smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)C[NH2+]CCCCCCC[NH2+]CC(=O)CN ZINC000026493055 351367135 /nfs/dbraw/zinc/36/71/35/351367135.db2.gz JAXBECHNKMUALI-UHFFFAOYSA-N 2 0 272.393 -0.828 10 0 CBAERP Cc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1 ZINC000039000133 351412711 /nfs/dbraw/zinc/41/27/11/351412711.db2.gz WMYLUTSYYLTZDX-UHFFFAOYSA-N 2 0 257.359 -0.097 10 0 CBAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000040635657 351417694 /nfs/dbraw/zinc/41/76/94/351417694.db2.gz NVOKQKRAOFGFRC-IJLUTSLNSA-N 2 0 253.346 -0.330 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000049230848 351488356 /nfs/dbraw/zinc/48/83/56/351488356.db2.gz OLSPBTVUNVALFF-LLVKDONJSA-N 2 0 268.361 -0.981 10 0 CBAERP NC(=[NH2+])N(C(N)=[NH2+])c1ccc(OC[C@@H](O)CO)cc1 ZINC000138268461 351923998 /nfs/dbraw/zinc/92/39/98/351923998.db2.gz XCRSSTRXHVFICA-QMMMGPOBSA-N 2 0 267.289 -0.988 10 0 CBAERP CC(C)(C(=O)N1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000131219821 351883983 /nfs/dbraw/zinc/88/39/83/351883983.db2.gz GUEOCKNLNWATCM-UHFFFAOYSA-N 2 0 254.378 -0.508 10 0 CBAERP C[NH2+]CCCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131332635 351886308 /nfs/dbraw/zinc/88/63/08/351886308.db2.gz NTYXPIUGESOBIF-UHFFFAOYSA-N 2 0 256.394 -0.262 10 0 CBAERP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000131756127 351888654 /nfs/dbraw/zinc/88/86/54/351888654.db2.gz HAUJQWIEROBIOU-RYUDHWBXSA-N 2 0 282.388 -0.701 10 0 CBAERP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000193689302 352208365 /nfs/dbraw/zinc/20/83/65/352208365.db2.gz YGNJHDXWORWCOW-STQMWFEESA-N 2 0 296.415 -0.168 10 0 CBAERP C[C@H](O)CN1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1C ZINC000261908187 352399690 /nfs/dbraw/zinc/39/96/90/352399690.db2.gz SPLCHHUZQTXNMW-NEPJUHHUSA-N 2 0 285.388 -0.592 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250355582 352372292 /nfs/dbraw/zinc/37/22/92/352372292.db2.gz SCQUEMQVDDONFD-NEPJUHHUSA-N 2 0 255.362 -0.035 10 0 CBAERP CN1CCO[C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000252561150 352378207 /nfs/dbraw/zinc/37/82/07/352378207.db2.gz WDWNNEANYWNHPZ-NWDGAFQWSA-N 2 0 267.373 -0.177 10 0 CBAERP CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000261851602 352398381 /nfs/dbraw/zinc/39/83/81/352398381.db2.gz MJZPZMAXWVXCLY-CHWSQXEVSA-N 2 0 299.415 -0.202 10 0 CBAERP COCCN1CCN(C(=O)[C@H]([NH3+])COC)C[C@H]1C ZINC000262211622 352410003 /nfs/dbraw/zinc/41/00/03/352410003.db2.gz DZBRHIFLWAAMIE-GHMZBOCLSA-N 2 0 259.350 -0.861 10 0 CBAERP COC[C@H]([NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000262331007 352415967 /nfs/dbraw/zinc/41/59/67/352415967.db2.gz RRSRDZVACMDAHL-ZDUSSCGKSA-N 2 0 287.404 -0.034 10 0 CBAERP COCCN1CCN(C(=O)C[C@@H](C[NH3+])OC)C[C@H]1C ZINC000262752985 352432337 /nfs/dbraw/zinc/43/23/37/352432337.db2.gz CJBSTNLDBZHUHZ-NEPJUHHUSA-N 2 0 273.377 -0.471 10 0 CBAERP COCCN1CCN(C(=O)C[C@H](C[NH3+])OC)C[C@@H]1C ZINC000262752986 352432640 /nfs/dbraw/zinc/43/26/40/352432640.db2.gz CJBSTNLDBZHUHZ-NWDGAFQWSA-N 2 0 273.377 -0.471 10 0 CBAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263221652 352439820 /nfs/dbraw/zinc/43/98/20/352439820.db2.gz LXTCKAWVSLTIOE-ZWNOBZJWSA-N 2 0 289.335 -0.548 10 0 CBAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263221646 352439831 /nfs/dbraw/zinc/43/98/31/352439831.db2.gz LXTCKAWVSLTIOE-GWCFXTLKSA-N 2 0 289.335 -0.548 10 0 CBAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263221648 352440330 /nfs/dbraw/zinc/44/03/30/352440330.db2.gz LXTCKAWVSLTIOE-GXFFZTMASA-N 2 0 289.335 -0.548 10 0 CBAERP C[N@H+](CCNC(=O)[C@@H]([NH3+])C1CCOCC1)C1CC1 ZINC000261949029 352401639 /nfs/dbraw/zinc/40/16/39/352401639.db2.gz JYAICLHDAZZHDE-LBPRGKRZSA-N 2 0 255.362 -0.049 10 0 CBAERP C[NH2+]CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000261988364 352403508 /nfs/dbraw/zinc/40/35/08/352403508.db2.gz KWEJRNLRJOYSTF-LLVKDONJSA-N 2 0 257.378 -0.243 10 0 CBAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000263344258 352443515 /nfs/dbraw/zinc/44/35/15/352443515.db2.gz YNMIBZJTSGALEQ-LBPRGKRZSA-N 2 0 255.362 -0.321 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000310801233 352761883 /nfs/dbraw/zinc/76/18/83/352761883.db2.gz ANFJIAWFXSTLKU-STQMWFEESA-N 2 0 259.394 -0.439 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000311693104 352770541 /nfs/dbraw/zinc/77/05/41/352770541.db2.gz KQNKCPOMLFPNNT-RDBSUJKOSA-N 2 0 273.421 -0.193 10 0 CBAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311889778 352771067 /nfs/dbraw/zinc/77/10/67/352771067.db2.gz DAILJWCKNLIRPB-RYUDHWBXSA-N 2 0 291.417 -0.622 10 0 CBAERP O=C(CN1CCNCC1=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328656532 352786210 /nfs/dbraw/zinc/78/62/10/352786210.db2.gz ZKNFSKGUBMSXJQ-LLVKDONJSA-N 2 0 280.372 -0.839 10 0 CBAERP O=C(CC[NH+]1CCC(n2cncn2)CC1)N1CC[NH2+]CC1 ZINC000262211872 137710027 /nfs/dbraw/zinc/71/00/27/137710027.db2.gz TUMWOCFLQXHMDZ-UHFFFAOYSA-N 2 0 292.387 -0.263 10 0 CBAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+]2CCCC2)cn1 ZINC000262299331 137714397 /nfs/dbraw/zinc/71/43/97/137714397.db2.gz PMZZIKNKELKOSP-KGLIPLIRSA-N 2 0 291.399 -0.065 10 0 CBAERP CC(C)(C)OC(=O)NC[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616654811 356106965 /nfs/dbraw/zinc/10/69/65/356106965.db2.gz QTBRNBOIFPMRNT-JTQLQIEISA-N 2 0 258.366 -0.256 10 0 CBAERP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1C[NH3+] ZINC000616635739 356103308 /nfs/dbraw/zinc/10/33/08/356103308.db2.gz LCQIDGZEQIMYII-SNVBAGLBSA-N 2 0 258.366 -0.256 10 0 CBAERP C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631840224 356911206 /nfs/dbraw/zinc/91/12/06/356911206.db2.gz QNURUDUEXNJESN-WDEREUQCSA-N 2 0 263.407 -0.206 10 0 CBAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000638276659 357448562 /nfs/dbraw/zinc/44/85/62/357448562.db2.gz UYMUSAKLNYSFJS-GMXVVIOVSA-N 2 0 255.362 -0.084 10 0 CBAERP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085694 372763017 /nfs/dbraw/zinc/76/30/17/372763017.db2.gz GCWCQCHPCFSUAT-STQMWFEESA-N 2 0 268.405 -0.133 10 0 CBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250422690 372895742 /nfs/dbraw/zinc/89/57/42/372895742.db2.gz ZRRMCZBIYWIJON-YNEHKIRRSA-N 2 0 268.405 -0.134 10 0 CBAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000261669939 372906683 /nfs/dbraw/zinc/90/66/83/372906683.db2.gz ZXHSLQGNGJRIKJ-TZMCWYRMSA-N 2 0 267.373 -0.081 10 0 CBAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000333659524 205563800 /nfs/dbraw/zinc/56/38/00/205563800.db2.gz WUSQBRVHKRSDEF-KBPBESRZSA-N 2 0 297.447 -0.081 10 0 CBAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643774692 374412319 /nfs/dbraw/zinc/41/23/19/374412319.db2.gz LCJCLRFIQLQQSR-CYBMUJFWSA-N 2 0 285.388 -0.597 10 0 CBAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000262255449 190051611 /nfs/dbraw/zinc/05/16/11/190051611.db2.gz LUNJTKNPWNYFNW-MJBXVCDLSA-N 2 0 291.399 -0.067 10 0 CBAERP CN[C@@H](C(=O)NCCN1CCSCC1)c1cnn(C)c1 ZINC000262435742 190055235 /nfs/dbraw/zinc/05/52/35/190055235.db2.gz UJKGRQIXCUQRTP-GFCCVEGCSA-N 2 0 297.428 -0.154 10 0 CBAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])COC ZINC000262283311 285027591 /nfs/dbraw/zinc/02/75/91/285027591.db2.gz LZIQYHJZKOAGSL-GHMZBOCLSA-N 2 0 259.350 -0.813 10 0 CBAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261740535 285036063 /nfs/dbraw/zinc/03/60/63/285036063.db2.gz DJCVVMGUFOFNKJ-KBPBESRZSA-N 2 0 299.415 -0.033 10 0 CBAERP C[NH+]1CCN([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000022563794 171391084 /nfs/dbraw/zinc/39/10/84/171391084.db2.gz MDPLJUGVMRWAQG-NWDGAFQWSA-N 2 0 255.362 -0.143 10 0 CBAERP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000038098287 174113560 /nfs/dbraw/zinc/11/35/60/174113560.db2.gz ZJVSOIJSEJXICE-LLVKDONJSA-N 2 0 291.417 -0.651 10 0 CBAERP C[NH+](C)CCN1C[C@H](CCN2CC[NH2+]CC2)OC1=O ZINC000076407808 177019616 /nfs/dbraw/zinc/01/96/16/177019616.db2.gz ODKMDMHDXBLZJT-LBPRGKRZSA-N 2 0 270.377 -0.336 10 0 CBAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(CC[NH3+])nn1 ZINC000089698846 544436429 /nfs/dbraw/zinc/43/64/29/544436429.db2.gz IGCVHYGBSCTYJM-NSHDSACASA-N 2 0 282.392 -0.057 10 0 CBAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000094441386 544443862 /nfs/dbraw/zinc/44/38/62/544443862.db2.gz YYRQCWUMOAXGCK-ZIAGYGMSSA-N 2 0 280.416 -0.023 10 0 CBAERP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131252112 544459150 /nfs/dbraw/zinc/45/91/50/544459150.db2.gz BNSRSFWYVAUJSD-GFCCVEGCSA-N 2 0 268.405 -0.119 10 0 CBAERP C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131252372 544459707 /nfs/dbraw/zinc/45/97/07/544459707.db2.gz BNSRSFWYVAUJSD-LBPRGKRZSA-N 2 0 268.405 -0.119 10 0 CBAERP CC(C)[C@@H]([NH3+])CC(=O)NCCN1CC[NH+](C)CC1 ZINC000136365881 544463516 /nfs/dbraw/zinc/46/35/16/544463516.db2.gz RMKGNMADNXEKKV-LBPRGKRZSA-N 2 0 256.394 -0.277 10 0 CBAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262074049 544517661 /nfs/dbraw/zinc/51/76/61/544517661.db2.gz BVXQFUPQVHJRTM-WHOHXGKFSA-N 2 0 255.362 -0.444 10 0 CBAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393000321 544578660 /nfs/dbraw/zinc/57/86/60/544578660.db2.gz KFTRTKWPRZBZPA-TUAOUCFPSA-N 2 0 257.378 -0.056 10 0 CBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394377447 544578992 /nfs/dbraw/zinc/57/89/92/544578992.db2.gz DEGUIMISNRZZDJ-MJBXVCDLSA-N 2 0 280.416 -0.133 10 0 CBAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000662260032 419570232 /nfs/dbraw/zinc/57/02/32/419570232.db2.gz GMXQROCSKXTELL-UONOGXRCSA-N 2 0 281.400 -0.086 10 0 CBAERP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH2+]C1 ZINC000394382006 544580624 /nfs/dbraw/zinc/58/06/24/544580624.db2.gz OQUKDJVOLLUCDW-STQMWFEESA-N 2 0 266.389 -0.508 10 0 CBAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394389328 544581531 /nfs/dbraw/zinc/58/15/31/544581531.db2.gz QKAAYIFKSQHHEF-CHWSQXEVSA-N 2 0 268.405 -0.134 10 0 CBAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261740537 419598092 /nfs/dbraw/zinc/59/80/92/419598092.db2.gz DJCVVMGUFOFNKJ-KGLIPLIRSA-N 2 0 299.415 -0.033 10 0 CBAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649277264 419858437 /nfs/dbraw/zinc/85/84/37/419858437.db2.gz QKRMRCAHWUMGNE-NWDGAFQWSA-N 2 0 255.362 -0.177 10 0 CBAERP COC[C@]1(C(=O)NC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649277668 419857795 /nfs/dbraw/zinc/85/77/95/419857795.db2.gz NYGMBUUHTCBTIX-ZDUSSCGKSA-N 2 0 255.362 -0.035 10 0 CBAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649318563 419879537 /nfs/dbraw/zinc/87/95/37/419879537.db2.gz WFYCOUGOHDPOGQ-RYUDHWBXSA-N 2 0 255.362 -0.225 10 0 CBAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000649327822 419892699 /nfs/dbraw/zinc/89/26/99/419892699.db2.gz LXWBQMCMNDMWML-RYUDHWBXSA-N 2 0 253.346 -0.471 10 0 CBAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](C2CCC2)CC1 ZINC000649334100 419895519 /nfs/dbraw/zinc/89/55/19/419895519.db2.gz JECLFJNSICDVER-LBPRGKRZSA-N 2 0 267.373 -0.081 10 0 CBAERP COC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000649350122 419900034 /nfs/dbraw/zinc/90/00/34/419900034.db2.gz GDNZBTUCEJMSKT-AWEZNQCLSA-N 2 0 284.404 -0.881 10 0 CBAERP C[N@H+](C[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1)C1CC1 ZINC000381392405 420198725 /nfs/dbraw/zinc/19/87/25/420198725.db2.gz VAZQTNFVGBCYBK-SNVBAGLBSA-N 2 0 253.350 -0.073 10 0 CBAERP C[C@H](C[NH3+])S(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258835 545083375 /nfs/dbraw/zinc/08/33/75/545083375.db2.gz FVWHKKLOTVQBKY-SSDOTTSWSA-N 2 0 259.335 -0.884 10 0 CBAERP [NH3+]CCOCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258444 545083449 /nfs/dbraw/zinc/08/34/49/545083449.db2.gz PJWNTNKQPZZMED-UHFFFAOYSA-N 2 0 253.306 -0.669 10 0 CBAERP [NH3+]CCCCS(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259193 545083455 /nfs/dbraw/zinc/08/34/55/545083455.db2.gz MFZBNHKZNDXQOF-UHFFFAOYSA-N 2 0 273.362 -0.492 10 0 CBAERP COC[C@](C)([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258591 545083523 /nfs/dbraw/zinc/08/35/23/545083523.db2.gz UHHVGNOIUUQFDC-NSHDSACASA-N 2 0 253.306 -0.670 10 0 CBAERP CO[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259876 545083550 /nfs/dbraw/zinc/08/35/50/545083550.db2.gz KJLXOLQZGFBRHY-GMSGAONNSA-N 2 0 253.306 -0.672 10 0 CBAERP CO[C@@H]1C[NH2+][C@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725258786 545083605 /nfs/dbraw/zinc/08/36/05/545083605.db2.gz ZUCSZDZXQYXGQK-ONGXEEELSA-N 2 0 251.334 -0.184 10 0 CBAERP c1cc(NC[C@H]2C[NH2+]CCOC2)n(C2C[NH2+]C2)n1 ZINC000725260802 545083639 /nfs/dbraw/zinc/08/36/39/545083639.db2.gz ZRQJIBWRWHGCOQ-SNVBAGLBSA-N 2 0 251.334 -0.325 10 0 CBAERP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261749240 295282659 /nfs/dbraw/zinc/28/26/59/295282659.db2.gz CBYSGLMJILUOIL-NWDGAFQWSA-N 2 0 275.418 -0.014 10 0 CBAERP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000563231539 327987579 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COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@H]2C1 ZINC000311604959 352769144 /nfs/dbraw/zinc/76/91/44/352769144.db2.gz UKQCMCZIJKKCLD-KBPBESRZSA-N 2 0 271.405 -0.295 10 0 CBAERP CS(=O)(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000400203204 353800361 /nfs/dbraw/zinc/80/03/61/353800361.db2.gz PKAVLODHXQAXDY-WDEREUQCSA-N 2 0 261.391 -0.391 10 0 CBAERP C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]CCO1 ZINC000638106635 357419743 /nfs/dbraw/zinc/41/97/43/357419743.db2.gz COPBUYKLGCQUOF-AAEUAGOBSA-N 2 0 253.346 -0.329 10 0 CBAERP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854461 357538691 /nfs/dbraw/zinc/53/86/91/357538691.db2.gz PQRGCWNOFRGLQK-STQMWFEESA-N 2 0 267.373 -0.225 10 0 CBAERP CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854455 357538976 /nfs/dbraw/zinc/53/89/76/357538976.db2.gz PQRGCWNOFRGLQK-CHWSQXEVSA-N 2 0 267.373 -0.225 10 0 CBAERP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262831743 283524350 /nfs/dbraw/zinc/52/43/50/283524350.db2.gz VCNXDDSSZIBLAP-VXGBXAGGSA-N 2 0 284.404 -0.040 10 0 CBAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643777246 374411426 /nfs/dbraw/zinc/41/14/26/374411426.db2.gz BZHVZAWCLLYVJP-NEPJUHHUSA-N 2 0 255.362 -0.225 10 0 CBAERP COC[C@@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[NH2+]1 ZINC000643777608 374414111 /nfs/dbraw/zinc/41/41/11/374414111.db2.gz OFQXTZCMFPEBHZ-DGCLKSJQSA-N 2 0 255.362 -0.083 10 0 CBAERP CC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262125613 190048595 /nfs/dbraw/zinc/04/85/95/190048595.db2.gz GBMWUCQPWCBYTN-OLZOCXBDSA-N 2 0 279.388 -0.209 10 0 CBAERP OCCN1CC[NH+]=C1CCCCC1=[NH+]CCN1CCO ZINC000033986116 171829031 /nfs/dbraw/zinc/82/90/31/171829031.db2.gz ZJPJIQGEOFIFSA-UHFFFAOYSA-N 2 0 282.388 -0.040 10 0 CBAERP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101750 174118097 /nfs/dbraw/zinc/11/80/97/174118097.db2.gz UHVBOCKCZQKKAJ-OLZOCXBDSA-N 2 0 267.373 -0.204 10 0 CBAERP CC[NH+](CC)CCCNS(=O)(=O)N(C)CCC[NH3+] ZINC000042524883 174775000 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279393800 /nfs/dbraw/zinc/39/38/00/279393800.db2.gz MDNBWSFRKXVZQT-AAEUAGOBSA-N 2 0 296.415 -0.231 10 0 CBAERP CC[C@@H]1CN(C(=O)CC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000262336119 280348672 /nfs/dbraw/zinc/34/86/72/280348672.db2.gz HGRUBNLQNBOTKA-NWDGAFQWSA-N 2 0 257.378 -0.101 10 0 CBAERP CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CC[N@@H+]1C[C@@H](C)O ZINC000262824532 280352105 /nfs/dbraw/zinc/35/21/05/280352105.db2.gz XWNBSOVJLISDCA-JHJVBQTASA-N 2 0 287.404 -0.346 10 0 CBAERP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000237161708 289157950 /nfs/dbraw/zinc/15/79/50/289157950.db2.gz TWWMQEMKEOMKLI-VXGBXAGGSA-N 2 0 282.388 -0.654 10 0 CBAERP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000246220753 289159896 /nfs/dbraw/zinc/15/98/96/289159896.db2.gz GSXJDVREYDOLEK-XQQFMLRXSA-N 2 0 296.415 -0.360 10 0 CBAERP COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000261669937 293266956 /nfs/dbraw/zinc/26/69/56/293266956.db2.gz ZXHSLQGNGJRIKJ-OCCSQVGLSA-N 2 0 267.373 -0.081 10 0 CBAERP C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862579 336133155 /nfs/dbraw/zinc/13/31/55/336133155.db2.gz DQTNHDWTEURSIK-VXGBXAGGSA-N 2 0 255.362 -0.394 10 0 CBAERP CC(C)[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061653032 519738742 /nfs/dbraw/zinc/73/87/42/519738742.db2.gz XAUDPMHMENXMGG-VXGBXAGGSA-N 2 0 256.394 -0.136 10 0 CBAERP CC[NH2+][C@@H](C)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000061271463 520063163 /nfs/dbraw/zinc/06/31/63/520063163.db2.gz CDBLAVRIQNTUER-LBPRGKRZSA-N 2 0 256.394 -0.262 10 0 CBAERP C[NH+](C)CCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000061643272 521761456 /nfs/dbraw/zinc/76/14/56/521761456.db2.gz YWUDDEVTPLTGRB-UHFFFAOYSA-N 2 0 269.393 -0.809 10 0 CBAERP C[NH+](C)CCN1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000061645330 521762629 /nfs/dbraw/zinc/76/26/29/521762629.db2.gz CDCADKKJVXFIPO-CQSZACIVSA-N 2 0 268.405 -0.180 10 0 CBAERP CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000069051265 523071758 /nfs/dbraw/zinc/07/17/58/523071758.db2.gz 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ZINC000061710076 527260599 /nfs/dbraw/zinc/26/05/99/527260599.db2.gz HVADPDYHAFEWIO-STQMWFEESA-N 2 0 266.341 -0.048 10 0 CBAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126184891 529036623 /nfs/dbraw/zinc/03/66/23/529036623.db2.gz HQOVMRUAUXFQDF-JSGCOSHPSA-N 2 0 296.415 -0.217 10 0 CBAERP [NH3+]CC1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC000091666837 656059047 /nfs/dbraw/zinc/05/90/47/656059047.db2.gz UJAOBZTZNVRLCR-CHWSQXEVSA-N 2 0 297.399 -0.279 10 0 CBAERP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251464581 656122604 /nfs/dbraw/zinc/12/26/04/656122604.db2.gz VDUXXRLXKXAPOV-RYUDHWBXSA-N 2 0 273.402 -0.152 10 0 CBAERP C[C@@H]1COCCN1CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261865594 656127023 /nfs/dbraw/zinc/12/70/23/656127023.db2.gz SNTXJQWRXNJCSP-DGCLKSJQSA-N 2 0 285.388 -0.423 10 0 CBAERP CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000262429287 656132172 /nfs/dbraw/zinc/13/21/72/656132172.db2.gz STIMFBXWSGSENA-GRYCIOLGSA-N 2 0 257.378 -0.115 10 0 CBAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[NH2+]CCOC1 ZINC000700478185 656175923 /nfs/dbraw/zinc/17/59/23/656175923.db2.gz KAEVKRRSYWLLLV-FRRDWIJNSA-N 2 0 283.372 -0.798 10 0 CBAERP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[NH2+]CCOC1 ZINC000700478194 656176415 /nfs/dbraw/zinc/17/64/15/656176415.db2.gz KAEVKRRSYWLLLV-RWMBFGLXSA-N 2 0 283.372 -0.798 10 0 CBAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702418362 656180885 /nfs/dbraw/zinc/18/08/85/656180885.db2.gz BPTQWZDYPCPAQU-WOPDTQHZSA-N 2 0 254.378 -0.430 10 0 CBAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702425825 656181379 /nfs/dbraw/zinc/18/13/79/656181379.db2.gz BEIOIUCRJXHTMM-RYUDHWBXSA-N 2 0 256.394 -0.182 10 0 CBAERP C[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705909080 656187514 /nfs/dbraw/zinc/18/75/14/656187514.db2.gz BCOIQIDXPYOAIC-JHJVBQTASA-N 3 0 270.421 -0.208 10 0 CBAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708852664 656194663 /nfs/dbraw/zinc/19/46/63/656194663.db2.gz LRUFLFYXMKNFLH-ZDEQEGDKSA-N 2 0 260.378 -0.075 10 0 CBAERP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085365392 179036651 /nfs/dbraw/zinc/03/66/51/179036651.db2.gz NPYWGCMVYCHUSA-VXGBXAGGSA-N 2 0 254.378 -0.523 10 0 CBAERP CCC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+](C)C ZINC000135022546 282719406 /nfs/dbraw/zinc/71/94/06/282719406.db2.gz XZTOSMJOLCMGMP-ZDUSSCGKSA-N 2 0 298.431 -0.051 10 0 CBAERP [NH3+]C[C@@H](O)C[NH2+]CCCCCCCC[NH2+]C[C@@H](O)C[NH3+] ZINC000013650060 351338014 /nfs/dbraw/zinc/33/80/14/351338014.db2.gz VYACBFOHRYDHRR-OKILXGFUSA-N 4 0 290.452 -0.855 10 0 CBAERP C[NH+](C)[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000062967584 351577775 /nfs/dbraw/zinc/57/77/75/351577775.db2.gz IRFKEPQQOQSTRK-LLVKDONJSA-N 2 0 255.362 -0.096 10 0 CBAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079521720 351693152 /nfs/dbraw/zinc/69/31/52/351693152.db2.gz KFEUDJNPYXFNCO-WCQYABFASA-N 2 0 254.378 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/nfs/dbraw/zinc/25/23/42/352252342.db2.gz HZUNVFSAUCXUIC-LBPRGKRZSA-N 2 0 268.405 -0.119 10 0 CBAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000250487173 352373130 /nfs/dbraw/zinc/37/31/30/352373130.db2.gz FGTNFEODSVKDIQ-IJLUTSLNSA-N 2 0 255.362 -0.444 10 0 CBAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000251892536 352376099 /nfs/dbraw/zinc/37/60/99/352376099.db2.gz VRQYOUOVLLAUES-STQMWFEESA-N 2 0 266.389 -0.413 10 0 CBAERP Cn1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000261771666 352396832 /nfs/dbraw/zinc/39/68/32/352396832.db2.gz OQRXFAHSNRFDSV-ZMLRMANQSA-N 2 0 278.356 -0.747 10 0 CBAERP COCCN1CCN(C(=O)[C@@H]([NH3+])COC)C[C@H]1C ZINC000262211625 352409873 /nfs/dbraw/zinc/40/98/73/352409873.db2.gz DZBRHIFLWAAMIE-MNOVXSKESA-N 2 0 259.350 -0.861 10 0 CBAERP COC[C@@H]([NH3+])C(=O)N1CCN(Cc2c(C)noc2C)CC1 ZINC000262225767 352411465 /nfs/dbraw/zinc/41/14/65/352411465.db2.gz GEBKDBKNQPJENN-CYBMUJFWSA-N 2 0 296.371 -0.091 10 0 CBAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262228671 352411610 /nfs/dbraw/zinc/41/16/10/352411610.db2.gz GNICPVNKTMYVQU-QWHCGFSZSA-N 2 0 287.404 -0.081 10 0 CBAERP COC[C@@H]([NH3+])C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000262272682 352413496 /nfs/dbraw/zinc/41/34/96/352413496.db2.gz KPSFWHOVRBBMPV-GFCCVEGCSA-N 2 0 281.360 -0.962 10 0 CBAERP COC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000262331006 352416002 /nfs/dbraw/zinc/41/60/02/352416002.db2.gz RRSRDZVACMDAHL-CYBMUJFWSA-N 2 0 287.404 -0.034 10 0 CBAERP COCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262329101 352416560 /nfs/dbraw/zinc/41/65/60/352416560.db2.gz SDCURTKSHPYKNQ-GFCCVEGCSA-N 2 0 285.388 -0.421 10 0 CBAERP COC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000262360637 352418326 /nfs/dbraw/zinc/41/83/26/352418326.db2.gz VNDFHWDIUDAYIB-GFCCVEGCSA-N 2 0 287.404 -0.034 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000311604966 352769252 /nfs/dbraw/zinc/76/92/52/352769252.db2.gz UKQCMCZIJKKCLD-KGLIPLIRSA-N 2 0 271.405 -0.295 10 0 CBAERP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000400184910 353800610 /nfs/dbraw/zinc/80/06/10/353800610.db2.gz TYRDIJISSSSJDQ-AXFHLTTASA-N 2 0 261.391 -0.392 10 0 CBAERP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000631842291 356911228 /nfs/dbraw/zinc/91/12/28/356911228.db2.gz YBKHLVUHLMEQSL-ZJUUUORDSA-N 2 0 266.345 -0.889 10 0 CBAERP COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000261669933 372907434 /nfs/dbraw/zinc/90/74/34/372907434.db2.gz ZXHSLQGNGJRIKJ-GXTWGEPZSA-N 2 0 267.373 -0.081 10 0 CBAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367489395 373537394 /nfs/dbraw/zinc/53/73/94/373537394.db2.gz LVHLERCVAANDOW-YPMHNXCESA-N 2 0 255.362 -0.217 10 0 CBAERP CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000514726282 373761960 /nfs/dbraw/zinc/76/19/60/373761960.db2.gz KKIHMJKOJGBKLP-RYUDHWBXSA-N 2 0 275.418 -0.143 10 0 CBAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000262283313 285025909 /nfs/dbraw/zinc/02/59/09/285025909.db2.gz LZIQYHJZKOAGSL-MNOVXSKESA-N 2 0 259.350 -0.813 10 0 CBAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262413334 285032227 /nfs/dbraw/zinc/03/22/27/285032227.db2.gz ZKCBAIUZKHULRD-ZDUSSCGKSA-N 2 0 299.415 -0.031 10 0 CBAERP CC[NH+]1CCN(CCC(=O)NC[C@@H](C)[NH2+]C)CC1 ZINC000261786350 285314965 /nfs/dbraw/zinc/31/49/65/285314965.db2.gz QMAVSLGGCOHFMU-GFCCVEGCSA-N 2 0 256.394 -0.262 10 0 CBAERP C[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000261642978 296505912 /nfs/dbraw/zinc/50/59/12/296505912.db2.gz AWHKSXYJWFFRDJ-UPJWGTAASA-N 2 0 296.415 -0.170 10 0 CBAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1CC[NH2+]CC1 ZINC000037631331 411624888 /nfs/dbraw/zinc/62/48/88/411624888.db2.gz XWHFSAZGBGXJFV-CYBMUJFWSA-N 2 0 270.421 -0.016 10 0 CBAERP C[C@H](CN1CCC[N@H+](CCCC[NH3+])CC1)C(N)=O ZINC000037227026 173047260 /nfs/dbraw/zinc/04/72/60/173047260.db2.gz WSWDNGLYPGGTQG-GFCCVEGCSA-N 2 0 256.394 -0.146 10 0 CBAERP C[N@H+](CCC(=O)Nc1cccc(C[NH3+])c1)CC(N)=O ZINC000037268390 173079697 /nfs/dbraw/zinc/07/96/97/173079697.db2.gz NINNDBZLASQQCB-UHFFFAOYSA-N 2 0 264.329 -0.109 10 0 CBAERP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCCCC1 ZINC000038029505 174020145 /nfs/dbraw/zinc/02/01/45/174020145.db2.gz IUEPVYHULPNKHZ-WOPDTQHZSA-N 2 0 255.362 -0.300 10 0 CBAERP CCN(CCC[NH2+]C1CC[NH2+]CC1)S(C)(=O)=O ZINC000038041592 174043285 /nfs/dbraw/zinc/04/32/85/174043285.db2.gz VTXHRYYSAQURBA-UHFFFAOYSA-N 2 0 263.407 0.000 10 0 CBAERP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101751 174117982 /nfs/dbraw/zinc/11/79/82/174117982.db2.gz UHVBOCKCZQKKAJ-CHWSQXEVSA-N 2 0 267.373 -0.204 10 0 CBAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCC[NH2+]CC1 ZINC000071189520 176065796 /nfs/dbraw/zinc/06/57/96/176065796.db2.gz RXJKPZUKSQSSFW-CYBMUJFWSA-N 2 0 268.405 -0.308 10 0 CBAERP C[NH+](C)CCN1C[C@@H](CCN2CC[NH2+]CC2)OC1=O ZINC000076407812 177019353 /nfs/dbraw/zinc/01/93/53/177019353.db2.gz ODKMDMHDXBLZJT-GFCCVEGCSA-N 2 0 270.377 -0.336 10 0 CBAERP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCCCCC1 ZINC000261900750 544517881 /nfs/dbraw/zinc/51/78/81/544517881.db2.gz AGOROYPNPORPLU-UPJWGTAASA-N 2 0 269.389 -0.053 10 0 CBAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000392909652 544578403 /nfs/dbraw/zinc/57/84/03/544578403.db2.gz ZJVMRTMVGHMEJV-SRVKXCTJSA-N 2 0 255.362 -0.300 10 0 CBAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394389329 544580829 /nfs/dbraw/zinc/58/08/29/544580829.db2.gz QKAAYIFKSQHHEF-OLZOCXBDSA-N 2 0 268.405 -0.134 10 0 CBAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000662910503 419767611 /nfs/dbraw/zinc/76/76/11/419767611.db2.gz OKZABNJFZYLASP-RYUDHWBXSA-N 2 0 255.362 -0.177 10 0 CBAERP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000649297977 419867039 /nfs/dbraw/zinc/86/70/39/419867039.db2.gz ICCBVCSKISSVSR-AAEUAGOBSA-N 2 0 255.362 -0.177 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649305812 419873258 /nfs/dbraw/zinc/87/32/58/419873258.db2.gz CUHKUMPHIPBTQB-VXGBXAGGSA-N 2 0 255.362 -0.177 10 0 CBAERP O=C([C@@H]1C[NH2+]CCOC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000649311536 419875021 /nfs/dbraw/zinc/87/50/21/419875021.db2.gz YHEHVYOSCYSNKW-CHWSQXEVSA-N 2 0 267.373 -0.081 10 0 CBAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000649319761 419882138 /nfs/dbraw/zinc/88/21/38/419882138.db2.gz XDMDVYTYFVKAHU-WDEREUQCSA-N 2 0 255.362 -0.179 10 0 CBAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000649319759 419884089 /nfs/dbraw/zinc/88/40/89/419884089.db2.gz XDMDVYTYFVKAHU-MNOVXSKESA-N 2 0 255.362 -0.179 10 0 CBAERP O=C(NCC[NH+]1CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649282003 419861378 /nfs/dbraw/zinc/86/13/78/419861378.db2.gz BFDNUKVOGMDDMX-LBPRGKRZSA-N 2 0 255.362 -0.176 10 0 CBAERP COC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000649352665 419903614 /nfs/dbraw/zinc/90/36/14/419903614.db2.gz CNYAHPXVRWIXKS-JSGCOSHPSA-N 2 0 284.404 -0.883 10 0 CBAERP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CC[NH2+]C1 ZINC000665230845 419938595 /nfs/dbraw/zinc/93/85/95/419938595.db2.gz WSJCEVTZRKSUQZ-MNOVXSKESA-N 2 0 263.407 -0.145 10 0 CBAERP CN1CCO[C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000407259650 420228089 /nfs/dbraw/zinc/22/80/89/420228089.db2.gz JXUQKILTTUUPIO-AGIUHOORSA-N 2 0 267.373 -0.036 10 0 CBAERP CO[C@H]1C[NH2+]C[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258196 545083388 /nfs/dbraw/zinc/08/33/88/545083388.db2.gz KFVDKTDXTQEZAO-KOLCDFICSA-N 2 0 251.334 -0.326 10 0 CBAERP C[C@@H](C[NH3+])S(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258836 545083420 /nfs/dbraw/zinc/08/34/20/545083420.db2.gz FVWHKKLOTVQBKY-ZETCQYMHSA-N 2 0 259.335 -0.884 10 0 CBAERP CN(C)CC[NH2+]CCNc1ccnn1C1C[NH2+]C1 ZINC000725258581 545083427 /nfs/dbraw/zinc/08/34/27/545083427.db2.gz UBUCXYDSQZIFSL-UHFFFAOYSA-N 2 0 252.366 -0.410 10 0 CBAERP CSCC[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258485 545083441 /nfs/dbraw/zinc/08/34/41/545083441.db2.gz QJAGVTDMJQKIQJ-UHFFFAOYSA-N 2 0 269.374 -0.082 10 0 CBAERP CO[C@@H](CC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258086 545083477 /nfs/dbraw/zinc/08/34/77/545083477.db2.gz FYGWOPVKLRVOQU-VIFPVBQESA-N 2 0 253.306 -0.670 10 0 CBAERP COC[C@@](C)([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258590 545083561 /nfs/dbraw/zinc/08/35/61/545083561.db2.gz UHHVGNOIUUQFDC-LLVKDONJSA-N 2 0 253.306 -0.670 10 0 CBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1C[C@@H](F)C[NH2+]1 ZINC000725260505 545083793 /nfs/dbraw/zinc/08/37/93/545083793.db2.gz VBGNGZVZXRDGMN-VXNVDRBHSA-N 2 0 253.281 -0.334 10 0 CBAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)C[NH3+] ZINC000092629873 279324574 /nfs/dbraw/zinc/32/45/74/279324574.db2.gz JEWCMDKCUBZGHN-JTQLQIEISA-N 2 0 256.350 -0.996 10 0 CBAERP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000262429295 280365240 /nfs/dbraw/zinc/36/52/40/280365240.db2.gz STIMFBXWSGSENA-QJPTWQEYSA-N 2 0 257.378 -0.115 10 0 CBAERP CC[C@H]1CN(C(=O)C[C@H](C[NH3+])OC)CC[N@@H+]1CCOC ZINC000262745807 288259519 /nfs/dbraw/zinc/25/95/19/288259519.db2.gz AFXIMPUIUPZUOR-QWHCGFSZSA-N 2 0 287.404 -0.081 10 0 CBAERP C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862569 336133142 /nfs/dbraw/zinc/13/31/42/336133142.db2.gz DQTNHDWTEURSIK-NEPJUHHUSA-N 2 0 255.362 -0.394 10 0 CBAERP CC(C)[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061653031 519735396 /nfs/dbraw/zinc/73/53/96/519735396.db2.gz XAUDPMHMENXMGG-NEPJUHHUSA-N 2 0 256.394 -0.136 10 0 CBAERP CC[NH2+]CCS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000049641527 519926719 /nfs/dbraw/zinc/92/67/19/519926719.db2.gz XLMIJAPSAWRPKP-UHFFFAOYSA-N 2 0 263.407 -0.048 10 0 CBAERP CCC[NH2+][C@H](CCN1CC[NH+](CC)CC1)C(N)=O ZINC000062439713 520074314 /nfs/dbraw/zinc/07/43/14/520074314.db2.gz JOQVERCTEXVWBU-GFCCVEGCSA-N 2 0 256.394 -0.133 10 0 CBAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000049226456 519793689 /nfs/dbraw/zinc/79/36/89/519793689.db2.gz JYJVERBDGJIJNO-LLVKDONJSA-N 2 0 278.422 -0.688 10 0 CBAERP C[NH+](C)CCN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000061645289 521762348 /nfs/dbraw/zinc/76/23/48/521762348.db2.gz JOGDVLPKPLKCEZ-UHFFFAOYSA-N 2 0 268.405 -0.308 10 0 CBAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000061654939 521765770 /nfs/dbraw/zinc/76/57/70/521765770.db2.gz ODPPYIFDYDEWGZ-KGLIPLIRSA-N 3 0 270.421 -0.328 10 0 CBAERP CN[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(N)=O ZINC000062460404 522458965 /nfs/dbraw/zinc/45/89/65/522458965.db2.gz JXIRCOUSWSGYHM-GFCCVEGCSA-N 2 0 256.394 -0.277 10 0 CBAERP CN(CCC[NH3+])S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000049575326 522740935 /nfs/dbraw/zinc/74/09/35/522740935.db2.gz GMPRBTPJRHCPME-UHFFFAOYSA-N 2 0 278.422 -0.413 10 0 CBAERP CC[C@H](C)[NH+]1CCN(CC[C@](C)([NH3+])C(N)=O)CC1 ZINC000055070949 523953870 /nfs/dbraw/zinc/95/38/70/523953870.db2.gz WOCHVHZCDQGSMU-AAEUAGOBSA-N 2 0 256.394 -0.005 10 0 CBAERP C[NH+](C)C1CCN([C@H]2CS(=O)(=O)C[C@H]2[NH3+])CC1 ZINC000054493041 524040923 /nfs/dbraw/zinc/04/09/23/524040923.db2.gz ASQPDFBOLXZGHA-MNOVXSKESA-N 2 0 261.391 -0.863 10 0 CBAERP C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049181470 524592999 /nfs/dbraw/zinc/59/29/99/524592999.db2.gz ADUIIPPQAGXRMN-NSHDSACASA-N 2 0 278.422 -0.414 10 0 CBAERP CC(C)[NH+]1CCC(C(N)=O)(N2CC[NH2+]CC2)CC1 ZINC000037945641 570248814 /nfs/dbraw/zinc/24/88/14/570248814.db2.gz GZEGTHOFZBOFNZ-UHFFFAOYSA-N 2 0 254.378 -0.380 10 0 CBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136209794 582125744 /nfs/dbraw/zinc/12/57/44/582125744.db2.gz MJSYIDZDFVPTFA-TZMCWYRMSA-N 2 0 268.405 -0.119 10 0 CBAERP C[NH+](C)[C@H](CNC(=O)[C@@H](N)CC(N)=O)c1cccs1 ZINC000040827295 656005447 /nfs/dbraw/zinc/00/54/47/656005447.db2.gz XWJMWLCWRDYKPK-DTWKUNHWSA-N 2 0 284.385 -0.330 10 0 CBAERP CC1CC[NH+](CCNC(=O)[C@@H](N)CC(N)=O)CC1 ZINC000040772687 656005490 /nfs/dbraw/zinc/00/54/90/656005490.db2.gz YUNSYQUCDHDHEH-JTQLQIEISA-N 2 0 256.350 -0.963 10 0 CBAERP CC1CC[NH+](CCNC(=O)[C@H](N)CC(N)=O)CC1 ZINC000040772684 656005687 /nfs/dbraw/zinc/00/56/87/656005687.db2.gz YUNSYQUCDHDHEH-SNVBAGLBSA-N 2 0 256.350 -0.963 10 0 CBAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000053298762 656026163 /nfs/dbraw/zinc/02/61/63/656026163.db2.gz IXEXVZQVYIDLEP-GFCCVEGCSA-N 2 0 255.362 -0.081 10 0 CBAERP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070100138 656039761 /nfs/dbraw/zinc/03/97/61/656039761.db2.gz YAUSDXUFCCBNAZ-STQMWFEESA-N 2 0 287.404 -0.441 10 0 CBAERP Nc1nc(CC[NH2+]C[C@]2(O)CCC[NH2+]C2)cs1 ZINC000072430467 656042352 /nfs/dbraw/zinc/04/23/52/656042352.db2.gz FWTZSTXRRKLZGH-NSHDSACASA-N 2 0 256.375 -0.028 10 0 CBAERP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261594067 656125522 /nfs/dbraw/zinc/12/55/22/656125522.db2.gz NHUKRPQFKGVPBH-OLZOCXBDSA-N 2 0 268.405 -0.119 10 0 CBAERP C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261865601 656127124 /nfs/dbraw/zinc/12/71/24/656127124.db2.gz SNTXJQWRXNJCSP-YPMHNXCESA-N 2 0 285.388 -0.423 10 0 CBAERP COC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000262019813 656127640 /nfs/dbraw/zinc/12/76/40/656127640.db2.gz AGLYMTHPYGNIMC-WCQYABFASA-N 2 0 287.404 -0.489 10 0 CBAERP NC(=O)NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328285292 656149094 /nfs/dbraw/zinc/14/90/94/656149094.db2.gz STZCQNRRZANKQQ-NEPJUHHUSA-N 2 0 276.340 -0.144 10 0 CBAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702425815 656181437 /nfs/dbraw/zinc/18/14/37/656181437.db2.gz BEIOIUCRJXHTMM-NEPJUHHUSA-N 2 0 256.394 -0.182 10 0 CBAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000705821759 656187000 /nfs/dbraw/zinc/18/70/00/656187000.db2.gz AJTIPBXQACWUAO-BFHYXJOUSA-N 3 0 282.432 -0.206 10 0 CBAERP CN(C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CN(C)CCO1 ZINC000707868066 656190603 /nfs/dbraw/zinc/19/06/03/656190603.db2.gz KIXQDYJTVWQEBC-KBPBESRZSA-N 2 0 271.405 -0.295 10 0 CBAERP CN(C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CN(C)CCO1 ZINC000707868067 656190952 /nfs/dbraw/zinc/19/09/52/656190952.db2.gz KIXQDYJTVWQEBC-KGLIPLIRSA-N 2 0 271.405 -0.295 10 0 CBAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708852661 656194783 /nfs/dbraw/zinc/19/47/83/656194783.db2.gz LRUFLFYXMKNFLH-MROQNXINSA-N 2 0 260.378 -0.075 10 0 CBAERP CO[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@](C)(C[NH3+])C1 ZINC000708976820 656195215 /nfs/dbraw/zinc/19/52/15/656195215.db2.gz HJZVSHUKLSVLLM-RDBSUJKOSA-N 2 0 271.405 -0.119 10 0 CBAERP CN1CCO[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710965286 656205164 /nfs/dbraw/zinc/20/51/64/656205164.db2.gz SBAGPFMESXXJRD-IJLUTSLNSA-N 2 0 255.362 -0.049 10 0 CBAERP O=C(N1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715454427 656219771 /nfs/dbraw/zinc/21/97/71/656219771.db2.gz SAQXDSKZEADDEX-WCQYABFASA-N 2 0 253.346 -0.566 10 0 CBAERP CC(C)(C)OC(=O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC000034496195 351384569 /nfs/dbraw/zinc/38/45/69/351384569.db2.gz CSKOCUPUEKOSOU-UHFFFAOYSA-N 2 0 286.420 -0.588 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ZRVLZLFFIZPBPE-CYBMUJFWSA-N 2 0 289.445 -0.080 10 0 CBAERP [NH3+]CC(=O)NCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101701 174117945 /nfs/dbraw/zinc/11/79/45/174117945.db2.gz BBUFYFSZFXDGAG-UHFFFAOYSA-N 2 0 268.361 -0.852 10 0 CBAERP CC(C)N(C)S(=O)(=O)NC1(C[NH3+])CC[NH+](C)CC1 ZINC000042520186 174771373 /nfs/dbraw/zinc/77/13/73/174771373.db2.gz LWIUAJMSQWFPNN-UHFFFAOYSA-N 2 0 278.422 -0.416 10 0 CBAERP C[NH+](C)CCCN1C[C@@H](CN2CC[NH2+]CC2)CC1=O ZINC000071599903 176225367 /nfs/dbraw/zinc/22/53/67/176225367.db2.gz ABGBZCAAGMKMOI-CYBMUJFWSA-N 2 0 268.405 -0.308 10 0 CBAERP CC[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[NH+](CC)CC ZINC000262362265 287494683 /nfs/dbraw/zinc/49/46/83/287494683.db2.gz VHPFXYXRTARTLA-TUAOUCFPSA-N 2 0 257.378 -0.197 10 0 CBAERP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089454543 544436643 /nfs/dbraw/zinc/43/66/43/544436643.db2.gz WEHYAJROTSVRQE-STQMWFEESA-N 2 0 268.405 -0.275 10 0 CBAERP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089454536 544436983 /nfs/dbraw/zinc/43/69/83/544436983.db2.gz WEHYAJROTSVRQE-CHWSQXEVSA-N 2 0 268.405 -0.275 10 0 CBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462804 544437046 /nfs/dbraw/zinc/43/70/46/544437046.db2.gz CYRGMYFGQWIAQN-JHJVBQTASA-N 2 0 268.405 -0.277 10 0 CBAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000094460062 544444247 /nfs/dbraw/zinc/44/42/47/544444247.db2.gz VRQYOUOVLLAUES-CHWSQXEVSA-N 2 0 266.389 -0.413 10 0 CBAERP [NH3+]C1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000132158560 544460226 /nfs/dbraw/zinc/46/02/26/544460226.db2.gz OCUDWGQLUAZRNR-ZDUSSCGKSA-N 2 0 297.399 -0.183 10 0 CBAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000136467105 544464683 /nfs/dbraw/zinc/46/46/83/544464683.db2.gz HPMICGPDOJGWFL-NEPJUHHUSA-N 2 0 256.394 -0.278 10 0 CBAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000262078677 544517246 /nfs/dbraw/zinc/51/72/46/544517246.db2.gz DUGYRHVDFJWGHS-OCCSQVGLSA-N 2 0 273.340 -0.063 10 0 CBAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262074047 544517993 /nfs/dbraw/zinc/51/79/93/544517993.db2.gz BVXQFUPQVHJRTM-USZNOCQGSA-N 2 0 255.362 -0.444 10 0 CBAERP NC(=O)C1(N2CC[NH2+]CC2)CC[NH+](C2CC2)CC1 ZINC000310739509 544527764 /nfs/dbraw/zinc/52/77/64/544527764.db2.gz AKAFLMNPHNTSHE-UHFFFAOYSA-N 2 0 252.362 -0.626 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000042359213 419426670 /nfs/dbraw/zinc/42/66/70/419426670.db2.gz VHOHTFPWSRBUJC-GFCCVEGCSA-N 2 0 254.378 -0.508 10 0 CBAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393000319 544579013 /nfs/dbraw/zinc/57/90/13/544579013.db2.gz KFTRTKWPRZBZPA-SRVKXCTJSA-N 2 0 257.378 -0.056 10 0 CBAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394389331 544580280 /nfs/dbraw/zinc/58/02/80/544580280.db2.gz QKAAYIFKSQHHEF-STQMWFEESA-N 2 0 268.405 -0.134 10 0 CBAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394393298 544581852 /nfs/dbraw/zinc/58/18/52/544581852.db2.gz XWROHXSDAKPXII-BFHYXJOUSA-N 2 0 280.416 -0.119 10 0 CBAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394393362 544581935 /nfs/dbraw/zinc/58/19/35/544581935.db2.gz YOILJULJBXEVSU-KBPBESRZSA-N 2 0 280.416 -0.118 10 0 CBAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308164 419873379 /nfs/dbraw/zinc/87/33/79/419873379.db2.gz PELYIIKBCQVOTP-GHMZBOCLSA-N 2 0 253.346 -0.425 10 0 CBAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308165 419874521 /nfs/dbraw/zinc/87/45/21/419874521.db2.gz PELYIIKBCQVOTP-MNOVXSKESA-N 2 0 253.346 -0.425 10 0 CBAERP O=C([C@H]1C[NH2+]CCOC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000649316677 419878947 /nfs/dbraw/zinc/87/89/47/419878947.db2.gz HSDHRCZSFUTFEJ-STQMWFEESA-N 2 0 267.373 -0.081 10 0 CBAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000649318382 419880163 /nfs/dbraw/zinc/88/01/63/419880163.db2.gz FBBOAXSJOHZSEV-LLVKDONJSA-N 2 0 255.362 -0.177 10 0 CBAERP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000110649407 274234912 /nfs/dbraw/zinc/23/49/12/274234912.db2.gz MDNBWSFRKXVZQT-YPMHNXCESA-N 2 0 296.415 -0.231 10 0 CBAERP [NH3+]C[C@@H]1CC[C@@H](CNc2ccnn2C2C[NH2+]C2)O1 ZINC000725258170 545083356 /nfs/dbraw/zinc/08/33/56/545083356.db2.gz JHKBEVHQAPAKMF-QWRGUYRKSA-N 2 0 251.334 -0.054 10 0 CBAERP [NH3+][C@]1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258097 545083436 /nfs/dbraw/zinc/08/34/36/545083436.db2.gz GMKUPEFCLXVFQU-LLVKDONJSA-N 2 0 251.290 -0.916 10 0 CBAERP [NH3+]C[C@H]1CC[C@@H](CNc2ccnn2C2C[NH2+]C2)O1 ZINC000725258169 545083474 /nfs/dbraw/zinc/08/34/74/545083474.db2.gz JHKBEVHQAPAKMF-MNOVXSKESA-N 2 0 251.334 -0.054 10 0 CBAERP C[C@]1(CNc2ccnn2C2C[NH2+]C2)COC[C@@H]1[NH3+] ZINC000725258717 545083508 /nfs/dbraw/zinc/08/35/08/545083508.db2.gz XXWZPTWJAZJORP-JQWIXIFHSA-N 2 0 251.334 -0.197 10 0 CBAERP C[NH2+][C@]1(CNc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258273 545083572 /nfs/dbraw/zinc/08/35/72/545083572.db2.gz MNLGZOVVWGXDMX-LBPRGKRZSA-N 2 0 251.334 -0.182 10 0 CBAERP C[C@@]1(CNc2ccnn2C2C[NH2+]C2)COC[C@@H]1[NH3+] ZINC000725258716 545083603 /nfs/dbraw/zinc/08/36/03/545083603.db2.gz XXWZPTWJAZJORP-CMPLNLGQSA-N 2 0 251.334 -0.197 10 0 CBAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)C[NH3+] ZINC000092629871 279297243 /nfs/dbraw/zinc/29/72/43/279297243.db2.gz JEWCMDKCUBZGHN-SNVBAGLBSA-N 2 0 256.350 -0.996 10 0 CBAERP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000236873728 279354789 /nfs/dbraw/zinc/35/47/89/279354789.db2.gz GXUUXVJPRAISMN-CYBMUJFWSA-N 2 0 268.405 -0.036 10 0 CBAERP CC[C@H]1CN(C(=O)CC[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000262336116 281131430 /nfs/dbraw/zinc/13/14/30/281131430.db2.gz HGRUBNLQNBOTKA-NEPJUHHUSA-N 2 0 257.378 -0.101 10 0 CBAERP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000226328186 295237830 /nfs/dbraw/zinc/23/78/30/295237830.db2.gz HRVCJUFFZOLCQJ-QWHCGFSZSA-N 2 0 296.415 -0.229 10 0 CBAERP C[NH+](C)CCN1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000061654942 521764981 /nfs/dbraw/zinc/76/49/81/521764981.db2.gz ODPPYIFDYDEWGZ-UONOGXRCSA-N 3 0 270.421 -0.328 10 0 CBAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)NCC[NH3+] ZINC000049551589 519775114 /nfs/dbraw/zinc/77/51/14/519775114.db2.gz HUGYYTPXRLEQNH-JTQLQIEISA-N 2 0 258.366 -0.846 10 0 CBAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CN1CCC[NH2+]CC1 ZINC000061274165 519814053 /nfs/dbraw/zinc/81/40/53/519814053.db2.gz IMIWIQHTMPJTJE-ZDUSSCGKSA-N 2 0 270.421 -0.016 10 0 CBAERP CC[NH2+]C[C@@H](C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645394 519934480 /nfs/dbraw/zinc/93/44/80/519934480.db2.gz WJJRQTOQUAZUCV-CYBMUJFWSA-N 2 0 270.421 -0.062 10 0 CBAERP CC[NH2+][C@@H](CCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000062449283 520088189 /nfs/dbraw/zinc/08/81/89/520088189.db2.gz HBUWWWQDSHHGPW-LBPRGKRZSA-N 2 0 256.394 -0.134 10 0 CBAERP C[NH+](C)CCN1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000061645331 521760130 /nfs/dbraw/zinc/76/01/30/521760130.db2.gz CDCADKKJVXFIPO-AWEZNQCLSA-N 2 0 268.405 -0.180 10 0 CBAERP CN(CCC[NH3+])S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644256 521872326 /nfs/dbraw/zinc/87/23/26/521872326.db2.gz PYWVNCNGTRKYKZ-LLVKDONJSA-N 2 0 278.422 -0.462 10 0 CBAERP CC[C@@H](C)[NH+]1CCN(CC[C@@](C)([NH3+])C(N)=O)CC1 ZINC000055070952 522121437 /nfs/dbraw/zinc/12/14/37/522121437.db2.gz WOCHVHZCDQGSMU-DGCLKSJQSA-N 2 0 256.394 -0.005 10 0 CBAERP CC[C@H](C[NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061644107 522171554 /nfs/dbraw/zinc/17/15/54/522171554.db2.gz UPJGYDLVYYNVDJ-GFCCVEGCSA-N 2 0 256.394 -0.323 10 0 CBAERP C[N@H+](CC(=O)N1CCCC1)CC1(O)CC[NH2+]CC1 ZINC000051016069 522432300 /nfs/dbraw/zinc/43/23/00/522432300.db2.gz QFABZBITBMSQRQ-UHFFFAOYSA-N 2 0 255.362 -0.345 10 0 CBAERP C[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631373 523968086 /nfs/dbraw/zinc/96/80/86/523968086.db2.gz UICQDJOXYBGSMT-MNOVXSKESA-N 2 0 261.391 -0.248 10 0 CBAERP C[NH+](C)CC1CCN([C@H]2CS(=O)(=O)C[C@@H]2[NH3+])CC1 ZINC000054493297 524050515 /nfs/dbraw/zinc/05/05/15/524050515.db2.gz GITQCTYXXZHPJM-RYUDHWBXSA-N 2 0 275.418 -0.616 10 0 CBAERP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)c(=O)n(C)c1=O ZINC000051693043 527215192 /nfs/dbraw/zinc/21/51/92/527215192.db2.gz DWFQGOMGJBBCCX-UHFFFAOYSA-N 2 0 266.345 -0.557 10 0 CBAERP [NH3+]Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710085 527256979 /nfs/dbraw/zinc/25/69/79/527256979.db2.gz KPHVEIZZRRQOMC-QWHCGFSZSA-N 2 0 266.341 -0.048 10 0 CBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136209825 582125779 /nfs/dbraw/zinc/12/57/79/582125779.db2.gz MJSYIDZDFVPTFA-OCCSQVGLSA-N 2 0 268.405 -0.119 10 0 CBAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702433097 656181201 /nfs/dbraw/zinc/18/12/01/656181201.db2.gz ZYTXMCFEOWAWCZ-RYUDHWBXSA-N 2 0 258.410 -0.032 10 0 CBAERP [NH3+]CC1(C(=O)NCC[NH+]2CCCC2)CCOCC1 ZINC000054129025 656027219 /nfs/dbraw/zinc/02/72/19/656027219.db2.gz QTMSXZAXFWLDES-UHFFFAOYSA-N 2 0 255.362 -0.046 10 0 CBAERP C[NH+](C)[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111236370 656065417 /nfs/dbraw/zinc/06/54/17/656065417.db2.gz ADKGMSQEAOSFAD-GFCCVEGCSA-N 2 0 275.418 -0.048 10 0 CBAERP C[NH+](C)[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111236372 656065551 /nfs/dbraw/zinc/06/55/51/656065551.db2.gz ADKGMSQEAOSFAD-LBPRGKRZSA-N 2 0 275.418 -0.048 10 0 CBAERP O=S(=O)(N1CCNCC1)N1CCN2CCCC[C@@H]2C1 ZINC000226836883 656107765 /nfs/dbraw/zinc/10/77/65/656107765.db2.gz UZICFBHEAUYODL-GFCCVEGCSA-N 2 0 288.417 -0.694 10 0 CBAERP C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261865592 656127291 /nfs/dbraw/zinc/12/72/91/656127291.db2.gz SNTXJQWRXNJCSP-AAEUAGOBSA-N 2 0 285.388 -0.423 10 0 CBAERP [NH3+][C@H](C(=O)NCC[NH+]1CCCC1)C1CCOCC1 ZINC000261963728 656127771 /nfs/dbraw/zinc/12/77/71/656127771.db2.gz LDRHXKOKIOREOG-LBPRGKRZSA-N 2 0 255.362 -0.048 10 0 CBAERP c1ncn(C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n1 ZINC000262194029 656129066 /nfs/dbraw/zinc/12/90/66/656129066.db2.gz JWIBCGNMUUAWCS-ZDUSSCGKSA-N 2 0 265.361 -0.022 10 0 CBAERP CO[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@](C)(C[NH3+])C1 ZINC000708976818 656195210 /nfs/dbraw/zinc/19/52/10/656195210.db2.gz HJZVSHUKLSVLLM-IHRRRGAJSA-N 2 0 271.405 -0.119 10 0 CBAERP CO[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000708976817 656195518 /nfs/dbraw/zinc/19/55/18/656195518.db2.gz HJZVSHUKLSVLLM-HZSPNIEDSA-N 2 0 271.405 -0.119 10 0 CBAERP C[C@@H](C[NH3+])N1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000104061227 185888852 /nfs/dbraw/zinc/88/88/52/185888852.db2.gz BVDDOBKYFFKJDV-LBPRGKRZSA-N 2 0 256.394 -0.180 10 0 CBAERP CCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808850 351419074 /nfs/dbraw/zinc/41/90/74/351419074.db2.gz BTFTWJRKBXFJJU-GFCCVEGCSA-N 2 0 256.394 -0.133 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000049230854 351488976 /nfs/dbraw/zinc/48/89/76/351488976.db2.gz SEJKJOLEIPQPOK-GFCCVEGCSA-N 2 0 282.388 -0.591 10 0 CBAERP C[N@H+](CCNC(=O)C1(C[NH3+])CCOCC1)C1CC1 ZINC000061995829 351573364 /nfs/dbraw/zinc/57/33/64/351573364.db2.gz 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352402006 /nfs/dbraw/zinc/40/20/06/352402006.db2.gz ANCKAFUNYNEIIR-LLVKDONJSA-N 2 0 257.378 -0.114 10 0 CBAERP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262008584 352403292 /nfs/dbraw/zinc/40/32/92/352403292.db2.gz VHCSIIUVRSJAOW-KXNHARMFSA-N 2 0 255.362 -0.003 10 0 CBAERP NC(=O)[C@]1(O)CCC[N@H+](CCCn2ccnc2)C1 ZINC000311075677 352765121 /nfs/dbraw/zinc/76/51/21/352765121.db2.gz ALFCZSFFMTYOAV-LBPRGKRZSA-N 2 0 252.318 -0.415 10 0 CBAERP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[NH+](C)C1 ZINC000311253970 352767486 /nfs/dbraw/zinc/76/74/86/352767486.db2.gz GKTFAOWCDLUJCV-ZIAGYGMSSA-N 2 0 271.405 -0.437 10 0 CBAERP CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311889777 352771237 /nfs/dbraw/zinc/77/12/37/352771237.db2.gz DAILJWCKNLIRPB-NWDGAFQWSA-N 2 0 291.417 -0.622 10 0 CBAERP C[C@H]1COC[C@H](C)[NH+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262254429 290980966 /nfs/dbraw/zinc/98/09/66/290980966.db2.gz XBHIBFIXTSOQBW-RYUDHWBXSA-N 2 0 255.362 -0.083 10 0 CBAERP CC(C)(C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH2+]CC1 ZINC000567732068 354795290 /nfs/dbraw/zinc/79/52/90/354795290.db2.gz NXTYOIBHPFNQFU-UHFFFAOYSA-N 2 0 280.416 -0.023 10 0 CBAERP CN(C)C[C@@H](O)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000572763003 354897140 /nfs/dbraw/zinc/89/71/40/354897140.db2.gz MZSCZIULIDYMAY-RYUDHWBXSA-N 2 0 272.345 -0.331 10 0 CBAERP CC[NH+](CC)CCN1CCN(CCNC(N)=[NH2+])CC1 ZINC000584604986 355033518 /nfs/dbraw/zinc/03/35/18/355033518.db2.gz VJJABLXFQWGZBN-UHFFFAOYSA-N 2 0 270.425 -0.571 10 0 CBAERP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1C[NH3+] ZINC000616636152 356103557 /nfs/dbraw/zinc/10/35/57/356103557.db2.gz LCQIDGZEQIMYII-JTQLQIEISA-N 2 0 258.366 -0.256 10 0 CBAERP O=C(NC[C@H]1C[NH2+]C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000638233843 357441716 /nfs/dbraw/zinc/44/17/16/357441716.db2.gz WLUNIQWAVUUHFR-VXGBXAGGSA-N 2 0 267.373 -0.441 10 0 CBAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000638276661 357448104 /nfs/dbraw/zinc/44/81/04/357448104.db2.gz 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261.391 -0.167 10 0 CBAERP C[NH2+][C@@H]1COC[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258448 545083558 /nfs/dbraw/zinc/08/35/58/545083558.db2.gz PRZVOQMJGHLAKD-GXSJLCMTSA-N 2 0 251.334 -0.326 10 0 CBAERP [NH3+]CCCS(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260653 545083783 /nfs/dbraw/zinc/08/37/83/545083783.db2.gz XGMOYOYPWGXASL-UHFFFAOYSA-N 2 0 259.335 -0.882 10 0 CBAERP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261874214 277048592 /nfs/dbraw/zinc/04/85/92/277048592.db2.gz TYPGITQNIQNWAO-LBPRGKRZSA-N 2 0 255.362 -0.096 10 0 CBAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)C[NH3+] ZINC000037626665 277477846 /nfs/dbraw/zinc/47/78/46/277477846.db2.gz RZPLWRUDHNOVCL-SNVBAGLBSA-N 2 0 258.366 -0.846 10 0 CBAERP CC[C@H]1CN(C(=O)CC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000262336122 288257438 /nfs/dbraw/zinc/25/74/38/288257438.db2.gz HGRUBNLQNBOTKA-RYUDHWBXSA-N 2 0 257.378 -0.101 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000394029278 329094960 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524316358 /nfs/dbraw/zinc/31/63/58/524316358.db2.gz ADUIIPPQAGXRMN-LLVKDONJSA-N 2 0 278.422 -0.414 10 0 CBAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000049500572 524329258 /nfs/dbraw/zinc/32/92/58/524329258.db2.gz VHEJCIOAGBPQTE-SNVBAGLBSA-N 2 0 256.350 -0.948 10 0 CBAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049558237 524476300 /nfs/dbraw/zinc/47/63/00/524476300.db2.gz MSXOXCLAWWCBGP-JTQLQIEISA-N 2 0 266.411 -0.558 10 0 CBAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[NH2+][C@H](C)CN1 ZINC000062814928 524590373 /nfs/dbraw/zinc/59/03/73/524590373.db2.gz CJAIQXRHGMMDHJ-GRYCIOLGSA-N 2 0 254.378 -0.463 10 0 CBAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[NH3+] ZINC000049500570 524601368 /nfs/dbraw/zinc/60/13/68/524601368.db2.gz VHEJCIOAGBPQTE-JTQLQIEISA-N 2 0 256.350 -0.948 10 0 CBAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000063179632 656033918 /nfs/dbraw/zinc/03/39/18/656033918.db2.gz JKGURXVAHZVUSI-NEPJUHHUSA-N 2 0 255.362 -0.048 10 0 CBAERP 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CCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808848 351419343 /nfs/dbraw/zinc/41/93/43/351419343.db2.gz BTFTWJRKBXFJJU-LBPRGKRZSA-N 2 0 256.394 -0.133 10 0 CBAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115373 351574641 /nfs/dbraw/zinc/57/46/41/351574641.db2.gz MKIPVDIAMGHUII-LBPRGKRZSA-N 2 0 255.362 -0.223 10 0 CBAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000126327815 351860935 /nfs/dbraw/zinc/86/09/35/351860935.db2.gz JSCGAUSILICBEM-JQWIXIFHSA-N 2 0 270.377 -0.752 10 0 CBAERP CN1CCO[C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129907965 351876073 /nfs/dbraw/zinc/87/60/73/351876073.db2.gz WVQYNWDHHNDEPK-CHWSQXEVSA-N 2 0 284.404 -0.090 10 0 CBAERP C[NH+](C)CCOCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000234258773 352282152 /nfs/dbraw/zinc/28/21/52/352282152.db2.gz CRKWVXVLIXDWQS-UHFFFAOYSA-N 2 0 286.420 -0.635 10 0 CBAERP C[C@H](O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000235544570 352287769 /nfs/dbraw/zinc/28/77/69/352287769.db2.gz SDLMTPPSEFEIAZ-LBPRGKRZSA-N 2 0 269.389 -0.099 10 0 CBAERP C[NH2+]CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246742445 352337717 /nfs/dbraw/zinc/33/77/17/352337717.db2.gz ZDRHPONNSYQYCD-NEPJUHHUSA-N 2 0 257.378 -0.101 10 0 CBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000250307284 352372218 /nfs/dbraw/zinc/37/22/18/352372218.db2.gz LJGXLBSNMDPSIP-QJPTWQEYSA-N 2 0 255.362 -0.036 10 0 CBAERP C[C@@H](O)CN1CCN(C(=O)C2([NH3+])CCOCC2)C[C@@H]1C ZINC000261908189 352400040 /nfs/dbraw/zinc/40/00/40/352400040.db2.gz SPLCHHUZQTXNMW-NWDGAFQWSA-N 2 0 285.388 -0.592 10 0 CBAERP CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000261679336 352393270 /nfs/dbraw/zinc/39/32/70/352393270.db2.gz GPSMKDRDFFWIDW-DCAQKATOSA-N 2 0 280.372 -0.014 10 0 CBAERP C[C@@H](CN1CCOCC1)NC(=O)[C@H]1NCCO[C@@H]1C ZINC000262287825 352413967 /nfs/dbraw/zinc/41/39/67/352413967.db2.gz OMAVAGKYCHPDQO-TUAOUCFPSA-N 2 0 271.361 -0.800 10 0 CBAERP COCCN1CCN(C(=O)C[C@@H](C[NH3+])OC)C[C@@H]1C 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KFOPCSDVKNTYCC-KBPBESRZSA-N 2 0 273.421 -0.050 10 0 CBAERP COCC[NH+]1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675055964 544923546 /nfs/dbraw/zinc/92/35/46/544923546.db2.gz FLFWGPIOGUTOIX-UHFFFAOYSA-N 2 0 267.377 -0.357 10 0 CBAERP C[C@H]1OCC[NH2+][C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258688 545083479 /nfs/dbraw/zinc/08/34/79/545083479.db2.gz XIFYFOCLGUHDGA-KOLCDFICSA-N 2 0 251.334 -0.184 10 0 CBAERP CO[C@H](CC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258085 545083491 /nfs/dbraw/zinc/08/34/91/545083491.db2.gz FYGWOPVKLRVOQU-SECBINFHSA-N 2 0 253.306 -0.670 10 0 CBAERP [NH3+][C@@H]1CCO[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259477 545083495 /nfs/dbraw/zinc/08/34/95/545083495.db2.gz CARBKOSYBUAJCK-PSASIEDQSA-N 2 0 251.290 -0.918 10 0 CBAERP [NH3+][C@H](CC(F)F)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257964 545083536 /nfs/dbraw/zinc/08/35/36/545083536.db2.gz BHNLUHWOBSOXLY-SSDOTTSWSA-N 2 0 259.260 -0.052 10 0 CBAERP [NH3+][C@H]1CCO[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259480 545083559 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C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000261917852 289351685 /nfs/dbraw/zinc/35/16/85/289351685.db2.gz UQJRRDFBCILDSX-LLVKDONJSA-N 2 0 255.362 -0.049 10 0 CBAERP C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261767542 299923812 /nfs/dbraw/zinc/92/38/12/299923812.db2.gz KELSWOPXXJGXAY-WDEREUQCSA-N 2 0 255.362 -0.049 10 0 CBAERP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000394029280 329094936 /nfs/dbraw/zinc/09/49/36/329094936.db2.gz DQGSVKXTXFUOOX-UONOGXRCSA-N 2 0 273.421 -0.191 10 0 CBAERP CC(C)[C@@H]([NH3+])C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645297 519796192 /nfs/dbraw/zinc/79/61/92/519796192.db2.gz LWNFNWCQHGQTCI-GFCCVEGCSA-N 2 0 256.394 -0.325 10 0 CBAERP CCOCC[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655374 519966174 /nfs/dbraw/zinc/96/61/74/519966174.db2.gz IQDQGBWNFXQBIF-UHFFFAOYSA-N 2 0 272.437 -0.208 10 0 CBAERP CN1CCC([N@H+](C)CCn2cc(C[NH3+])nn2)CC1 ZINC000052419863 522999037 /nfs/dbraw/zinc/99/90/37/522999037.db2.gz PDGUUTCIUOORHT-UHFFFAOYSA-N 2 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CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262169826 656129274 /nfs/dbraw/zinc/12/92/74/656129274.db2.gz QHWDCARSWDGMRL-CYBMUJFWSA-N 2 0 282.388 -0.591 10 0 CBAERP CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000262429291 656132383 /nfs/dbraw/zinc/13/23/83/656132383.db2.gz STIMFBXWSGSENA-IJLUTSLNSA-N 2 0 257.378 -0.115 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708940204 656195236 /nfs/dbraw/zinc/19/52/36/656195236.db2.gz WXGDTOBNBLFFLF-BFHYXJOUSA-N 2 0 289.420 -0.636 10 0 CBAERP COC[C@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)C[NH2+]CCO1 ZINC000710755201 656200898 /nfs/dbraw/zinc/20/08/98/656200898.db2.gz MNTWVBWTNNOTQK-YPMHNXCESA-N 2 0 271.361 -0.846 10 0 CBAERP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000127814252 187334454 /nfs/dbraw/zinc/33/44/54/187334454.db2.gz GTYNOKZBGGBEPW-NSHDSACASA-N 2 0 253.346 -0.199 10 0 CBAERP CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000126230498 187225578 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COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000227034610 352254849 /nfs/dbraw/zinc/25/48/49/352254849.db2.gz RUQDFCWIFZUXDX-GHMZBOCLSA-N 2 0 259.350 -0.942 10 0 CBAERP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCC[NH2+]CC1 ZINC000231670692 352277433 /nfs/dbraw/zinc/27/74/33/352277433.db2.gz GCJNZYPPGVJAMR-JTQLQIEISA-N 2 0 254.334 -0.388 10 0 CBAERP C[C@@H](O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000235290733 352286570 /nfs/dbraw/zinc/28/65/70/352286570.db2.gz SDLMTPPSEFEIAZ-GFCCVEGCSA-N 2 0 269.389 -0.099 10 0 CBAERP CCC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000236993113 352297136 /nfs/dbraw/zinc/29/71/36/352297136.db2.gz LMZVXVSXPHDKIY-VXGBXAGGSA-N 2 0 256.394 -0.134 10 0 CBAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000250218596 352372084 /nfs/dbraw/zinc/37/20/84/352372084.db2.gz DMKJWVPMZKCEAI-IJLUTSLNSA-N 2 0 255.362 -0.179 10 0 CBAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250355583 352372471 /nfs/dbraw/zinc/37/24/71/352372471.db2.gz SCQUEMQVDDONFD-RYUDHWBXSA-N 2 0 255.362 -0.035 10 0 CBAERP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000261917853 352400921 /nfs/dbraw/zinc/40/09/21/352400921.db2.gz UQJRRDFBCILDSX-NSHDSACASA-N 2 0 255.362 -0.049 10 0 CBAERP Cn1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000261769762 352396297 /nfs/dbraw/zinc/39/62/97/352396297.db2.gz OQRXFAHSNRFDSV-DLOVCJGASA-N 2 0 278.356 -0.747 10 0 CBAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262277663 352413361 /nfs/dbraw/zinc/41/33/61/352413361.db2.gz NPCJBSIDLDOTIZ-UTUOFQBUSA-N 2 0 255.362 -0.179 10 0 CBAERP COC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000262360641 352418223 /nfs/dbraw/zinc/41/82/23/352418223.db2.gz VNDFHWDIUDAYIB-LBPRGKRZSA-N 2 0 287.404 -0.034 10 0 CBAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263221650 352439795 /nfs/dbraw/zinc/43/97/95/352439795.db2.gz LXTCKAWVSLTIOE-MFKMUULPSA-N 2 0 289.335 -0.548 10 0 CBAERP COC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262162288 352408003 /nfs/dbraw/zinc/40/80/03/352408003.db2.gz ABYHJHGSINEKJF-NEPJUHHUSA-N 2 0 271.361 -0.859 10 0 CBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000311693101 352769862 /nfs/dbraw/zinc/76/98/62/352769862.db2.gz KQNKCPOMLFPNNT-IHRRRGAJSA-N 2 0 273.421 -0.193 10 0 CBAERP O=C(CN1CCNCC1=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328656533 352786465 /nfs/dbraw/zinc/78/64/65/352786465.db2.gz ZKNFSKGUBMSXJQ-NSHDSACASA-N 2 0 280.372 -0.839 10 0 CBAERP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749243 137698218 /nfs/dbraw/zinc/69/82/18/137698218.db2.gz CBYSGLMJILUOIL-VXGBXAGGSA-N 2 0 275.418 -0.014 10 0 CBAERP COC[C@@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC[NH2+]C1 ZINC000385671005 353787579 /nfs/dbraw/zinc/78/75/79/353787579.db2.gz DUMGPLQSBOBQPJ-WCQYABFASA-N 2 0 255.362 -0.225 10 0 CBAERP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000563231542 354703873 /nfs/dbraw/zinc/70/38/73/354703873.db2.gz KNDFNYPKUSLGBV-TUAOUCFPSA-N 2 0 275.418 -0.002 10 0 CBAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC000579953096 354983759 /nfs/dbraw/zinc/98/37/59/354983759.db2.gz FMURPXXHCWWYDE-TUAOUCFPSA-N 2 0 255.362 -0.179 10 0 CBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]12 ZINC000261572520 372906638 /nfs/dbraw/zinc/90/66/38/372906638.db2.gz LRAYWRCTMJYULE-GMTAPVOTSA-N 2 0 251.330 -0.196 10 0 CBAERP CN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CC[NH+](C)CC1 ZINC000643768110 374407694 /nfs/dbraw/zinc/40/76/94/374407694.db2.gz SOBOCBNTNSCQLC-LLVKDONJSA-N 2 0 255.362 -0.225 10 0 CBAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643777247 374412013 /nfs/dbraw/zinc/41/20/13/374412013.db2.gz BZHVZAWCLLYVJP-NWDGAFQWSA-N 2 0 255.362 -0.225 10 0 CBAERP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000250422688 189966077 /nfs/dbraw/zinc/96/60/77/189966077.db2.gz ZRRMCZBIYWIJON-RWMBFGLXSA-N 2 0 268.405 -0.134 10 0 CBAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000262255445 190051801 /nfs/dbraw/zinc/05/18/01/190051801.db2.gz LUNJTKNPWNYFNW-MCIONIFRSA-N 2 0 291.399 -0.067 10 0 CBAERP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247720 171101187 /nfs/dbraw/zinc/10/11/87/171101187.db2.gz BWVDEGIOFWCLCI-NSHDSACASA-N 2 0 276.406 -0.790 10 0 CBAERP C[NH+](C)CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022220838 171377870 /nfs/dbraw/zinc/37/78/70/171377870.db2.gz RNLJWKQMFTVSGF-UHFFFAOYSA-N 2 0 257.359 -0.015 10 0 CBAERP C[C@@H](CN1CCC[N@H+](CCCC[NH3+])CC1)C(N)=O ZINC000037227025 173047020 /nfs/dbraw/zinc/04/70/20/173047020.db2.gz WSWDNGLYPGGTQG-LBPRGKRZSA-N 2 0 256.394 -0.146 10 0 CBAERP COC(=O)C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031367 174026473 /nfs/dbraw/zinc/02/64/73/174026473.db2.gz YXYSGJHUURNNPW-SNVBAGLBSA-N 2 0 257.334 -0.698 10 0 CBAERP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101748 174117906 /nfs/dbraw/zinc/11/79/06/174117906.db2.gz UHVBOCKCZQKKAJ-STQMWFEESA-N 2 0 267.373 -0.204 10 0 CBAERP C[C@@H]1CN[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[NH2+]1 ZINC000071190537 176067116 /nfs/dbraw/zinc/06/71/16/176067116.db2.gz AOGQQLZRFZVQDN-IJLUTSLNSA-N 2 0 254.378 -0.654 10 0 CBAERP CN([C@H](CC[NH3+])C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000076678823 177057051 /nfs/dbraw/zinc/05/70/51/177057051.db2.gz LOHNKVAYFZRRSW-GHMZBOCLSA-N 2 0 263.407 -0.616 10 0 CBAERP CC[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+](CC)CC ZINC000262362262 287494418 /nfs/dbraw/zinc/49/44/18/287494418.db2.gz VHPFXYXRTARTLA-QJPTWQEYSA-N 2 0 257.378 -0.197 10 0 CBAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700136 544436119 /nfs/dbraw/zinc/43/61/19/544436119.db2.gz GVBKKFHUNTYHLP-SNVBAGLBSA-N 2 0 266.349 -0.549 10 0 CBAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000251886684 544514927 /nfs/dbraw/zinc/51/49/27/544514927.db2.gz VFINDTHJECZJJH-MNOVXSKESA-N 2 0 278.360 -0.455 10 0 CBAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000662260031 419566346 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O=C([C@@H]1C[NH2+]CCOC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000649311537 419874719 /nfs/dbraw/zinc/87/47/19/419874719.db2.gz YHEHVYOSCYSNKW-OLZOCXBDSA-N 2 0 267.373 -0.081 10 0 CBAERP CC[N@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000649318383 419877064 /nfs/dbraw/zinc/87/70/64/419877064.db2.gz FBBOAXSJOHZSEV-NSHDSACASA-N 2 0 255.362 -0.177 10 0 CBAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649318561 419878029 /nfs/dbraw/zinc/87/80/29/419878029.db2.gz WFYCOUGOHDPOGQ-NEPJUHHUSA-N 2 0 255.362 -0.225 10 0 CBAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649335140 419896786 /nfs/dbraw/zinc/89/67/86/419896786.db2.gz HFKNXWUNWFHBNZ-JHJVBQTASA-N 2 0 267.373 -0.083 10 0 CBAERP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000649352667 419904444 /nfs/dbraw/zinc/90/44/44/419904444.db2.gz CNYAHPXVRWIXKS-TZMCWYRMSA-N 2 0 284.404 -0.883 10 0 CBAERP O=S(=O)(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000725258548 545083327 /nfs/dbraw/zinc/08/33/27/545083327.db2.gz 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