nfs/dbraw/zinc/27/27/67/385272767.db2.gz QUBCEUKYJHEVMY-LBPRGKRZSA-N 2 1 240.395 0.045 40 0 BCABMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000019843061 385298231 /nfs/dbraw/zinc/29/82/31/385298231.db2.gz DMWFNNVZSPHPNE-GFCCVEGCSA-N 2 1 239.363 0.670 40 0 BCABMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000019843061 385298234 /nfs/dbraw/zinc/29/82/34/385298234.db2.gz DMWFNNVZSPHPNE-GFCCVEGCSA-N 2 1 239.363 0.670 40 0 BCABMP C[N@H+]1CCCN(c2ncccc2C[NH3+])CC1 ZINC000020217472 173019767 /nfs/dbraw/zinc/01/97/67/173019767.db2.gz WXDZAGRKJZVCQO-UHFFFAOYSA-N 2 1 220.320 0.682 40 0 BCABMP C[N@H+]1CCC[C@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407022 173052831 /nfs/dbraw/zinc/05/28/31/173052831.db2.gz QYHYXKDOOAEMBY-JTQLQIEISA-N 2 1 211.309 0.030 40 0 BCABMP C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072343601 173174829 /nfs/dbraw/zinc/17/48/29/173174829.db2.gz QXOLGIZUZZCDRZ-SNVBAGLBSA-N 2 1 235.335 0.233 40 0 BCABMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH2+]C2)C1 ZINC000306139208 173193235 /nfs/dbraw/zinc/19/32/35/173193235.db2.gz SSCWZVGLASQWRM-OLZOCXBDSA-N 2 1 224.348 0.954 40 0 BCABMP CC[NH+](CC)CCC[NH2+]CC(=O)N1CCCC1 ZINC000020052117 520623055 /nfs/dbraw/zinc/62/30/55/520623055.db2.gz GBXWVERUUPPBEK-UHFFFAOYSA-N 2 1 241.379 0.930 40 0 BCABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035222941 343303446 /nfs/dbraw/zinc/30/34/46/343303446.db2.gz CYYISHHAQAKICG-AAEUAGOBSA-N 2 1 247.342 0.724 40 0 BCABMP COC[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409425695 343820342 /nfs/dbraw/zinc/82/03/42/343820342.db2.gz GNGIHPOXQZXAHM-QWRGUYRKSA-N 2 1 212.337 0.953 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409426370 343822332 /nfs/dbraw/zinc/82/23/32/343822332.db2.gz CDUFPKPAHHGJGX-NWDGAFQWSA-N 2 1 212.337 0.820 40 0 BCABMP C[NH+]1C[C@@H]2CN(c3cc(N)[nH+]cn3)C[C@H]2C1 ZINC000409432034 343825141 /nfs/dbraw/zinc/82/51/41/343825141.db2.gz SQSGUNWPRZUINH-RKDXNWHRSA-N 2 1 219.292 0.057 40 0 BCABMP CCOC[C@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C ZINC000409432636 343826880 /nfs/dbraw/zinc/82/68/80/343826880.db2.gz LMFCFPZOLHQXRO-WDEREUQCSA-N 2 1 200.326 0.940 40 0 BCABMP OC[C@@]12CCC[C@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409430037 343806977 /nfs/dbraw/zinc/80/69/77/343806977.db2.gz IDZGLLKNRKPLNX-AAEUAGOBSA-N 2 1 224.348 0.833 40 0 BCABMP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000409433487 343829011 /nfs/dbraw/zinc/82/90/11/343829011.db2.gz MVRDCEBVQZDTRX-WDEREUQCSA-N 2 1 224.308 0.104 40 0 BCABMP [NH3+]CC[N@@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409433646 343829846 /nfs/dbraw/zinc/82/98/46/343829846.db2.gz NBDUAAAEAFHTHR-NSHDSACASA-N 2 1 212.337 0.820 40 0 BCABMP [NH3+]CC[N@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409433646 343829847 /nfs/dbraw/zinc/82/98/47/343829847.db2.gz NBDUAAAEAFHTHR-NSHDSACASA-N 2 1 212.337 0.820 40 0 BCABMP CCO[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1OC ZINC000409436470 343838180 /nfs/dbraw/zinc/83/81/80/343838180.db2.gz ZZAAKRVVPNQTOU-NXEZZACHSA-N 2 1 202.298 0.071 40 0 BCABMP [NH3+]CC(F)(C[NH3+])Cc1cccc(F)c1 ZINC000585142219 343876723 /nfs/dbraw/zinc/87/67/23/343876723.db2.gz LOPCRXZPTZVYQW-UHFFFAOYSA-N 2 1 200.232 0.994 40 0 BCABMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000026896610 344078009 /nfs/dbraw/zinc/07/80/09/344078009.db2.gz KVPXVSDIYOYVKS-SNVBAGLBSA-N 2 1 226.320 0.623 40 0 BCABMP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257723016 345781741 /nfs/dbraw/zinc/78/17/41/345781741.db2.gz TYHWLXKIAYOOHF-VXGBXAGGSA-N 2 1 239.363 0.526 40 0 BCABMP CC(C)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000036189976 356707215 /nfs/dbraw/zinc/70/72/15/356707215.db2.gz LJPRXIHSKAHUJG-GFCCVEGCSA-N 2 1 239.363 0.681 40 0 BCABMP [NH3+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404066 181355781 /nfs/dbraw/zinc/35/57/81/181355781.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 2 1 247.342 0.726 40 0 BCABMP [NH3+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018166 181355848 /nfs/dbraw/zinc/35/58/48/181355848.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 2 1 233.315 0.336 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000044564418 383918331 /nfs/dbraw/zinc/91/83/31/383918331.db2.gz UGJNENWJXWXPDL-QWRGUYRKSA-N 2 1 227.352 0.570 40 0 BCABMP CC(C)N(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406944 384135418 /nfs/dbraw/zinc/13/54/18/384135418.db2.gz VZLPWAURGYKFNC-SNVBAGLBSA-N 2 1 213.325 0.134 40 0 BCABMP C[NH+](C)C1CCC([N@@H+](C)CCO)CC1 ZINC000079405888 384135745 /nfs/dbraw/zinc/13/57/45/384135745.db2.gz JRXKYDDXBODBBC-UHFFFAOYSA-N 2 1 200.326 0.783 40 0 BCABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@@H+](C)C1 ZINC000079407275 384135758 /nfs/dbraw/zinc/13/57/58/384135758.db2.gz LFPSXISSXRJOII-UWVGGRQHSA-N 2 1 213.325 0.275 40 0 BCABMP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000079407553 384135978 /nfs/dbraw/zinc/13/59/78/384135978.db2.gz VDXPIBBHZUJSPU-MNOVXSKESA-N 2 1 227.352 0.522 40 0 BCABMP CC(C)[N@@H+](CCN)CC1CC[NH+](C)CC1 ZINC000079406312 384136362 /nfs/dbraw/zinc/13/63/62/384136362.db2.gz QQIXKYXMFFTFIT-UHFFFAOYSA-N 2 1 213.369 0.997 40 0 BCABMP CC(C)N(C[C@H]1CCC[N@H+]1C)C(=O)C[NH3+] ZINC000079406941 384136574 /nfs/dbraw/zinc/13/65/74/384136574.db2.gz SIGDXOSYLQFYOU-SNVBAGLBSA-N 2 1 213.325 0.276 40 0 BCABMP CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407210 384136624 /nfs/dbraw/zinc/13/66/24/384136624.db2.gz OYKGTFMXHDQVLW-UWVGGRQHSA-N 2 1 213.325 0.134 40 0 BCABMP C[N@@H+](CC1CCN(C(=O)C[NH3+])CC1)C1CC1 ZINC000079430292 384146730 /nfs/dbraw/zinc/14/67/30/384146730.db2.gz WRKPOCCTKRESMY-UHFFFAOYSA-N 2 1 225.336 0.278 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419472 384142285 /nfs/dbraw/zinc/14/22/85/384142285.db2.gz NAEFKELBJLUQPP-WCBMZHEXSA-N 2 1 211.309 0.029 40 0 BCABMP C[N@H+](C[C@@H]1CCC[NH+](CCO)C1)C1CC1 ZINC000079418925 384144294 /nfs/dbraw/zinc/14/42/94/384144294.db2.gz BEYWAUHRADTXNR-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[N@@H+](C[C@@H]1CCC[NH+](CCO)C1)C1CC1 ZINC000079418925 384144297 /nfs/dbraw/zinc/14/42/97/384144297.db2.gz BEYWAUHRADTXNR-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+](C[C@@H]1CCC[N@H+](CCO)C1)C1CC1 ZINC000079418925 384144300 /nfs/dbraw/zinc/14/43/00/384144300.db2.gz BEYWAUHRADTXNR-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+](C[C@@H]1CCC[N@@H+](CCO)C1)C1CC1 ZINC000079418925 384144301 /nfs/dbraw/zinc/14/43/01/384144301.db2.gz BEYWAUHRADTXNR-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419497 384145170 /nfs/dbraw/zinc/14/51/70/384145170.db2.gz WFEUIYODYUCKQK-VIFPVBQESA-N 2 1 225.336 0.419 40 0 BCABMP C[N@@H+](C1CC1)C1CCC([NH2+]CCO)CC1 ZINC000079418937 384145555 /nfs/dbraw/zinc/14/55/55/384145555.db2.gz RFDMCJNIQPTNLM-UHFFFAOYSA-N 2 1 212.337 0.974 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096240642 384445289 /nfs/dbraw/zinc/44/52/89/384445289.db2.gz JTZCKYZOLYNWBH-OLZOCXBDSA-N 2 1 242.363 0.722 40 0 BCABMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000086432897 384775450 /nfs/dbraw/zinc/77/54/50/384775450.db2.gz BQJLGWDOIHSBNJ-FOSCPWQOSA-N 2 1 210.321 0.726 40 0 BCABMP CCOC(=O)[C@H](C[NH3+])[C@](C)(CC)[NH+](C)C ZINC000072210426 385069099 /nfs/dbraw/zinc/06/90/99/385069099.db2.gz JFBVUDIRGUTJRG-ONGXEEELSA-N 2 1 216.325 0.855 40 0 BCABMP c1cc2c([nH]1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000197913326 385544126 /nfs/dbraw/zinc/54/41/26/385544126.db2.gz VKMGTEGWWZWTTL-UHFFFAOYSA-N 2 1 202.261 0.973 40 0 BCABMP C([C@@H]1CCOC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058541 385904857 /nfs/dbraw/zinc/90/48/57/385904857.db2.gz CZSRLJUSZKDEKH-TUAOUCFPSA-N 2 1 210.321 0.849 40 0 BCABMP C([C@@H]1CCOC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058541 385904863 /nfs/dbraw/zinc/90/48/63/385904863.db2.gz CZSRLJUSZKDEKH-TUAOUCFPSA-N 2 1 210.321 0.849 40 0 BCABMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547661 388399590 /nfs/dbraw/zinc/39/95/90/388399590.db2.gz KQJHUDOKQYCDRG-JQWIXIFHSA-N 2 1 205.305 0.903 40 0 BCABMP CC(C)C[C@@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000020217786 388591091 /nfs/dbraw/zinc/59/10/91/388591091.db2.gz NKNQMZOSROMBJG-GFCCVEGCSA-N 2 1 213.369 0.997 40 0 BCABMP C[N@H+]1CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000242425555 388720894 /nfs/dbraw/zinc/72/08/94/388720894.db2.gz BOUWIZCGCNHTQB-GFCCVEGCSA-N 2 1 211.353 0.766 40 0 BCABMP [NH3+]C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000029050945 132334184 /nfs/dbraw/zinc/33/41/84/132334184.db2.gz SOYJTCRGELSHIV-UHFFFAOYSA-N 2 1 217.276 0.885 40 0 BCABMP CC1=CN2C3=[NH+]CCN3C3=[N+](CCN3C)[C@@H]2C=C1 ZINC000031960620 168122302 /nfs/dbraw/zinc/12/23/02/168122302.db2.gz ILEFVBAVKNNPHH-NSHDSACASA-N 2 1 244.322 0.087 40 0 BCABMP CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[NH3+] ZINC000079406904 169896607 /nfs/dbraw/zinc/89/66/07/169896607.db2.gz LCPUODCYPCBBBH-JTQLQIEISA-N 2 1 213.325 0.135 40 0 BCABMP CCOC(=O)[C@]12CCC[NH2+][C@H]1CC[NH2+]C2 ZINC000044138165 170286779 /nfs/dbraw/zinc/28/67/79/170286779.db2.gz UTPBCDAWLFRZHF-ONGXEEELSA-N 2 1 212.293 0.281 40 0 BCABMP C[NH+]1CCC2(CC1)NN=C1CC[N@@H+](C)C[C@H]12 ZINC000091244424 173003099 /nfs/dbraw/zinc/00/30/99/173003099.db2.gz LMWHQYILCVJMCX-SNVBAGLBSA-N 2 1 222.336 0.362 40 0 BCABMP C[N@@H+]1CCC[C@@H]1c1nc(CCC[NH3+])no1 ZINC000218377954 173037397 /nfs/dbraw/zinc/03/73/97/173037397.db2.gz IRWIEDAYKFUTIU-MRVPVSSYSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CCC[C@@H]1c1nc(CCC[NH3+])no1 ZINC000218377954 173037399 /nfs/dbraw/zinc/03/73/99/173037399.db2.gz IRWIEDAYKFUTIU-MRVPVSSYSA-N 2 1 210.281 0.728 40 0 BCABMP CN1CC[NH+](Cc2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000019470798 173086443 /nfs/dbraw/zinc/08/64/43/173086443.db2.gz ZDMKZXIPKUOWBJ-UHFFFAOYSA-N 2 1 248.330 0.738 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379346 173119281 /nfs/dbraw/zinc/11/92/81/173119281.db2.gz JVZFEGVETJRMMF-VXGBXAGGSA-N 2 1 205.305 0.903 40 0 BCABMP C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000257344218 173173683 /nfs/dbraw/zinc/17/36/83/173173683.db2.gz ZWEPIAGNGYESPC-VIFPVBQESA-N 2 1 221.308 0.191 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522414 259326008 /nfs/dbraw/zinc/32/60/08/259326008.db2.gz ISBDAGONLADELG-SRVKXCTJSA-N 2 1 212.337 0.831 40 0 BCABMP CSCC[C@H]([NH3+])CN1CCC[N@@H+](C)CC1 ZINC000110764256 398300766 /nfs/dbraw/zinc/30/07/66/398300766.db2.gz RZYMZNXQGMTMKD-NSHDSACASA-N 2 1 231.409 0.704 40 0 BCABMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101676987 398344783 /nfs/dbraw/zinc/34/47/83/398344783.db2.gz OWHBLDUFFFRUGE-GHMZBOCLSA-N 2 1 227.352 0.713 40 0 BCABMP Cc1nc(N)cc(N(C)C2CC[NH+](C)CC2)[nH+]1 ZINC000127814017 343787688 /nfs/dbraw/zinc/78/76/88/343787688.db2.gz AKDOVMGSKMYNLJ-UHFFFAOYSA-N 2 1 235.335 0.898 40 0 BCABMP C[NH+]1CCN(C(=O)O[C@@H]2CCC[NH2+]C2)CC1 ZINC000231561868 343794217 /nfs/dbraw/zinc/79/42/17/343794217.db2.gz QPTMJQSHUMQDEI-SNVBAGLBSA-N 2 1 227.308 0.122 40 0 BCABMP CO[C@H]1CCO[C@@]2(CCC[N@@H+](CCC[NH3+])C2)C1 ZINC000409426976 343799729 /nfs/dbraw/zinc/79/97/29/343799729.db2.gz DKWDUVJHNCYZOB-STQMWFEESA-N 2 1 242.363 0.995 40 0 BCABMP CCO[C@H]1C[NH+](C2CC[NH2+]CC2)C[C@@H]1OCC ZINC000409425563 343819687 /nfs/dbraw/zinc/81/96/87/343819687.db2.gz ASIIZXSWYYYMJB-STQMWFEESA-N 2 1 242.363 0.864 40 0 BCABMP COCC[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000409429679 343806077 /nfs/dbraw/zinc/80/60/77/343806077.db2.gz HVNMDUCMQVFFTP-UHFFFAOYSA-N 2 1 242.363 0.866 40 0 BCABMP OC[C@]12CCC[C@@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409430040 343806995 /nfs/dbraw/zinc/80/69/95/343806995.db2.gz IDZGLLKNRKPLNX-DGCLKSJQSA-N 2 1 224.348 0.833 40 0 BCABMP CO[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434325 343831469 /nfs/dbraw/zinc/83/14/69/343831469.db2.gz OPLZGDDRRLENTQ-WDEREUQCSA-N 2 1 224.308 0.104 40 0 BCABMP [NH3+]CCc1noc([C@@H]2C[C@H]3CCC[N@H+]3C2)n1 ZINC000409438034 343849332 /nfs/dbraw/zinc/84/93/32/343849332.db2.gz BUBPGMAXUGDYFL-RKDXNWHRSA-N 2 1 222.292 0.523 40 0 BCABMP CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C[NH3+])c1 ZINC000001669209 534962556 /nfs/dbraw/zinc/96/25/56/534962556.db2.gz DNFUQKCUXOHAIO-UHFFFAOYSA-N 2 1 246.318 0.331 40 0 BCABMP C[NH+]1CCN(C(=O)O[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000231563344 344715775 /nfs/dbraw/zinc/71/57/75/344715775.db2.gz LDJYAKXEJARWPW-NXEZZACHSA-N 2 1 227.308 0.250 40 0 BCABMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409422588 350475043 /nfs/dbraw/zinc/47/50/43/350475043.db2.gz IGTOKZHXNPYDMC-MNOVXSKESA-N 2 1 204.273 0.636 40 0 BCABMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[NH3+])CC1 ZINC000037826014 188114442 /nfs/dbraw/zinc/11/44/42/188114442.db2.gz RRAQFUBUEULZDO-UHFFFAOYSA-N 2 1 227.352 0.524 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936108 538757307 /nfs/dbraw/zinc/75/73/07/538757307.db2.gz FLWXPGIYDMXMFU-NEPJUHHUSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936108 538757312 /nfs/dbraw/zinc/75/73/12/538757312.db2.gz FLWXPGIYDMXMFU-NEPJUHHUSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@H+](C1CC1)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000685936108 538757317 /nfs/dbraw/zinc/75/73/17/538757317.db2.gz FLWXPGIYDMXMFU-NEPJUHHUSA-N 2 1 212.337 0.972 40 0 BCABMP CC(C)[N@@H+](C1CC1)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000685936108 538757325 /nfs/dbraw/zinc/75/73/25/538757325.db2.gz FLWXPGIYDMXMFU-NEPJUHHUSA-N 2 1 212.337 0.972 40 0 BCABMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCO2 ZINC000211538560 358721189 /nfs/dbraw/zinc/72/11/89/358721189.db2.gz KNRJOLPVBUYOAE-RKDXNWHRSA-N 2 1 206.245 0.429 40 0 BCABMP [NH3+]CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404061 181352444 /nfs/dbraw/zinc/35/24/44/181352444.db2.gz WNNQTIVNLONIOQ-ZDUSSCGKSA-N 2 1 247.342 0.583 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccn2)C1 ZINC000074188492 369867898 /nfs/dbraw/zinc/86/78/98/369867898.db2.gz KQJHUDOKQYCDRG-ZYHUDNBSSA-N 2 1 205.305 0.903 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000079407392 384138030 /nfs/dbraw/zinc/13/80/30/384138030.db2.gz HNGGYBXVWVGZEZ-ONGXEEELSA-N 2 1 225.336 0.419 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@@H+](C)C1 ZINC000079407712 384138061 /nfs/dbraw/zinc/13/80/61/384138061.db2.gz RXWBCVMMDVDYHM-RYUDHWBXSA-N 2 1 239.363 0.665 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000079407406 384136322 /nfs/dbraw/zinc/13/63/22/384136322.db2.gz APHGHWHMMIIRFT-JQWIXIFHSA-N 2 1 239.363 0.809 40 0 BCABMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079430285 384146462 /nfs/dbraw/zinc/14/64/62/384146462.db2.gz UWTSFSVFUHAGDV-SNVBAGLBSA-N 2 1 225.336 0.278 40 0 BCABMP C[N@@H+]1CCC[C@@H](C[NH+](CCO)C2CC2)C1 ZINC000079423123 384146615 /nfs/dbraw/zinc/14/66/15/384146615.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[N@H+]1CCC[C@@H](C[NH+](CCO)C2CC2)C1 ZINC000079423123 384146619 /nfs/dbraw/zinc/14/66/19/384146619.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+]1CCC[C@@H](C[N@H+](CCO)C2CC2)C1 ZINC000079423123 384146623 /nfs/dbraw/zinc/14/66/23/384146623.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+]1CCC[C@@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079423123 384146626 /nfs/dbraw/zinc/14/66/26/384146626.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 2 1 212.337 0.785 40 0 BCABMP C[N@@H+](C1CC1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079424917 384146792 /nfs/dbraw/zinc/14/67/92/384146792.db2.gz MFQHRYMVJCKSMU-UHFFFAOYSA-N 2 1 211.309 0.030 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424915 384147077 /nfs/dbraw/zinc/14/70/77/384147077.db2.gz ZPWYMGSPVKIPII-JTQLQIEISA-N 2 1 211.309 0.030 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419519 384142728 /nfs/dbraw/zinc/14/27/28/384142728.db2.gz JDSDHTLGADSAJV-QWRGUYRKSA-N 2 1 239.363 0.666 40 0 BCABMP CC(C)[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079419437 384143501 /nfs/dbraw/zinc/14/35/01/384143501.db2.gz OAIFAQNNYBJBII-JTQLQIEISA-N 2 1 227.352 0.665 40 0 BCABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419477 384144344 /nfs/dbraw/zinc/14/43/44/384144344.db2.gz VROROZNMFSWNNI-GXSJLCMTSA-N 2 1 225.336 0.419 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419429 384144711 /nfs/dbraw/zinc/14/47/11/384144711.db2.gz LKGRNPNOGXRISI-QWRGUYRKSA-N 2 1 227.352 0.665 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419318 384145138 /nfs/dbraw/zinc/14/51/38/384145138.db2.gz KDGSTDXFAATHGU-JTQLQIEISA-N 2 1 213.325 0.276 40 0 BCABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000079407364 384492562 /nfs/dbraw/zinc/49/25/62/384492562.db2.gz SXNOEKHZFPPOTM-WCBMZHEXSA-N 2 1 211.309 0.029 40 0 BCABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+](C)C)CCCC1 ZINC000072210394 385067702 /nfs/dbraw/zinc/06/77/02/385067702.db2.gz MWBNJGPFVAEGBL-SNVBAGLBSA-N 2 1 228.336 0.999 40 0 BCABMP CC(C)[C@@H]([NH3+])CCN1CCC[N@@H+](C)CC1 ZINC000096523795 385268680 /nfs/dbraw/zinc/26/86/80/385268680.db2.gz WVWCPSJSOSQZFK-LBPRGKRZSA-N 2 1 213.369 0.997 40 0 BCABMP c1cc(N2CC[NH2+]CC2)nc(N2CCCCC2)[nH+]1 ZINC000084570285 132426514 /nfs/dbraw/zinc/42/65/14/132426514.db2.gz JSCALQMWZYDWSI-UHFFFAOYSA-N 2 1 247.346 0.877 40 0 BCABMP CC[C@@](C)([C@H](C[NH3+])CO)[NH+]1CCOCC1 ZINC000072210364 322905962 /nfs/dbraw/zinc/90/59/62/322905962.db2.gz YRZOZNRRONVFET-MNOVXSKESA-N 2 1 216.325 0.055 40 0 BCABMP C[NH+]1CCC2(CC1)N[C@H]1CC[N@@H+](C)C[C@@H]1S2 ZINC000031771903 173002970 /nfs/dbraw/zinc/00/29/70/173002970.db2.gz WUJYVICVAOOGLA-QWRGUYRKSA-N 2 1 241.404 0.817 40 0 BCABMP C[N@@H+]1CCC[C@H](C[NH+](CCO)C2CC2)C1 ZINC000079423116 173042053 /nfs/dbraw/zinc/04/20/53/173042053.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[N@H+]1CCC[C@H](C[NH+](CCO)C2CC2)C1 ZINC000079423116 173042055 /nfs/dbraw/zinc/04/20/55/173042055.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+]1CCC[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000079423116 173042058 /nfs/dbraw/zinc/04/20/58/173042058.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[NH+]1CCC[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079423116 173042060 /nfs/dbraw/zinc/04/20/60/173042060.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 2 1 212.337 0.785 40 0 BCABMP C[N@@H+]1CCC[C@H]1c1nnc(CCC[NH3+])o1 ZINC000095828856 173058805 /nfs/dbraw/zinc/05/88/05/173058805.db2.gz QIAFNZKRBXIHFN-QMMMGPOBSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CCC[C@H]1c1nnc(CCC[NH3+])o1 ZINC000095828856 173058808 /nfs/dbraw/zinc/05/88/08/173058808.db2.gz QIAFNZKRBXIHFN-QMMMGPOBSA-N 2 1 210.281 0.728 40 0 BCABMP C[N@H+]1CC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828870 173158899 /nfs/dbraw/zinc/15/88/99/173158899.db2.gz GUFDQPOXHREQJA-QMMMGPOBSA-N 2 1 210.281 0.380 40 0 BCABMP C[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000248045095 522408982 /nfs/dbraw/zinc/40/89/82/522408982.db2.gz MBGOCQJKVLQHJV-MGCOHNPYSA-N 2 1 225.336 0.467 40 0 BCABMP CCOC(=O)[C@H](C[NH3+])[C@H](C(C)C)[NH+](C)C ZINC000072210490 259316902 /nfs/dbraw/zinc/31/69/02/259316902.db2.gz LZAGWLPBYKXSGT-ZJUUUORDSA-N 2 1 216.325 0.711 40 0 BCABMP C[N@H+]1CC[C@H](O)[C@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522417 259326155 /nfs/dbraw/zinc/32/61/55/259326155.db2.gz ISBDAGONLADELG-WOPDTQHZSA-N 2 1 212.337 0.831 40 0 BCABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484888 343310455 /nfs/dbraw/zinc/31/04/55/343310455.db2.gz YQYUNIJMUFIMHF-UWVGGRQHSA-N 2 1 213.325 0.038 40 0 BCABMP CCO[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1OC ZINC000409426766 343799055 /nfs/dbraw/zinc/79/90/55/343799055.db2.gz CXDMXZBXCOCVQI-VXGBXAGGSA-N 2 1 228.336 0.474 40 0 BCABMP CCO[C@@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1OC ZINC000409426766 343799057 /nfs/dbraw/zinc/79/90/57/343799057.db2.gz CXDMXZBXCOCVQI-VXGBXAGGSA-N 2 1 228.336 0.474 40 0 BCABMP C(C1CC1)[N@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409422209 343812811 /nfs/dbraw/zinc/81/28/11/343812811.db2.gz BXMFUKKNXYSGGE-NEPJUHHUSA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409425114 343818080 /nfs/dbraw/zinc/81/80/80/343818080.db2.gz DXXJRGTUQMDICJ-QWRGUYRKSA-N 2 1 210.321 0.707 40 0 BCABMP C1OC[C@@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409425114 343818081 /nfs/dbraw/zinc/81/80/81/343818081.db2.gz DXXJRGTUQMDICJ-QWRGUYRKSA-N 2 1 210.321 0.707 40 0 BCABMP C[N@H+]1C[C@H]2CN(c3cc(N)[nH+]cn3)C[C@H]2C1 ZINC000409432030 343824924 /nfs/dbraw/zinc/82/49/24/343824924.db2.gz SQSGUNWPRZUINH-DTORHVGOSA-N 2 1 219.292 0.057 40 0 BCABMP C[N@@H+]1C[C@H]2CN(c3cc(N)[nH+]cn3)C[C@H]2C1 ZINC000409432030 343824927 /nfs/dbraw/zinc/82/49/27/343824927.db2.gz SQSGUNWPRZUINH-DTORHVGOSA-N 2 1 219.292 0.057 40 0 BCABMP Cn1ccc([C@@H]2CCC[N@@H+](CCC[NH3+])C2)n1 ZINC000409430220 343807787 /nfs/dbraw/zinc/80/77/87/343807787.db2.gz QCIXHYQSGDANLA-LLVKDONJSA-N 2 1 222.336 0.948 40 0 BCABMP CCC[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435090 343836021 /nfs/dbraw/zinc/83/60/21/343836021.db2.gz SHABCNHOKJBKPS-QWRGUYRKSA-N 2 1 200.326 0.818 40 0 BCABMP CCC[C@H]1C[N@@H+](CCC[NH3+])CC[C@H]1O ZINC000409435091 343836309 /nfs/dbraw/zinc/83/63/09/343836309.db2.gz SHABCNHOKJBKPS-WDEREUQCSA-N 2 1 200.326 0.818 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409436308 343838449 /nfs/dbraw/zinc/83/84/49/343838449.db2.gz ZEIDDGWHZUFZAZ-YUMQZZPRSA-N 2 1 226.242 0.438 40 0 BCABMP [NH3+]CCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409436308 343838452 /nfs/dbraw/zinc/83/84/52/343838452.db2.gz ZEIDDGWHZUFZAZ-YUMQZZPRSA-N 2 1 226.242 0.438 40 0 BCABMP CN1C[C@@]2(CCC[N@@H+](Cc3cncn3C)C2)C1=O ZINC000585099364 344131745 /nfs/dbraw/zinc/13/17/45/344131745.db2.gz HQKNYTJASOLAHW-CYBMUJFWSA-N 2 1 248.330 0.474 40 0 BCABMP CN1C[C@@]2(CCCN(Cc3cncn3C)C2)C1=O ZINC000585099364 344131748 /nfs/dbraw/zinc/13/17/48/344131748.db2.gz HQKNYTJASOLAHW-CYBMUJFWSA-N 2 1 248.330 0.474 40 0 BCABMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000082304290 344153460 /nfs/dbraw/zinc/15/34/60/344153460.db2.gz LLZYMMYCHZFZDC-GFCCVEGCSA-N 2 1 239.363 0.492 40 0 BCABMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000082304290 344153462 /nfs/dbraw/zinc/15/34/62/344153462.db2.gz LLZYMMYCHZFZDC-GFCCVEGCSA-N 2 1 239.363 0.492 40 0 BCABMP C[NH+]1CCN(C(=O)O[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000231563433 344716044 /nfs/dbraw/zinc/71/60/44/344716044.db2.gz CVYCKLYWXDYHKV-GHMZBOCLSA-N 2 1 241.335 0.640 40 0 BCABMP Cc1n[nH]c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000075134384 345843479 /nfs/dbraw/zinc/84/34/79/345843479.db2.gz PYNWJXGOVCILCH-UHFFFAOYSA-N 2 1 208.309 0.950 40 0 BCABMP Cc1[nH+]ccn1-c1cc(NCC[NH3+])nc(C)n1 ZINC000217511537 180018236 /nfs/dbraw/zinc/01/82/36/180018236.db2.gz GEESPWGAZCMGFH-UHFFFAOYSA-N 2 1 232.291 0.650 40 0 BCABMP [NH3+]CCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000011919735 181380876 /nfs/dbraw/zinc/38/08/76/181380876.db2.gz QKNHBHAWXBIPFZ-NEPJUHHUSA-N 2 1 247.342 0.616 40 0 BCABMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000011959312 370803427 /nfs/dbraw/zinc/80/34/27/370803427.db2.gz IQHLYENUVUMFMI-ZJUUUORDSA-N 2 1 213.325 0.134 40 0 BCABMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415157 384136546 /nfs/dbraw/zinc/13/65/46/384136546.db2.gz MRKSBRCQDFPUEY-ZDUSSCGKSA-N 2 1 247.342 0.678 40 0 BCABMP CCN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407569 384137388 /nfs/dbraw/zinc/13/73/88/384137388.db2.gz MJBKSWLKZOCHTK-NEPJUHHUSA-N 2 1 241.379 0.912 40 0 BCABMP CC[N@@H+](CCO)C[C@H]1CCC[NH+](C)C1 ZINC000079405975 384137450 /nfs/dbraw/zinc/13/74/50/384137450.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 2 1 200.326 0.642 40 0 BCABMP CC[NH+](CCO)C[C@H]1CCC[N@H+](C)C1 ZINC000079405975 384137457 /nfs/dbraw/zinc/13/74/57/384137457.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 2 1 200.326 0.642 40 0 BCABMP CC[NH+](CCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000079405975 384137463 /nfs/dbraw/zinc/13/74/63/384137463.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 2 1 200.326 0.642 40 0 BCABMP [NH3+]C[C@H](CO)C1([NH+]2CCOCC2)CCCC1 ZINC000072210393 384155052 /nfs/dbraw/zinc/15/50/52/384155052.db2.gz ZGJHSYTWLGIUEQ-LLVKDONJSA-N 2 1 228.336 0.199 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079419325 384142680 /nfs/dbraw/zinc/14/26/80/384142680.db2.gz YPFKVPFHGAPQJY-NSHDSACASA-N 2 1 227.352 0.666 40 0 BCABMP C[N@@H+](C[C@@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079419359 384142937 /nfs/dbraw/zinc/14/29/37/384142937.db2.gz HUKSUYKXKDHYBA-JTQLQIEISA-N 2 1 211.309 0.030 40 0 BCABMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419315 384144918 /nfs/dbraw/zinc/14/49/18/384144918.db2.gz KDGSTDXFAATHGU-SNVBAGLBSA-N 2 1 213.325 0.276 40 0 BCABMP CC(C)[N@H+](C)C[C@@H]1CC[NH+](CCO)C1 ZINC000079418480 384145437 /nfs/dbraw/zinc/14/54/37/384145437.db2.gz QKWWEANSYDPMCM-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[N@@H+](C)C[C@@H]1CC[NH+](CCO)C1 ZINC000079418480 384145441 /nfs/dbraw/zinc/14/54/41/384145441.db2.gz QKWWEANSYDPMCM-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](C)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079418480 384145446 /nfs/dbraw/zinc/14/54/46/384145446.db2.gz QKWWEANSYDPMCM-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[NH+](C)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079418480 384145452 /nfs/dbraw/zinc/14/54/52/384145452.db2.gz QKWWEANSYDPMCM-NSHDSACASA-N 2 1 200.326 0.641 40 0 BCABMP CC(C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178287 384282716 /nfs/dbraw/zinc/28/27/16/384282716.db2.gz QURGNXSTQKULGJ-PHIMTYICSA-N 2 1 227.352 0.713 40 0 BCABMP C[NH2+][C@@]1(C[NH+]2CCCC2)CCCN(C)C1 ZINC000022927805 384779503 /nfs/dbraw/zinc/77/95/03/384779503.db2.gz POECPXOPQNDYMB-LBPRGKRZSA-N 2 1 211.353 0.766 40 0 BCABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000107745753 384997920 /nfs/dbraw/zinc/99/79/20/384997920.db2.gz WDHCBXZNVPBORX-ZSBIGDGJSA-N 2 1 203.289 0.718 40 0 BCABMP CCOC(=O)[C@@H](C[NH3+])[C@@](C)(CC)[NH+](C)C ZINC000072210429 385066776 /nfs/dbraw/zinc/06/67/76/385066776.db2.gz JFBVUDIRGUTJRG-MWLCHTKSSA-N 2 1 216.325 0.855 40 0 BCABMP C([C@H]1CCCO1)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531574 385282083 /nfs/dbraw/zinc/28/20/83/385282083.db2.gz NOZCQDCYRYNLRI-GFCCVEGCSA-N 2 1 240.347 0.620 40 0 BCABMP CCCC[N@@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000036950511 385591382 /nfs/dbraw/zinc/59/13/82/385591382.db2.gz AKPFGQOYJACEGZ-LLVKDONJSA-N 2 1 200.326 0.831 40 0 BCABMP CCCC[N@@H+](C)C[C@@H](O)C[NH2+]C1CC1 ZINC000036950512 385592279 /nfs/dbraw/zinc/59/22/79/385592279.db2.gz AKPFGQOYJACEGZ-NSHDSACASA-N 2 1 200.326 0.831 40 0 BCABMP CNc1ncc(C[NH2+]CCC[NH2+]C)cn1 ZINC000062718390 385726466 /nfs/dbraw/zinc/72/64/66/385726466.db2.gz AVPXUYGBOCBQIV-UHFFFAOYSA-N 2 1 209.297 0.217 40 0 BCABMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950366 385825571 /nfs/dbraw/zinc/82/55/71/385825571.db2.gz ZZJQCKLQXIFZES-CMPLNLGQSA-N 2 1 212.337 0.831 40 0 BCABMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000019478958 386828299 /nfs/dbraw/zinc/82/82/99/386828299.db2.gz OJWCRXQKAMYNEF-SNVBAGLBSA-N 2 1 213.325 0.134 40 0 BCABMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463780 388742457 /nfs/dbraw/zinc/74/24/57/388742457.db2.gz DLDOHIRLUOCARN-NWDGAFQWSA-N 2 1 205.305 0.903 40 0 BCABMP CC1CCN(c2nc(NCC[NH3+])cc[nH+]2)CC1 ZINC000409428583 412335088 /nfs/dbraw/zinc/33/50/88/412335088.db2.gz NEVAZFODKCCAET-UHFFFAOYSA-N 2 1 235.335 1.084 40 0 BCABMP CN(C(=O)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404135 172307752 /nfs/dbraw/zinc/30/77/52/172307752.db2.gz XVLIVSKTCGLTFP-ZDUSSCGKSA-N 2 1 247.342 0.678 40 0 BCABMP C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCO)CC1 ZINC000100178182 172529459 /nfs/dbraw/zinc/52/94/59/172529459.db2.gz JRXKYDDXBODBBC-PHIMTYICSA-N 2 1 200.326 0.783 40 0 BCABMP C[N@H+]1CCC[C@H](c2nnc3n2CC[NH+](C)CC3)C1 ZINC000072352745 173173957 /nfs/dbraw/zinc/17/39/57/173173957.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 2 1 249.362 0.575 40 0 BCABMP C[NH+]1CCC[C@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072352745 173173959 /nfs/dbraw/zinc/17/39/59/173173959.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 2 1 249.362 0.575 40 0 BCABMP C[NH+]1CCC[C@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000072352745 173173962 /nfs/dbraw/zinc/17/39/62/173173962.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 2 1 249.362 0.575 40 0 BCABMP COCC[N@H+](CCC[NH3+])C1CCN(C)CC1 ZINC000096523782 174290361 /nfs/dbraw/zinc/29/03/61/174290361.db2.gz FLFUDOFFRQJNPN-UHFFFAOYSA-N 2 1 229.368 0.378 40 0 BCABMP COCC[N@@H+](CCC[NH3+])C1CCN(C)CC1 ZINC000096523782 174290362 /nfs/dbraw/zinc/29/03/62/174290362.db2.gz FLFUDOFFRQJNPN-UHFFFAOYSA-N 2 1 229.368 0.378 40 0 BCABMP C[C@@H]1C[C@@H](NCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000102759958 177239617 /nfs/dbraw/zinc/23/96/17/177239617.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@@H]1C[C@@H]([NH2+]CCN(C)C)[C@@H](C)C[N@@H+]1C ZINC000102759958 177239618 /nfs/dbraw/zinc/23/96/18/177239618.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 2 1 213.369 0.866 40 0 BCABMP C[C@@H]1C[C@@H]([NH2+]CCN(C)C)[C@@H](C)C[N@H+]1C ZINC000102759958 177239620 /nfs/dbraw/zinc/23/96/20/177239620.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 2 1 213.369 0.866 40 0 BCABMP