smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C(=O)NCc2cn3c(n2)C[NH2+]CC3)cn1 ZINC000096092538 185095400 /nfs/dbraw/zinc/09/54/00/185095400.db2.gz UZPKRFYIXQKPMI-UHFFFAOYSA-N 1 1 260.301 -0.350 10 0 CBAEMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173850215 290688575 /nfs/dbraw/zinc/68/85/75/290688575.db2.gz VZPFBJYHAUNMOP-QWRGUYRKSA-N 1 1 284.360 -0.776 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCN(Cc2ccncc2)CC1 ZINC000088370407 179584812 /nfs/dbraw/zinc/58/48/12/179584812.db2.gz BPKFEQBWQHJGJW-CQSZACIVSA-N 1 1 290.367 -0.286 10 0 CBAEMO CN1CCO[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000105279279 186049920 /nfs/dbraw/zinc/04/99/20/186049920.db2.gz ZWVXNEBIVWGXHB-CYBMUJFWSA-N 1 1 282.388 -0.193 10 0 CBAEMO O=C1N(CCO)CCC[C@]12CC[N@@H+](Cc1c[nH]nn1)C2 ZINC000091678056 180225507 /nfs/dbraw/zinc/22/55/07/180225507.db2.gz WLVXZBFNPOQUNY-CYBMUJFWSA-N 1 1 279.344 -0.389 10 0 CBAEMO COCC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817994 186073384 /nfs/dbraw/zinc/07/33/84/186073384.db2.gz XNMQALUEDINZFH-AWEZNQCLSA-N 1 1 299.415 -0.114 10 0 CBAEMO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000107304750 186169625 /nfs/dbraw/zinc/16/96/25/186169625.db2.gz ITVWBOHWSNHAQM-LLVKDONJSA-N 1 1 287.389 -0.461 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCNCC2)C1 ZINC000049230848 351488363 /nfs/dbraw/zinc/48/83/63/351488363.db2.gz OLSPBTVUNVALFF-LLVKDONJSA-N 1 1 268.361 -0.981 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCNCC2)C1 ZINC000049230848 351488366 /nfs/dbraw/zinc/48/83/66/351488366.db2.gz OLSPBTVUNVALFF-LLVKDONJSA-N 1 1 268.361 -0.981 10 0 CBAEMO CCn1cncc1[C@H]1N[C@](CO)(CCO)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065384038 351589366 /nfs/dbraw/zinc/58/93/66/351589366.db2.gz SOYSLOARPGSWCT-DHMWGJHJSA-N 1 1 294.399 -0.161 10 0 CBAEMO CCn1cncc1[C@H]1[NH2+][C@](CO)(CCO)[C@H]2CN(C)C[C@H]21 ZINC000065384038 351589370 /nfs/dbraw/zinc/58/93/70/351589370.db2.gz SOYSLOARPGSWCT-DHMWGJHJSA-N 1 1 294.399 -0.161 10 0 CBAEMO C[NH+]1CCN(c2ncc3c(n2)C=CNNC3=O)CC1 ZINC000072416972 351647080 /nfs/dbraw/zinc/64/70/80/351647080.db2.gz HZFCFLHKVNBCIX-UHFFFAOYSA-N 1 1 260.301 -0.553 10 0 CBAEMO CCOC(=O)C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088357882 351724212 /nfs/dbraw/zinc/72/42/12/351724212.db2.gz HHZKMHLFUBRAKD-LLVKDONJSA-N 1 1 270.329 -0.224 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nncn2C)C[C@@H]1C ZINC000105824707 351791773 /nfs/dbraw/zinc/79/17/73/351791773.db2.gz DUYKFZZUCCZLOA-WDEREUQCSA-N 1 1 253.350 -0.298 10 0 CBAEMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000111684031 351805065 /nfs/dbraw/zinc/80/50/65/351805065.db2.gz ZLQVZEHOPIHRJH-MNOVXSKESA-N 1 1 272.345 -0.289 10 0 CBAEMO COC(=O)CCNC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321361 351821288 /nfs/dbraw/zinc/82/12/88/351821288.db2.gz PIMNSRHBHOHDPF-NSHDSACASA-N 1 1 294.355 -0.111 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116320282 351821893 /nfs/dbraw/zinc/82/18/93/351821893.db2.gz AFDDAKONDZZGNP-SECBINFHSA-N 1 1 265.317 -0.335 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116320282 351821894 /nfs/dbraw/zinc/82/18/94/351821894.db2.gz AFDDAKONDZZGNP-SECBINFHSA-N 1 1 265.317 -0.335 10 0 CBAEMO COC(=O)CNC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408268 351822633 /nfs/dbraw/zinc/82/26/33/351822633.db2.gz LCAJAIKTLCKYIP-JTQLQIEISA-N 1 1 280.328 -0.501 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408268 351822634 /nfs/dbraw/zinc/82/26/34/351822634.db2.gz LCAJAIKTLCKYIP-JTQLQIEISA-N 1 1 280.328 -0.501 10 0 CBAEMO CC[C@H]1CN(C(=O)CCNC(N)=O)CC[N@H+]1CCOC ZINC000117426133 351826248 /nfs/dbraw/zinc/82/62/48/351826248.db2.gz PVTBYRRJOIWYQM-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@@H]1C ZINC000117471284 351826350 /nfs/dbraw/zinc/82/63/50/351826350.db2.gz MULMTFAZDYKNKB-NSHDSACASA-N 1 1 286.376 -0.563 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@@H]1C ZINC000117471284 351826352 /nfs/dbraw/zinc/82/63/52/351826352.db2.gz MULMTFAZDYKNKB-NSHDSACASA-N 1 1 286.376 -0.563 10 0 CBAEMO C[NH+]1CCN(c2nc3cnccc3c(CC(N)=O)n2)CC1 ZINC000117733911 351826419 /nfs/dbraw/zinc/82/64/19/351826419.db2.gz METAJFUORZBOMU-UHFFFAOYSA-N 1 1 286.339 -0.196 10 0 CBAEMO COCCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117467540 351826901 /nfs/dbraw/zinc/82/69/01/351826901.db2.gz DEXHEHRSQUOQLS-LLVKDONJSA-N 1 1 259.350 -0.005 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117467540 351826904 /nfs/dbraw/zinc/82/69/04/351826904.db2.gz DEXHEHRSQUOQLS-LLVKDONJSA-N 1 1 259.350 -0.005 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000122190673 187020350 /nfs/dbraw/zinc/02/03/50/187020350.db2.gz XJRFBRHLMIKOOZ-SNVBAGLBSA-N 1 1 279.344 -0.041 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnnn1 ZINC000113226554 351813031 /nfs/dbraw/zinc/81/30/31/351813031.db2.gz XWGHROMKYWPJPA-NXEZZACHSA-N 1 1 250.306 -0.632 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCc2ncn(C)n2)C[C@@H]1C ZINC000130443643 351879465 /nfs/dbraw/zinc/87/94/65/351879465.db2.gz PFOFUGZNJSGYMF-NSHDSACASA-N 1 1 296.375 -0.323 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCc2ncn(C)n2)C[C@@H]1C ZINC000130443643 351879469 /nfs/dbraw/zinc/87/94/69/351879469.db2.gz PFOFUGZNJSGYMF-NSHDSACASA-N 1 1 296.375 -0.323 10 0 CBAEMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128062509 351865503 /nfs/dbraw/zinc/86/55/03/351865503.db2.gz XLDUTZIGVTYERX-LBPRGKRZSA-N 1 1 273.377 -0.864 10 0 CBAEMO CC[N@@H+](CC(=O)NC[C@H]1CN(C)CCO1)C1CC1 ZINC000151850924 351936568 /nfs/dbraw/zinc/93/65/68/351936568.db2.gz GOPDJBJYUCKXPD-LBPRGKRZSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNc2ccc3nnnn3n2)C1 ZINC000134431242 351906489 /nfs/dbraw/zinc/90/64/89/351906489.db2.gz OHSVTQWWBAFGKE-SECBINFHSA-N 1 1 263.305 -0.348 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNc2ccc3nnnn3n2)C1 ZINC000134431242 351906491 /nfs/dbraw/zinc/90/64/91/351906491.db2.gz OHSVTQWWBAFGKE-SECBINFHSA-N 1 1 263.305 -0.348 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000159557629 351965068 /nfs/dbraw/zinc/96/50/68/351965068.db2.gz QITQKVFLDTZQRA-ZJUUUORDSA-N 1 1 255.318 -0.817 10 0 CBAEMO NC(=O)NC(=O)CCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000171638538 352014654 /nfs/dbraw/zinc/01/46/54/352014654.db2.gz COHGEXKHIVDFQF-JTQLQIEISA-N 1 1 254.334 -0.259 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171620459 352013174 /nfs/dbraw/zinc/01/31/74/352013174.db2.gz ITNKQCASQCCXFB-JTQLQIEISA-N 1 1 280.332 -0.110 10 0 CBAEMO CN1CC(=O)N(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000171585050 352013209 /nfs/dbraw/zinc/01/32/09/352013209.db2.gz POARFVZNSINRPT-JTQLQIEISA-N 1 1 280.328 -0.813 10 0 CBAEMO O=C(Cc1nc2ncccn2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171586529 352013238 /nfs/dbraw/zinc/01/32/38/352013238.db2.gz CDJCVJNLNYINET-NSHDSACASA-N 1 1 286.339 -0.027 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000171603294 352013414 /nfs/dbraw/zinc/01/34/14/352013414.db2.gz OSRANKYKRJOAFU-NSHDSACASA-N 1 1 294.359 -0.035 10 0 CBAEMO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH+]1CCOCC1 ZINC000173838177 352041823 /nfs/dbraw/zinc/04/18/23/352041823.db2.gz QFUCUHXQMBSQPA-CHWSQXEVSA-N 1 1 293.371 -0.153 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943196 352043150 /nfs/dbraw/zinc/04/31/50/352043150.db2.gz PROAKXCBEOHMEN-CYBMUJFWSA-N 1 1 285.388 -0.454 10 0 CBAEMO COCCCNC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943196 352043152 /nfs/dbraw/zinc/04/31/52/352043152.db2.gz PROAKXCBEOHMEN-CYBMUJFWSA-N 1 1 285.388 -0.454 10 0 CBAEMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173946429 352043177 /nfs/dbraw/zinc/04/31/77/352043177.db2.gz OUAXACCZOAJUFE-KGLIPLIRSA-N 1 1 299.415 -0.066 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000175039333 352053150 /nfs/dbraw/zinc/05/31/50/352053150.db2.gz QNAOXHJIXVEGFG-QWHCGFSZSA-N 1 1 294.399 -0.497 10 0 CBAEMO Cc1cc(N2CCC[C@H](NC(=O)C[NH+](C)C)C2=O)n(C)n1 ZINC000175819546 352059236 /nfs/dbraw/zinc/05/92/36/352059236.db2.gz AYFJXBRHDJRXAU-NSHDSACASA-N 1 1 293.371 -0.098 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000176853763 352068815 /nfs/dbraw/zinc/06/88/15/352068815.db2.gz UYQYNQROKZQJPY-WDEREUQCSA-N 1 1 292.401 -0.544 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC000177019139 352069760 /nfs/dbraw/zinc/06/97/60/352069760.db2.gz GKFYVKWADKGCAO-NSHDSACASA-N 1 1 291.417 -0.180 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC000177019124 352070025 /nfs/dbraw/zinc/07/00/25/352070025.db2.gz GKFYVKWADKGCAO-LLVKDONJSA-N 1 1 291.417 -0.180 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000177242231 352071845 /nfs/dbraw/zinc/07/18/45/352071845.db2.gz LBWGYWYXNPOWMU-KBPBESRZSA-N 1 1 297.399 -0.502 10 0 CBAEMO COC(=O)CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171641461 352015033 /nfs/dbraw/zinc/01/50/33/352015033.db2.gz QIJWWHMEVOLFSV-SNVBAGLBSA-N 1 1 255.318 -0.944 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CCCS(N)(=O)=O)C2)cn1 ZINC000172050934 352020189 /nfs/dbraw/zinc/02/01/89/352020189.db2.gz SKJDOPNIKVGUQW-SNVBAGLBSA-N 1 1 272.374 -0.112 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000172459301 352026478 /nfs/dbraw/zinc/02/64/78/352026478.db2.gz UZEAQKFOXKUSMK-SNVBAGLBSA-N 1 1 265.379 -0.507 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000172459301 352026481 /nfs/dbraw/zinc/02/64/81/352026481.db2.gz UZEAQKFOXKUSMK-SNVBAGLBSA-N 1 1 265.379 -0.507 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000186124948 352123327 /nfs/dbraw/zinc/12/33/27/352123327.db2.gz FHAVLQAXSIYIKH-NXEZZACHSA-N 1 1 296.327 -0.473 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000186124948 352123330 /nfs/dbraw/zinc/12/33/30/352123330.db2.gz FHAVLQAXSIYIKH-NXEZZACHSA-N 1 1 296.327 -0.473 10 0 CBAEMO Cn1cnn(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1=O ZINC000179459184 352090535 /nfs/dbraw/zinc/09/05/35/352090535.db2.gz IJBJUXPEUKLGGM-LLVKDONJSA-N 1 1 279.344 -0.722 10 0 CBAEMO C[C@H](CS(C)(=O)=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182567538 352104941 /nfs/dbraw/zinc/10/49/41/352104941.db2.gz SIFKDIOIPDNUIK-NEPJUHHUSA-N 1 1 278.418 -0.144 10 0 CBAEMO COCC[NH+]1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183784800 352109855 /nfs/dbraw/zinc/10/98/55/352109855.db2.gz YAVCDCBVCOUFSK-UHFFFAOYSA-N 1 1 298.387 -0.514 10 0 CBAEMO CC(C)(C)OC(=O)NCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184002656 352111247 /nfs/dbraw/zinc/11/12/47/352111247.db2.gz RLILFDOUVOLFIN-NXEZZACHSA-N 1 1 260.334 -0.061 10 0 CBAEMO CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185157787 352116159 /nfs/dbraw/zinc/11/61/59/352116159.db2.gz XECZLFALUNIMRB-OLZOCXBDSA-N 1 1 288.388 -0.407 10 0 CBAEMO CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185157787 352116164 /nfs/dbraw/zinc/11/61/64/352116164.db2.gz XECZLFALUNIMRB-OLZOCXBDSA-N 1 1 288.388 -0.407 10 0 CBAEMO CNC(=O)c1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185175513 352116506 /nfs/dbraw/zinc/11/65/06/352116506.db2.gz HLSHDIJUCZFFNR-OLZOCXBDSA-N 1 1 264.325 -0.026 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000189278158 352165917 /nfs/dbraw/zinc/16/59/17/352165917.db2.gz CLXOKJIZEMVAOZ-SECBINFHSA-N 1 1 253.302 -0.654 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000189278158 352165918 /nfs/dbraw/zinc/16/59/18/352165918.db2.gz CLXOKJIZEMVAOZ-SECBINFHSA-N 1 1 253.302 -0.654 10 0 CBAEMO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nnnn1C1CC1 ZINC000190575786 352182678 /nfs/dbraw/zinc/18/26/78/352182678.db2.gz ROOFOOUFUGXCQN-ONGXEEELSA-N 1 1 266.349 -0.011 10 0 CBAEMO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nnnn1C1CC1 ZINC000190575766 352182715 /nfs/dbraw/zinc/18/27/15/352182715.db2.gz ROOFOOUFUGXCQN-MWLCHTKSSA-N 1 1 266.349 -0.011 10 0 CBAEMO O=C(NCC1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000191831364 352192813 /nfs/dbraw/zinc/19/28/13/352192813.db2.gz OFWRRSLRKWZZQR-LLVKDONJSA-N 1 1 251.330 -0.181 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195247610 352223805 /nfs/dbraw/zinc/22/38/05/352223805.db2.gz VLXYSJKMOSSUOV-SNVBAGLBSA-N 1 1 271.386 -0.098 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195247610 352223808 /nfs/dbraw/zinc/22/38/08/352223808.db2.gz VLXYSJKMOSSUOV-SNVBAGLBSA-N 1 1 271.386 -0.098 10 0 CBAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)no1 ZINC000195517719 352227869 /nfs/dbraw/zinc/22/78/69/352227869.db2.gz KZSJWNYPJQSXRI-SECBINFHSA-N 1 1 281.316 -0.173 10 0 CBAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)no1 ZINC000195517719 352227871 /nfs/dbraw/zinc/22/78/71/352227871.db2.gz KZSJWNYPJQSXRI-SECBINFHSA-N 1 1 281.316 -0.173 10 0 CBAEMO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000226733494 352253854 /nfs/dbraw/zinc/25/38/54/352253854.db2.gz PLIFHQULERLSCL-CHWSQXEVSA-N 1 1 286.372 -0.293 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@H]1C ZINC000248615187 352353860 /nfs/dbraw/zinc/35/38/60/352353860.db2.gz LUOIDGPQBRJRCI-WOPDTQHZSA-N 1 1 298.387 -0.686 10 0 CBAEMO CN1CCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000245530565 352321621 /nfs/dbraw/zinc/32/16/21/352321621.db2.gz GHROADAHCIOXDQ-AWEZNQCLSA-N 1 1 280.416 -0.070 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C ZINC000245994042 352326637 /nfs/dbraw/zinc/32/66/37/352326637.db2.gz HDKLRRPSOAGLSD-NEPJUHHUSA-N 1 1 283.372 -0.308 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C ZINC000245994042 352326639 /nfs/dbraw/zinc/32/66/39/352326639.db2.gz HDKLRRPSOAGLSD-NEPJUHHUSA-N 1 1 283.372 -0.308 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000246505580 352333394 /nfs/dbraw/zinc/33/33/94/352333394.db2.gz SISXZTWNONZKJE-NXEZZACHSA-N 1 1 292.405 -0.697 10 0 CBAEMO C[C@@H]1CN(c2nccn(C)c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246517700 352334865 /nfs/dbraw/zinc/33/48/65/352334865.db2.gz OHNSWCTWHMHDRA-VXGBXAGGSA-N 1 1 278.356 -0.063 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000246591685 352336346 /nfs/dbraw/zinc/33/63/46/352336346.db2.gz CCIWMXIHJKQZJZ-NSHDSACASA-N 1 1 279.406 -0.117 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000246591685 352336351 /nfs/dbraw/zinc/33/63/51/352336351.db2.gz CCIWMXIHJKQZJZ-NSHDSACASA-N 1 1 279.406 -0.117 10 0 CBAEMO C[C@@H](CN1CCO[C@@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000246674770 352337438 /nfs/dbraw/zinc/33/74/38/352337438.db2.gz XLKTUOPKEIDHPG-RYUDHWBXSA-N 1 1 278.418 -0.071 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)CN(C)C1=O ZINC000246974887 352340686 /nfs/dbraw/zinc/34/06/86/352340686.db2.gz DTXGXNUBFPWJTC-MNOVXSKESA-N 1 1 294.355 -0.425 10 0 CBAEMO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246952988 352341149 /nfs/dbraw/zinc/34/11/49/352341149.db2.gz NWMYUAJMAOHQTI-KGLIPLIRSA-N 1 1 299.415 -0.208 10 0 CBAEMO O[C@@H](Cn1cccn1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247014634 352341369 /nfs/dbraw/zinc/34/13/69/352341369.db2.gz CHRZENIRWCLEGP-ZIAGYGMSSA-N 1 1 291.355 -0.159 10 0 CBAEMO O[C@@H](Cn1cccn1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247014634 352341372 /nfs/dbraw/zinc/34/13/72/352341372.db2.gz CHRZENIRWCLEGP-ZIAGYGMSSA-N 1 1 291.355 -0.159 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247202316 352343546 /nfs/dbraw/zinc/34/35/46/352343546.db2.gz UZEAQKFOXKUSMK-JTQLQIEISA-N 1 1 265.379 -0.507 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247202316 352343551 /nfs/dbraw/zinc/34/35/51/352343551.db2.gz UZEAQKFOXKUSMK-JTQLQIEISA-N 1 1 265.379 -0.507 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)NC(=O)NC)C[C@H]1C ZINC000247151320 352344054 /nfs/dbraw/zinc/34/40/54/352344054.db2.gz LSEFJZBMVPTGJT-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(=O)NC)C[C@H]1C ZINC000247151320 352344056 /nfs/dbraw/zinc/34/40/56/352344056.db2.gz LSEFJZBMVPTGJT-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC000247237791 352344362 /nfs/dbraw/zinc/34/43/62/352344362.db2.gz RWSWZGVMDADYRW-GHMZBOCLSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC000247237791 352344367 /nfs/dbraw/zinc/34/43/67/352344367.db2.gz RWSWZGVMDADYRW-GHMZBOCLSA-N 1 1 286.376 -0.388 10 0 CBAEMO CN(CC[N@@H+](C)C1CC1)C[C@@H](O)CN1CCCC1=O ZINC000248788775 352356150 /nfs/dbraw/zinc/35/61/50/352356150.db2.gz XSWVMRZCEORAIH-CYBMUJFWSA-N 1 1 269.389 -0.004 10 0 CBAEMO CN(CC[N@H+](C)C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000248788775 352356157 /nfs/dbraw/zinc/35/61/57/352356157.db2.gz XSWVMRZCEORAIH-CYBMUJFWSA-N 1 1 269.389 -0.004 10 0 CBAEMO CN(CC[N@@H+](C)C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000248788775 352356160 /nfs/dbraw/zinc/35/61/60/352356160.db2.gz XSWVMRZCEORAIH-CYBMUJFWSA-N 1 1 269.389 -0.004 10 0 CBAEMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247371701 352346265 /nfs/dbraw/zinc/34/62/65/352346265.db2.gz RZFSFDLJXFIJDK-WDEREUQCSA-N 1 1 271.361 -0.716 10 0 CBAEMO COCC[N@H+]1CCN(C[C@@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000247483617 352346791 /nfs/dbraw/zinc/34/67/91/352346791.db2.gz KBUCNIXASOICIF-UONOGXRCSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000247483617 352346795 /nfs/dbraw/zinc/34/67/95/352346795.db2.gz KBUCNIXASOICIF-UONOGXRCSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000247483617 352346796 /nfs/dbraw/zinc/34/67/96/352346796.db2.gz KBUCNIXASOICIF-UONOGXRCSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCC[N@H+]1CCN(C[C@@H](O)CN2CCCC2=O)C[C@H]1C ZINC000247483621 352346885 /nfs/dbraw/zinc/34/68/85/352346885.db2.gz KBUCNIXASOICIF-ZIAGYGMSSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C[C@H]1C ZINC000247483621 352346889 /nfs/dbraw/zinc/34/68/89/352346889.db2.gz KBUCNIXASOICIF-ZIAGYGMSSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C[C@H]1C ZINC000247483621 352346895 /nfs/dbraw/zinc/34/68/95/352346895.db2.gz KBUCNIXASOICIF-ZIAGYGMSSA-N 1 1 299.415 -0.378 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)cn1 ZINC000247579912 352348025 /nfs/dbraw/zinc/34/80/25/352348025.db2.gz YIUCOJZVKPUKMW-ZFWWWQNUSA-N 1 1 294.399 -0.098 10 0 CBAEMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247594192 352348183 /nfs/dbraw/zinc/34/81/83/352348183.db2.gz RUORNGGDTZTBRS-QWHCGFSZSA-N 1 1 297.399 -0.053 10 0 CBAEMO COC(=O)CCNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248332991 352349963 /nfs/dbraw/zinc/34/99/63/352349963.db2.gz FMZRMGNPAXRGIG-LBPRGKRZSA-N 1 1 283.372 -0.164 10 0 CBAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249270121 352362326 /nfs/dbraw/zinc/36/23/26/352362326.db2.gz APQRONKUQOSTOP-UTUOFQBUSA-N 1 1 256.346 -0.185 10 0 CBAEMO Cn1cc(N2CCC[C@H]([N@@H+]3C[C@@H](O)C[C@@H]3CO)C2=O)cn1 ZINC000249291182 352363593 /nfs/dbraw/zinc/36/35/93/352363593.db2.gz KRYGSXWJFFLAGD-WXHSDQCUSA-N 1 1 294.355 -0.657 10 0 CBAEMO Cn1cc(N2CCC[C@H]([N@H+]3C[C@@H](O)C[C@@H]3CO)C2=O)cn1 ZINC000249291182 352363598 /nfs/dbraw/zinc/36/35/98/352363598.db2.gz KRYGSXWJFFLAGD-WXHSDQCUSA-N 1 1 294.355 -0.657 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000249611033 352369552 /nfs/dbraw/zinc/36/95/52/352369552.db2.gz JOKBOVDJVFAKSQ-MNOVXSKESA-N 1 1 289.401 -0.043 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000249611033 352369554 /nfs/dbraw/zinc/36/95/54/352369554.db2.gz JOKBOVDJVFAKSQ-MNOVXSKESA-N 1 1 289.401 -0.043 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249837547 352371177 /nfs/dbraw/zinc/37/11/77/352371177.db2.gz TUJLOWNCPSPSFH-UWVGGRQHSA-N 1 1 275.374 -0.769 10 0 CBAEMO CC[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@H](C)O ZINC000252321426 352376163 /nfs/dbraw/zinc/37/61/63/352376163.db2.gz AODWDPLDJWUDIB-NWDGAFQWSA-N 1 1 298.387 -0.685 10 0 CBAEMO O=C([C@@H]1CNC(=O)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000252970627 352380688 /nfs/dbraw/zinc/38/06/88/352380688.db2.gz XHMUNLKXOAPGRM-QWHCGFSZSA-N 1 1 295.383 -0.164 10 0 CBAEMO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000261934753 352400525 /nfs/dbraw/zinc/40/05/25/352400525.db2.gz MCPXFZFODHYOOK-CJJWORHMSA-N 1 1 281.356 -0.511 10 0 CBAEMO COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261816680 352397791 /nfs/dbraw/zinc/39/77/91/352397791.db2.gz HRNJATJSQJFHCV-ZDUSSCGKSA-N 1 1 287.404 -0.175 10 0 CBAEMO CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CCN1C[C@@H](C)O ZINC000261851602 352398389 /nfs/dbraw/zinc/39/83/89/352398389.db2.gz MJZPZMAXWVXCLY-CHWSQXEVSA-N 1 1 299.415 -0.202 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2noc(CN)n2)C[C@@H]1C ZINC000262177544 352409315 /nfs/dbraw/zinc/40/93/15/352409315.db2.gz IGPMORKQRMVOOL-VHSXEESVSA-N 1 1 269.349 -0.585 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000262251960 352412287 /nfs/dbraw/zinc/41/22/87/352412287.db2.gz LPBMIQHQHLBIQN-SYQHCUMBSA-N 1 1 299.415 -0.333 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CCOCC1(C)C ZINC000262302007 352415762 /nfs/dbraw/zinc/41/57/62/352415762.db2.gz PRLGEWDIYOJMEN-NEPJUHHUSA-N 1 1 285.388 -0.410 10 0 CBAEMO COC[C@H](N)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000262331007 352415974 /nfs/dbraw/zinc/41/59/74/352415974.db2.gz RRSRDZVACMDAHL-ZDUSSCGKSA-N 1 1 287.404 -0.034 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@@H]1C ZINC000262321271 352416459 /nfs/dbraw/zinc/41/64/59/352416459.db2.gz RHYSWIOPBUGMDI-LOWDOPEQSA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@@H]1C ZINC000262321271 352416460 /nfs/dbraw/zinc/41/64/60/352416460.db2.gz RHYSWIOPBUGMDI-LOWDOPEQSA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262408891 352420344 /nfs/dbraw/zinc/42/03/44/352420344.db2.gz ZAEUGZXYHFKUQI-MDZLAQPJSA-N 1 1 267.373 -0.036 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000262580264 352426687 /nfs/dbraw/zinc/42/66/87/352426687.db2.gz UJDJQPINSYUGJS-DCAQKATOSA-N 1 1 292.401 -0.226 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263221652 352439826 /nfs/dbraw/zinc/43/98/26/352439826.db2.gz LXTCKAWVSLTIOE-ZWNOBZJWSA-N 1 1 289.335 -0.548 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CCNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263221646 352439839 /nfs/dbraw/zinc/43/98/39/352439839.db2.gz LXTCKAWVSLTIOE-GWCFXTLKSA-N 1 1 289.335 -0.548 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CCNC[C@H]1C[NH2+]C[C@H]1O ZINC000263221648 352440334 /nfs/dbraw/zinc/44/03/34/352440334.db2.gz LXTCKAWVSLTIOE-GXFFZTMASA-N 1 1 289.335 -0.548 10 0 CBAEMO CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1=O ZINC000261965958 352401988 /nfs/dbraw/zinc/40/19/88/352401988.db2.gz PZPLVVACNDFXID-YWVKMMECSA-N 1 1 283.328 -0.985 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000262033279 352404445 /nfs/dbraw/zinc/40/44/45/352404445.db2.gz XSNZJUCRQNNCMK-KCJUWKMLSA-N 1 1 251.286 -0.299 10 0 CBAEMO CC(C)CN1CCO[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000263344258 352443518 /nfs/dbraw/zinc/44/35/18/352443518.db2.gz YNMIBZJTSGALEQ-LBPRGKRZSA-N 1 1 255.362 -0.321 10 0 CBAEMO OCCC[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000303971048 352745541 /nfs/dbraw/zinc/74/55/41/352745541.db2.gz DBBABPODRMHXPA-UONOGXRCSA-N 1 1 272.389 -0.084 10 0 CBAEMO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@@H]1[NH+](C)C ZINC000310293368 352759302 /nfs/dbraw/zinc/75/93/02/352759302.db2.gz RZIJFSFGOXEONE-BDAKNGLRSA-N 1 1 258.347 -0.020 10 0 CBAEMO Cc1cnn(CC[N@H+]2CCC[C@](O)(C(N)=O)C2)c1 ZINC000311231413 352766835 /nfs/dbraw/zinc/76/68/35/352766835.db2.gz BAXLQBBLXISALU-GFCCVEGCSA-N 1 1 252.318 -0.496 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000311635110 352769163 /nfs/dbraw/zinc/76/91/63/352769163.db2.gz PWLQFUYOGSQKJR-CYBMUJFWSA-N 1 1 269.345 -0.643 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000311635110 352769165 /nfs/dbraw/zinc/76/91/65/352769165.db2.gz PWLQFUYOGSQKJR-CYBMUJFWSA-N 1 1 269.345 -0.643 10 0 CBAEMO CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311889778 352771072 /nfs/dbraw/zinc/77/10/72/352771072.db2.gz DAILJWCKNLIRPB-RYUDHWBXSA-N 1 1 291.417 -0.622 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000312020620 352773304 /nfs/dbraw/zinc/77/33/04/352773304.db2.gz YTACUMSVHWLJEB-VHSXEESVSA-N 1 1 273.333 -0.696 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000312020620 352773306 /nfs/dbraw/zinc/77/33/06/352773306.db2.gz YTACUMSVHWLJEB-VHSXEESVSA-N 1 1 273.333 -0.696 10 0 CBAEMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336793903 353054332 /nfs/dbraw/zinc/05/43/32/353054332.db2.gz YWAZPSHQCLXNNO-JQWIXIFHSA-N 1 1 260.334 -0.916 10 0 CBAEMO C[N@H+]1CCO[C@H]2CN(c3nnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC000153183541 188069481 /nfs/dbraw/zinc/06/94/81/188069481.db2.gz MCQFDELRYYTECX-IUCAKERBSA-N 1 1 297.746 -0.252 10 0 CBAEMO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000261543213 137692188 /nfs/dbraw/zinc/69/21/88/137692188.db2.gz RTNKWTLFZWBYGT-HRDYMLBCSA-N 1 1 259.375 -0.021 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000352660167 353499756 /nfs/dbraw/zinc/49/97/56/353499756.db2.gz MYEJUSKRKQLSOZ-YNEHKIRRSA-N 1 1 258.362 -0.475 10 0 CBAEMO O=C(CC[NH+]1CCC(n2cncn2)CC1)N1CCNCC1 ZINC000262211872 137710030 /nfs/dbraw/zinc/71/00/30/137710030.db2.gz TUMWOCFLQXHMDZ-UHFFFAOYSA-N 1 1 292.387 -0.263 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@H]12 ZINC000383583493 353785426 /nfs/dbraw/zinc/78/54/26/353785426.db2.gz MLXGZOONKFVJAF-XHNCKOQMSA-N 1 1 256.331 -0.233 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401514289 353802277 /nfs/dbraw/zinc/80/22/77/353802277.db2.gz YDULAEANYZQQES-VXGBXAGGSA-N 1 1 285.388 -0.326 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401514289 353802281 /nfs/dbraw/zinc/80/22/81/353802281.db2.gz YDULAEANYZQQES-VXGBXAGGSA-N 1 1 285.388 -0.326 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401736659 353803682 /nfs/dbraw/zinc/80/36/82/353803682.db2.gz IILVHJZLSVIPNG-NXEZZACHSA-N 1 1 257.334 -0.075 10 0 CBAEMO COC(=O)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000569984168 354851596 /nfs/dbraw/zinc/85/15/96/354851596.db2.gz ZYYHOVRCPBMGNE-VWYCJHECSA-N 1 1 270.329 -0.225 10 0 CBAEMO CC1(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000573723745 354919946 /nfs/dbraw/zinc/91/99/46/354919946.db2.gz ZHTLUKFUUQKRPE-NXEZZACHSA-N 1 1 260.359 -0.069 10 0 CBAEMO CC[NH+](CC)C1=C(C)NNC1(C(=O)OC)C(=O)OC ZINC000584659850 355034733 /nfs/dbraw/zinc/03/47/33/355034733.db2.gz YOWKRBRTFLAXDP-VIFPVBQESA-N 1 1 271.317 -0.239 10 0 CBAEMO COC(=O)CCCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000599417921 355487116 /nfs/dbraw/zinc/48/71/16/355487116.db2.gz YGZVQVBKAQKHHL-GFCCVEGCSA-N 1 1 258.318 -0.358 10 0 CBAEMO CNc1ccccc1[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616601809 356102450 /nfs/dbraw/zinc/10/24/50/356102450.db2.gz PNTQIVZVBVXFNU-NSHDSACASA-N 1 1 270.358 -0.122 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(C(N)=O)c1 ZINC000616603916 356102461 /nfs/dbraw/zinc/10/24/61/356102461.db2.gz HTGOYQHGFUYXJX-NSHDSACASA-N 1 1 283.353 -0.309 10 0 CBAEMO CC(C)(C)OC(=O)NCCN1CCNC[C@H]1C[NH3+] ZINC000616635739 356103311 /nfs/dbraw/zinc/10/33/11/356103311.db2.gz LCQIDGZEQIMYII-SNVBAGLBSA-N 1 1 258.366 -0.256 10 0 CBAEMO Nc1ccccc1[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616639945 356104538 /nfs/dbraw/zinc/10/45/38/356104538.db2.gz SOSUTOCADCNARM-SNVBAGLBSA-N 1 1 256.331 -0.581 10 0 CBAEMO CN(CC[N@@H+](C)CCO)Cc1nnn(C(C)(C)C)n1 ZINC000623090275 356354543 /nfs/dbraw/zinc/35/45/43/356354543.db2.gz GUIJYRWJNSKCKO-UHFFFAOYSA-N 1 1 270.381 -0.216 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CC(O)(C3CC3)C2)[N@H+](C)C1 ZINC000329026997 202157916 /nfs/dbraw/zinc/15/79/16/202157916.db2.gz KAIFJAUUHFQUNT-QWRGUYRKSA-N 1 1 254.330 -0.311 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CC(O)(C3CC3)C2)[N@@H+](C)C1 ZINC000329026997 202157920 /nfs/dbraw/zinc/15/79/20/202157920.db2.gz KAIFJAUUHFQUNT-QWRGUYRKSA-N 1 1 254.330 -0.311 10 0 CBAEMO C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000628756295 356721141 /nfs/dbraw/zinc/72/11/41/356721141.db2.gz RJNFAVAOPWJEAA-GHMZBOCLSA-N 1 1 253.346 -0.029 10 0 CBAEMO CO[C@H]1CN(C(=O)Cc2ccn[nH]2)[C@@](C)(C[NH3+])C1 ZINC000630373721 356840418 /nfs/dbraw/zinc/84/04/18/356840418.db2.gz LCQUWAZCGOWAEZ-ZYHUDNBSSA-N 1 1 252.318 -0.083 10 0 CBAEMO C[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631840224 356911213 /nfs/dbraw/zinc/91/12/13/356911213.db2.gz QNURUDUEXNJESN-WDEREUQCSA-N 1 1 263.407 -0.206 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638698497 357521597 /nfs/dbraw/zinc/52/15/97/357521597.db2.gz NTOYRCSZXQIZHU-IMSYWVGJSA-N 1 1 255.318 -0.914 10 0 CBAEMO CCc1nnc(CN2CC[N@H+](C)C[C@@H]2CO)n1C ZINC000639869281 357613752 /nfs/dbraw/zinc/61/37/52/357613752.db2.gz CJNQWDHUPBCLBK-SNVBAGLBSA-N 1 1 253.350 -0.514 10 0 CBAEMO CCc1nnc(CN2CC[N@@H+](C)C[C@@H]2CO)n1C ZINC000639869281 357613755 /nfs/dbraw/zinc/61/37/55/357613755.db2.gz CJNQWDHUPBCLBK-SNVBAGLBSA-N 1 1 253.350 -0.514 10 0 CBAEMO CCn1c(C)nnc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639871489 357615314 /nfs/dbraw/zinc/61/53/14/357615314.db2.gz KODJXVDFZAQDHB-NSHDSACASA-N 1 1 253.350 -0.285 10 0 CBAEMO CCn1c(C)nnc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639871489 357615317 /nfs/dbraw/zinc/61/53/17/357615317.db2.gz KODJXVDFZAQDHB-NSHDSACASA-N 1 1 253.350 -0.285 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940848 357618680 /nfs/dbraw/zinc/61/86/80/357618680.db2.gz CVCVICXWQAYHSW-VXGBXAGGSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940848 357618684 /nfs/dbraw/zinc/61/86/84/357618684.db2.gz CVCVICXWQAYHSW-VXGBXAGGSA-N 1 1 285.388 -0.184 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000261897437 291209757 /nfs/dbraw/zinc/20/97/57/291209757.db2.gz ABALZYKNDRZLCW-VLEAKVRGSA-N 1 1 290.385 -0.603 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000261859161 291211192 /nfs/dbraw/zinc/21/11/92/291211192.db2.gz CAJKRDIIZJDWDH-SCVCMEIPSA-N 1 1 283.372 -0.121 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nc(N)nc(N)n1 ZINC000177696130 189063882 /nfs/dbraw/zinc/06/38/82/189063882.db2.gz FACIZPIZWCNIGA-VIFPVBQESA-N 1 1 265.365 -0.048 10 0 CBAEMO Cn1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000177691297 189064044 /nfs/dbraw/zinc/06/40/44/189064044.db2.gz NKCCUHBZXLJZSO-JTQLQIEISA-N 1 1 277.328 -0.335 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCOc1ccccc1 ZINC000179169946 189174415 /nfs/dbraw/zinc/17/44/15/189174415.db2.gz OECZINVTLHNHEX-OLZOCXBDSA-N 1 1 294.351 -0.391 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCOc1ccccc1 ZINC000179169946 189174416 /nfs/dbraw/zinc/17/44/16/189174416.db2.gz OECZINVTLHNHEX-OLZOCXBDSA-N 1 1 294.351 -0.391 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccccc1F ZINC000179176826 189174771 /nfs/dbraw/zinc/17/47/71/189174771.db2.gz AUPAWKKBRMIHNE-NEPJUHHUSA-N 1 1 282.315 -0.131 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccccc1F ZINC000179176826 189174772 /nfs/dbraw/zinc/17/47/72/189174772.db2.gz AUPAWKKBRMIHNE-NEPJUHHUSA-N 1 1 282.315 -0.131 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ncnn2C)CC1 ZINC000181269761 189292595 /nfs/dbraw/zinc/29/25/95/189292595.db2.gz GHCRXWBFJPDOOF-JTQLQIEISA-N 1 1 282.348 -0.265 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCn2ccnc2)CC1 ZINC000181527989 189299680 /nfs/dbraw/zinc/29/96/80/189299680.db2.gz JLUDUOQSNMVYDM-CYBMUJFWSA-N 1 1 295.387 -0.019 10 0 CBAEMO CN(CC(=O)N1CCC[C@H]1C[NH3+])c1ncnc2[nH]cnc21 ZINC000237043668 189860581 /nfs/dbraw/zinc/86/05/81/189860581.db2.gz KEKVVTLNGZDAIH-VIFPVBQESA-N 1 1 289.343 -0.261 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085694 372763040 /nfs/dbraw/zinc/76/30/40/372763040.db2.gz GCWCQCHPCFSUAT-STQMWFEESA-N 1 1 268.405 -0.133 10 0 CBAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N=c1nc[nH]n1C ZINC000333276573 205174315 /nfs/dbraw/zinc/17/43/15/205174315.db2.gz OMTUBIXOIYWHAE-GHMZBOCLSA-N 1 1 294.359 -0.436 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250422690 372895773 /nfs/dbraw/zinc/89/57/73/372895773.db2.gz ZRRMCZBIYWIJON-YNEHKIRRSA-N 1 1 268.405 -0.134 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)C1 ZINC000333297495 205195478 /nfs/dbraw/zinc/19/54/78/205195478.db2.gz GXEMDPWSUNOCAG-MNOVXSKESA-N 1 1 279.344 -0.159 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)NC(N)=O ZINC000247108545 372886404 /nfs/dbraw/zinc/88/64/04/372886404.db2.gz IQBYASRSUWUBMG-UWVGGRQHSA-N 1 1 254.334 -0.260 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000344681031 217274141 /nfs/dbraw/zinc/27/41/41/217274141.db2.gz QXRVWDOPGPDFDH-SDDRHHMPSA-N 1 1 292.401 -0.651 10 0 CBAEMO COCCN1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643774692 374412329 /nfs/dbraw/zinc/41/23/29/374412329.db2.gz LCJCLRFIQLQQSR-CYBMUJFWSA-N 1 1 285.388 -0.597 10 0 CBAEMO COC[C@]1(C(=O)N2CCc3[nH]nnc3C2)CCC[NH2+]1 ZINC000643781257 374417956 /nfs/dbraw/zinc/41/79/56/374417956.db2.gz NTIDQATZTBRAIM-LBPRGKRZSA-N 1 1 265.317 -0.542 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000647040893 374872223 /nfs/dbraw/zinc/87/22/23/374872223.db2.gz ARQFLMDVWOGCTH-GZMMTYOYSA-N 1 1 261.285 -0.732 10 0 CBAEMO C[NH2+][C@@H](C(=O)NCCN1CCSCC1)c1cnn(C)c1 ZINC000262435742 190055236 /nfs/dbraw/zinc/05/52/36/190055236.db2.gz UJKGRQIXCUQRTP-GFCCVEGCSA-N 1 1 297.428 -0.154 10 0 CBAEMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)COC ZINC000262283311 285027593 /nfs/dbraw/zinc/02/75/93/285027593.db2.gz LZIQYHJZKOAGSL-GHMZBOCLSA-N 1 1 259.350 -0.813 10 0 CBAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)COC ZINC000262283311 285027594 /nfs/dbraw/zinc/02/75/94/285027594.db2.gz LZIQYHJZKOAGSL-GHMZBOCLSA-N 1 1 259.350 -0.813 10 0 CBAEMO COC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCO1 ZINC000262283755 285295230 /nfs/dbraw/zinc/29/52/30/285295230.db2.gz OBSBWVPYEZRLSA-VWYCJHECSA-N 1 1 258.318 -0.763 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000262287552 285383913 /nfs/dbraw/zinc/38/39/13/285383913.db2.gz YBJRVNVEKUOUHD-DCAQKATOSA-N 1 1 290.385 -0.472 10 0 CBAEMO COCC(=O)N1CCO[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC000096049760 292177455 /nfs/dbraw/zinc/17/74/55/292177455.db2.gz WSMBJVCGKYFRAO-AWEZNQCLSA-N 1 1 286.372 -0.029 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CS(=O)(=O)NC ZINC000246151579 287226516 /nfs/dbraw/zinc/22/65/16/287226516.db2.gz PFRAOVCHCUREEQ-MNOVXSKESA-N 1 1 289.401 -0.379 10 0 CBAEMO C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000037629073 411624790 /nfs/dbraw/zinc/62/47/90/411624790.db2.gz GLBOFIQHTCZZTO-WPRPVWTQSA-N 1 1 293.323 -0.162 10 0 CBAEMO C[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000037629069 411625192 /nfs/dbraw/zinc/62/51/92/411625192.db2.gz GLBOFIQHTCZZTO-WCBMZHEXSA-N 1 1 293.323 -0.162 10 0 CBAEMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC(N)=S ZINC000020420682 171185919 /nfs/dbraw/zinc/18/59/19/171185919.db2.gz WXWPUNPCCBRUQH-SSDOTTSWSA-N 1 1 260.363 -0.171 10 0 CBAEMO CN1CCN([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000022563794 171391086 /nfs/dbraw/zinc/39/10/86/171391086.db2.gz MDPLJUGVMRWAQG-NWDGAFQWSA-N 1 1 255.362 -0.143 10 0 CBAEMO NN=c1[nH]cccc1S(=O)(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000035358461 172148858 /nfs/dbraw/zinc/14/88/58/172148858.db2.gz CSCGMHRRRSUIAC-SNVBAGLBSA-N 1 1 297.384 -0.260 10 0 CBAEMO C[C@H](C[N@@H+](CC(N)=O)Cc1cccc(N)c1)C(N)=O ZINC000035366788 172158360 /nfs/dbraw/zinc/15/83/60/172158360.db2.gz BJMBHGPVEVPQTC-SECBINFHSA-N 1 1 264.329 -0.323 10 0 CBAEMO CS(=O)(=O)CC[C@@H]([NH3+])c1nnc2cnccn21 ZINC000035452527 172205163 /nfs/dbraw/zinc/20/51/63/172205163.db2.gz IRFLEPVLOBRHJV-SSDOTTSWSA-N 1 1 255.303 -0.441 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)NC1CC[NH+](C)CC1 ZINC000037249495 173062524 /nfs/dbraw/zinc/06/25/24/173062524.db2.gz NNECIAJAGDGZMS-VIFPVBQESA-N 1 1 256.350 -0.096 10 0 CBAEMO CNC(=O)CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000037271542 173083505 /nfs/dbraw/zinc/08/35/05/173083505.db2.gz MGMAOCHUGQDKFD-LBPRGKRZSA-N 1 1 261.325 -0.095 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000037803442 173743319 /nfs/dbraw/zinc/74/33/19/173743319.db2.gz QLLKAGFXVDERBZ-NSHDSACASA-N 1 1 262.313 -0.225 10 0 CBAEMO NC(=O)C[NH+]1CCC(Nc2ncccc2C(N)=O)CC1 ZINC000037981604 173941815 /nfs/dbraw/zinc/94/18/15/173941815.db2.gz HXLQYOKIKRATDK-UHFFFAOYSA-N 1 1 277.328 -0.458 10 0 CBAEMO CNc1[nH+]cnc(NCCN2CCOCC2)c1N ZINC000040707130 174379746 /nfs/dbraw/zinc/37/97/46/174379746.db2.gz MWALUNPIVPCHLC-UHFFFAOYSA-N 1 1 252.322 -0.155 10 0 CBAEMO C([C@@H]1CNCCO1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000070941769 176015384 /nfs/dbraw/zinc/01/53/84/176015384.db2.gz UKHSGAHMSXUQNL-OLZOCXBDSA-N 1 1 255.362 -0.619 10 0 CBAEMO C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000070941769 176015385 /nfs/dbraw/zinc/01/53/85/176015385.db2.gz UKHSGAHMSXUQNL-OLZOCXBDSA-N 1 1 255.362 -0.619 10 0 CBAEMO [NH3+]Cc1nc(CN2CCS(=O)(=O)CC2)cs1 ZINC000052480314 544421836 /nfs/dbraw/zinc/42/18/36/544421836.db2.gz HQODMVQMYVWXHZ-UHFFFAOYSA-N 1 1 261.372 -0.168 10 0 CBAEMO CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088370967 544433579 /nfs/dbraw/zinc/43/35/79/544433579.db2.gz VXZBXVHUKNYHEE-LBPRGKRZSA-N 1 1 298.387 -0.419 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1cnc(N)n1 ZINC000092621235 544440885 /nfs/dbraw/zinc/44/08/85/544440885.db2.gz RUDBOBXRKDDOMV-SNVBAGLBSA-N 1 1 266.349 -0.197 10 0 CBAEMO C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000094441386 544443869 /nfs/dbraw/zinc/44/38/69/544443869.db2.gz YYRQCWUMOAXGCK-ZIAGYGMSSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000094456627 544444345 /nfs/dbraw/zinc/44/43/45/544444345.db2.gz LWWXLFSHTOBYAY-VHSXEESVSA-N 1 1 264.333 -0.445 10 0 CBAEMO C([C@H]1CNCCO1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000222905906 544491820 /nfs/dbraw/zinc/49/18/20/544491820.db2.gz UKHSGAHMSXUQNL-CHWSQXEVSA-N 1 1 255.362 -0.619 10 0 CBAEMO C([C@H]1C[NH2+]CCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000222905906 544491822 /nfs/dbraw/zinc/49/18/22/544491822.db2.gz UKHSGAHMSXUQNL-CHWSQXEVSA-N 1 1 255.362 -0.619 10 0 CBAEMO CN1CCC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131252112 544459158 /nfs/dbraw/zinc/45/91/58/544459158.db2.gz BNSRSFWYVAUJSD-GFCCVEGCSA-N 1 1 268.405 -0.119 10 0 CBAEMO CN1CCC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131252372 544459714 /nfs/dbraw/zinc/45/97/14/544459714.db2.gz BNSRSFWYVAUJSD-LBPRGKRZSA-N 1 1 268.405 -0.119 10 0 CBAEMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132593356 544462459 /nfs/dbraw/zinc/46/24/59/544462459.db2.gz KRQBWCKROQNMFQ-KBPBESRZSA-N 1 1 299.415 -0.330 10 0 CBAEMO CC(C)[C@@H]([NH3+])CC(=O)NCCN1CCN(C)CC1 ZINC000136365881 544463520 /nfs/dbraw/zinc/46/35/20/544463520.db2.gz RMKGNMADNXEKKV-LBPRGKRZSA-N 1 1 256.394 -0.277 10 0 CBAEMO CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000328637592 544532306 /nfs/dbraw/zinc/53/23/06/544532306.db2.gz WBDXOSMVFKGSKM-NEPJUHHUSA-N 1 1 293.371 -0.445 10 0 CBAEMO CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000328637592 544532308 /nfs/dbraw/zinc/53/23/08/544532308.db2.gz WBDXOSMVFKGSKM-NEPJUHHUSA-N 1 1 293.371 -0.445 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC000245421992 544511001 /nfs/dbraw/zinc/51/10/01/544511001.db2.gz IHPUBDCTKRZDEP-MNOVXSKESA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC000245421992 544511010 /nfs/dbraw/zinc/51/10/10/544511010.db2.gz IHPUBDCTKRZDEP-MNOVXSKESA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC000245421992 544511014 /nfs/dbraw/zinc/51/10/14/544511014.db2.gz IHPUBDCTKRZDEP-MNOVXSKESA-N 1 1 266.345 -0.134 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000247522630 544511735 /nfs/dbraw/zinc/51/17/35/544511735.db2.gz ZEXLMPCETIZKFF-GMTAPVOTSA-N 1 1 296.371 -0.181 10 0 CBAEMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000037826051 419409480 /nfs/dbraw/zinc/40/94/80/419409480.db2.gz PMDSKWIZEOERQY-GFCCVEGCSA-N 1 1 284.404 -0.232 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)NC(=O)NC)C[C@@H]1C ZINC000105834483 419481227 /nfs/dbraw/zinc/48/12/27/419481227.db2.gz LSEFJZBMVPTGJT-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(=O)NC)C[C@@H]1C ZINC000105834483 419481238 /nfs/dbraw/zinc/48/12/38/419481238.db2.gz LSEFJZBMVPTGJT-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CC[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC000105835952 419482131 /nfs/dbraw/zinc/48/21/31/419482131.db2.gz FTLLFNHTVNIHHO-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO COc1ccc(N(C)C(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000380124888 544573983 /nfs/dbraw/zinc/57/39/83/544573983.db2.gz VLJQOIBZWSJWOM-JTQLQIEISA-N 1 1 251.286 -0.139 10 0 CBAEMO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000394020929 544579142 /nfs/dbraw/zinc/57/91/42/544579142.db2.gz IZRBXPDULHTIKJ-KBPBESRZSA-N 1 1 271.405 -0.295 10 0 CBAEMO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000393000321 544578671 /nfs/dbraw/zinc/57/86/71/544578671.db2.gz KFTRTKWPRZBZPA-TUAOUCFPSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000393000321 544578675 /nfs/dbraw/zinc/57/86/75/544578675.db2.gz KFTRTKWPRZBZPA-TUAOUCFPSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCC(=O)N(C)C)C1 ZINC000194133123 419548890 /nfs/dbraw/zinc/54/88/90/419548890.db2.gz YQBMRZGIWCEYHQ-SNVBAGLBSA-N 1 1 256.350 -0.142 10 0 CBAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194524676 419553101 /nfs/dbraw/zinc/55/31/01/419553101.db2.gz CTACSCSBPIRXBU-STQMWFEESA-N 1 1 296.415 -0.488 10 0 CBAEMO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394377447 544579002 /nfs/dbraw/zinc/57/90/02/544579002.db2.gz DEGUIMISNRZZDJ-MJBXVCDLSA-N 1 1 280.416 -0.133 10 0 CBAEMO COc1cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)sn1 ZINC000401105148 544585922 /nfs/dbraw/zinc/58/59/22/544585922.db2.gz IAZXNBFLUKKPIJ-NSHDSACASA-N 1 1 271.342 -0.036 10 0 CBAEMO COc1cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)sn1 ZINC000401105148 544585924 /nfs/dbraw/zinc/58/59/24/544585924.db2.gz IAZXNBFLUKKPIJ-NSHDSACASA-N 1 1 271.342 -0.036 10 0 CBAEMO O=C(NC[C@H]1CN2CCN1CCC2)[C@H]1CCC[NH2+]C1 ZINC000394382006 544580634 /nfs/dbraw/zinc/58/06/34/544580634.db2.gz OQUKDJVOLLUCDW-STQMWFEESA-N 1 1 266.389 -0.508 10 0 CBAEMO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394389328 544581536 /nfs/dbraw/zinc/58/15/36/544581536.db2.gz QKAAYIFKSQHHEF-CHWSQXEVSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@@H]1C ZINC000247054057 419592540 /nfs/dbraw/zinc/59/25/40/419592540.db2.gz FLZIOVATTROXIH-UWVGGRQHSA-N 1 1 299.400 -0.137 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000261881391 419598622 /nfs/dbraw/zinc/59/86/22/419598622.db2.gz FIMCJXIFOXJEBW-UTLUCORTSA-N 1 1 276.358 -0.991 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000314362310 419623083 /nfs/dbraw/zinc/62/30/83/419623083.db2.gz KTFSUSYPTMWYLS-YRGRVCCFSA-N 1 1 285.388 -0.592 10 0 CBAEMO COc1ccccc1OCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000647905548 419688602 /nfs/dbraw/zinc/68/86/02/419688602.db2.gz HPHUCZUXGKGOBT-VIFPVBQESA-N 1 1 281.312 -0.607 10 0 CBAEMO CCO[C@]1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOC1 ZINC000405667292 544587957 /nfs/dbraw/zinc/58/79/57/544587957.db2.gz JHRKKASCYQXTSL-OUCADQQQSA-N 1 1 284.356 -0.541 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@@](C)(C(F)F)O1 ZINC000663004557 419808393 /nfs/dbraw/zinc/80/83/93/419808393.db2.gz MXWAPXTYBIINEP-BUYFANAVSA-N 1 1 279.287 -0.540 10 0 CBAEMO O=C([C@H]1C[NH2+]CCOC1)N1CCN(C2CCC2)CC1 ZINC000649334100 419895527 /nfs/dbraw/zinc/89/55/27/419895527.db2.gz JECLFJNSICDVER-LBPRGKRZSA-N 1 1 267.373 -0.081 10 0 CBAEMO COc1c(N)[nH+]cnc1N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000664270704 419896189 /nfs/dbraw/zinc/89/61/89/419896189.db2.gz HTLNVIDWDMHSKC-RQJHMYQMSA-N 1 1 288.329 -0.709 10 0 CBAEMO COC[C@]1(C(=O)NCCN2CCN(C)CC2)CCC[NH2+]1 ZINC000649350122 419900041 /nfs/dbraw/zinc/90/00/41/419900041.db2.gz GDNZBTUCEJMSKT-AWEZNQCLSA-N 1 1 284.404 -0.881 10 0 CBAEMO C[C@H]1CN(C(=O)Cc2cnnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000669320107 544745941 /nfs/dbraw/zinc/74/59/41/544745941.db2.gz KZISVSUMNIPVIU-AAEUAGOBSA-N 1 1 293.371 -0.463 10 0 CBAEMO Cc1cnn(CC[N@H+]2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000671553236 544820667 /nfs/dbraw/zinc/82/06/67/544820667.db2.gz MDAHFSIVGVVYHB-CYBMUJFWSA-N 1 1 276.344 -0.080 10 0 CBAEMO CC(C)O[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000404661094 420227447 /nfs/dbraw/zinc/22/74/47/420227447.db2.gz WNWFEICVDDBOSZ-NXEZZACHSA-N 1 1 257.334 -0.395 10 0 CBAEMO COC(=O)C1([NH3+])CC(NS(=O)(=O)C(C)C)C1 ZINC000675074291 544925496 /nfs/dbraw/zinc/92/54/96/544925496.db2.gz SSPGJNJJPSDBHJ-UHFFFAOYSA-N 1 1 250.320 -0.653 10 0 CBAEMO COC[C@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258591 545083524 /nfs/dbraw/zinc/08/35/24/545083524.db2.gz UHHVGNOIUUQFDC-NSHDSACASA-N 1 1 253.306 -0.670 10 0 CBAEMO CO[C@H](C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259876 545083551 /nfs/dbraw/zinc/08/35/51/545083551.db2.gz KJLXOLQZGFBRHY-GMSGAONNSA-N 1 1 253.306 -0.672 10 0 CBAEMO O=C1C[C@H]([NH+]2CCN(CCO)CC2)C[C@H](C(F)(F)F)N1 ZINC000725263245 545083729 /nfs/dbraw/zinc/08/37/29/545083729.db2.gz ZFYHWCLAIUTKQV-NXEZZACHSA-N 1 1 295.305 -0.194 10 0 CBAEMO CC(=O)NCCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247112992 277030404 /nfs/dbraw/zinc/03/04/04/277030404.db2.gz JBJTZUKOVVBAEO-NEPJUHHUSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247112992 277030405 /nfs/dbraw/zinc/03/04/05/277030405.db2.gz JBJTZUKOVVBAEO-NEPJUHHUSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247112992 277030406 /nfs/dbraw/zinc/03/04/06/277030406.db2.gz JBJTZUKOVVBAEO-NEPJUHHUSA-N 1 1 257.378 -0.101 10 0 CBAEMO COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000352371493 277077222 /nfs/dbraw/zinc/07/72/22/277077222.db2.gz JGTHBPKKWURAGR-ZWNOBZJWSA-N 1 1 272.345 -0.114 10 0 CBAEMO COc1ccnc(N2CCC3(CC2)[NH2+]CCNC3=O)n1 ZINC000067819827 278065335 /nfs/dbraw/zinc/06/53/35/278065335.db2.gz WKYPXXZEVWRNDE-UHFFFAOYSA-N 1 1 277.328 -0.456 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000246308697 288136206 /nfs/dbraw/zinc/13/62/06/288136206.db2.gz CHYJWXFVEHHZNJ-VXGBXAGGSA-N 1 1 255.362 -0.273 10 0 CBAEMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1N(C)C ZINC000311252050 288185117 /nfs/dbraw/zinc/18/51/17/288185117.db2.gz TZDYNNLWOSEWDH-HZSPNIEDSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1N(C)C ZINC000311252050 288185118 /nfs/dbraw/zinc/18/51/18/288185118.db2.gz TZDYNNLWOSEWDH-HZSPNIEDSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000261992600 280057705 /nfs/dbraw/zinc/05/77/05/280057705.db2.gz SYGZKMZAPDSBMQ-WOPDTQHZSA-N 1 1 279.344 -0.182 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCc2cncnc2C1 ZINC000261837668 280058276 /nfs/dbraw/zinc/05/82/76/280058276.db2.gz ACCBSIGQNHNAAS-SKDRFNHKSA-N 1 1 262.313 -0.262 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000261859159 280058775 /nfs/dbraw/zinc/05/87/75/280058775.db2.gz CAJKRDIIZJDWDH-FOGDFJRCSA-N 1 1 283.372 -0.121 10 0 CBAEMO CC[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105825690 281161222 /nfs/dbraw/zinc/16/12/22/281161222.db2.gz AODWDPLDJWUDIB-NEPJUHHUSA-N 1 1 298.387 -0.685 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247057517 290115722 /nfs/dbraw/zinc/11/57/22/290115722.db2.gz FQOXUABERQDFGS-SRVKXCTJSA-N 1 1 257.378 -0.150 10 0 CBAEMO C[C@@H]1CN(CC[N@@H+]2CCCNC(=O)[C@H]2C)CCO1 ZINC000249217539 297001441 /nfs/dbraw/zinc/00/14/41/297001441.db2.gz FIEJTEWUUKZMSD-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2CCCNC(=O)[C@H]2C)CCO1 ZINC000249217539 297001443 /nfs/dbraw/zinc/00/14/43/297001443.db2.gz FIEJTEWUUKZMSD-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO NS(=O)(=O)C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261749240 295282665 /nfs/dbraw/zinc/28/26/65/295282665.db2.gz CBYSGLMJILUOIL-NWDGAFQWSA-N 1 1 275.418 -0.014 10 0 CBAEMO [NH3+][C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000040173595 295324111 /nfs/dbraw/zinc/32/41/11/295324111.db2.gz GPIXMPNQLBUKMR-NXEZZACHSA-N 1 1 275.351 -0.415 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000245745839 297101088 /nfs/dbraw/zinc/10/10/88/297101088.db2.gz MTMMOPRTYRCARN-YPMHNXCESA-N 1 1 292.383 -0.248 10 0 CBAEMO C[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]1N1CCOCC1 ZINC000177259331 300254330 /nfs/dbraw/zinc/25/43/30/300254330.db2.gz MQAGHJGMOWPEIT-RYUDHWBXSA-N 1 1 298.387 -0.386 10 0 CBAEMO NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000038042763 303245278 /nfs/dbraw/zinc/24/52/78/303245278.db2.gz SIHHNIVXFXQAPJ-NSHDSACASA-N 1 1 269.345 -0.125 10 0 CBAEMO NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000038042763 303245281 /nfs/dbraw/zinc/24/52/81/303245281.db2.gz SIHHNIVXFXQAPJ-NSHDSACASA-N 1 1 269.345 -0.125 10 0 CBAEMO NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042762 303245288 /nfs/dbraw/zinc/24/52/88/303245288.db2.gz SIHHNIVXFXQAPJ-LLVKDONJSA-N 1 1 269.345 -0.125 10 0 CBAEMO NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042762 303245289 /nfs/dbraw/zinc/24/52/89/303245289.db2.gz SIHHNIVXFXQAPJ-LLVKDONJSA-N 1 1 269.345 -0.125 10 0 CBAEMO C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000563231539 327987581 /nfs/dbraw/zinc/98/75/81/327987581.db2.gz KNDFNYPKUSLGBV-QJPTWQEYSA-N 1 1 275.418 -0.002 10 0 CBAEMO NC(=O)c1cnccc1NCCCN1CC[NH2+]CC1 ZINC000398954697 329446719 /nfs/dbraw/zinc/44/67/19/329446719.db2.gz GYWGAMGQNFOTGY-UHFFFAOYSA-N 1 1 263.345 -0.690 10 0 CBAEMO C(CN1CCOCC1)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000580455815 330141738 /nfs/dbraw/zinc/14/17/38/330141738.db2.gz RJNHGVSFTXJEMH-ZIAGYGMSSA-N 1 1 269.389 -0.229 10 0 CBAEMO C(CN1CCOCC1)C[N@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000580455815 330141740 /nfs/dbraw/zinc/14/17/40/330141740.db2.gz RJNHGVSFTXJEMH-ZIAGYGMSSA-N 1 1 269.389 -0.229 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCCO2)C[C@H]1C ZINC000172220340 335097973 /nfs/dbraw/zinc/09/79/73/335097973.db2.gz UFJPGMTWHCFJLL-OLZOCXBDSA-N 1 1 286.372 -0.029 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCCO2)C[C@H]1C ZINC000172220340 335097974 /nfs/dbraw/zinc/09/79/74/335097974.db2.gz UFJPGMTWHCFJLL-OLZOCXBDSA-N 1 1 286.372 -0.029 10 0 CBAEMO COCCOCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174315762 335152574 /nfs/dbraw/zinc/15/25/74/335152574.db2.gz ZMHTZTSPOSCHSB-QWHCGFSZSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000252692816 334385626 /nfs/dbraw/zinc/38/56/26/334385626.db2.gz WZAJSIRSSCEILB-QWRGUYRKSA-N 1 1 279.406 -0.382 10 0 CBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000177137453 335367008 /nfs/dbraw/zinc/36/70/08/335367008.db2.gz CSPLRZCSAONGHI-QWRGUYRKSA-N 1 1 291.417 -0.229 10 0 CBAEMO CCOC(=O)N1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000387438799 336193863 /nfs/dbraw/zinc/19/38/63/336193863.db2.gz RCIFCUVNPUZRIM-UHFFFAOYSA-N 1 1 269.305 -0.198 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050671984 521649847 /nfs/dbraw/zinc/64/98/47/521649847.db2.gz UKNHMYJZHYOWAY-VIFPVBQESA-N 1 1 285.373 -0.179 10 0 CBAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050671984 521649852 /nfs/dbraw/zinc/64/98/52/521649852.db2.gz UKNHMYJZHYOWAY-VIFPVBQESA-N 1 1 285.373 -0.179 10 0 CBAEMO COC(=O)N1CC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000178750489 533908671 /nfs/dbraw/zinc/90/86/71/533908671.db2.gz IMVOPAVKOUDPOJ-NSHDSACASA-N 1 1 282.344 -0.073 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050671985 521625129 /nfs/dbraw/zinc/62/51/29/521625129.db2.gz UKNHMYJZHYOWAY-SECBINFHSA-N 1 1 285.373 -0.179 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050671985 521625134 /nfs/dbraw/zinc/62/51/34/521625134.db2.gz UKNHMYJZHYOWAY-SECBINFHSA-N 1 1 285.373 -0.179 10 0 CBAEMO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)C(=O)NCC)C1=O ZINC000049199922 521699638 /nfs/dbraw/zinc/69/96/38/521699638.db2.gz OOSPJSJEAPMFCM-RKDXNWHRSA-N 1 1 255.318 -0.362 10 0 CBAEMO COc1cc(F)ccc1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000049569937 522610960 /nfs/dbraw/zinc/61/09/60/522610960.db2.gz AAMRNTNLIANFBK-SSDOTTSWSA-N 1 1 255.249 -0.025 10 0 CBAEMO CNc1ncc(S(=O)(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000050631629 522700474 /nfs/dbraw/zinc/70/04/74/522700474.db2.gz LENIZDCRFKCNBS-UHFFFAOYSA-N 1 1 285.373 -0.156 10 0 CBAEMO CNc1ncc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cn1 ZINC000050631629 522700482 /nfs/dbraw/zinc/70/04/82/522700482.db2.gz LENIZDCRFKCNBS-UHFFFAOYSA-N 1 1 285.373 -0.156 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085690 523901861 /nfs/dbraw/zinc/90/18/61/523901861.db2.gz XGCZEKOWNVJENR-QWHCGFSZSA-N 1 1 268.405 -0.133 10 0 CBAEMO CC[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000055078046 523949763 /nfs/dbraw/zinc/94/97/63/523949763.db2.gz XDUCUPQWZJKCPP-SRVKXCTJSA-N 1 1 255.362 -0.348 10 0 CBAEMO C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CC(=O)[O-])CC2)C1 ZINC000061125794 523976144 /nfs/dbraw/zinc/97/61/44/523976144.db2.gz GRFYNMGBFLESNE-NSHDSACASA-N 1 1 269.345 -0.443 10 0 CBAEMO C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CC(=O)[O-])CC2)C1 ZINC000061125794 523976150 /nfs/dbraw/zinc/97/61/50/523976150.db2.gz GRFYNMGBFLESNE-NSHDSACASA-N 1 1 269.345 -0.443 10 0 CBAEMO C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)C1 ZINC000061125794 523976152 /nfs/dbraw/zinc/97/61/52/523976152.db2.gz GRFYNMGBFLESNE-NSHDSACASA-N 1 1 269.345 -0.443 10 0 CBAEMO CN1CC[C@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631372 523988861 /nfs/dbraw/zinc/98/88/61/523988861.db2.gz UICQDJOXYBGSMT-QWRGUYRKSA-N 1 1 261.391 -0.248 10 0 CBAEMO Cc1csc(=O)n1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367013725 534774287 /nfs/dbraw/zinc/77/42/87/534774287.db2.gz BFIRPIJGGKIHCM-LBPRGKRZSA-N 1 1 285.369 -0.470 10 0 CBAEMO Cn1ccnc1C[NH2+]C[C@]1(CO)C[C@@H](O)[C@@H](O)C1 ZINC000107430796 534790506 /nfs/dbraw/zinc/79/05/06/534790506.db2.gz AZJZUUKYYHYTPV-IAZYJMLFSA-N 1 1 255.318 -0.996 10 0 CBAEMO C[C@@H](C[NH+]1CCCC1)NCC(=O)N1CCOCC1 ZINC000049180402 524592107 /nfs/dbraw/zinc/59/21/07/524592107.db2.gz GLMCKWOYPYZXDF-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC(N)=O ZINC000049565221 525570395 /nfs/dbraw/zinc/57/03/95/525570395.db2.gz RJHULEGSFQODJV-IVZWLZJFSA-N 1 1 254.334 -0.214 10 0 CBAEMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)C(=O)NC(N)=O ZINC000049565221 525570400 /nfs/dbraw/zinc/57/04/00/525570400.db2.gz RJHULEGSFQODJV-IVZWLZJFSA-N 1 1 254.334 -0.214 10 0 CBAEMO C[C@H](O)c1ccccc1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000049547278 525860459 /nfs/dbraw/zinc/86/04/59/525860459.db2.gz VYCIFZUSIXKGIC-IONNQARKSA-N 1 1 251.286 -0.119 10 0 CBAEMO O=C(CN[C@@H]1CC[N@@H+]2CCC[C@H]12)N1CCOCC1 ZINC000049568365 526889605 /nfs/dbraw/zinc/88/96/05/526889605.db2.gz ZQYAFQMVYZSSFU-VXGBXAGGSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(CN[C@@H]1CC[N@H+]2CCC[C@H]12)N1CCOCC1 ZINC000049568365 526889609 /nfs/dbraw/zinc/88/96/09/526889609.db2.gz ZQYAFQMVYZSSFU-VXGBXAGGSA-N 1 1 253.346 -0.329 10 0 CBAEMO [NH3+]CCCCN1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000062775074 527175934 /nfs/dbraw/zinc/17/59/34/527175934.db2.gz DDPKNTLGQMDCJJ-UHFFFAOYSA-N 1 1 251.334 -0.094 10 0 CBAEMO [NH3+]CCCCN1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000062775074 527175945 /nfs/dbraw/zinc/17/59/45/527175945.db2.gz DDPKNTLGQMDCJJ-UHFFFAOYSA-N 1 1 251.334 -0.094 10 0 CBAEMO O=c1cc(C[N@H+]2CC[C@H](O)C2)nc2scnn21 ZINC000061708961 527480146 /nfs/dbraw/zinc/48/01/46/527480146.db2.gz BSECNUSGOICNCW-QMMMGPOBSA-N 1 1 252.299 -0.282 10 0 CBAEMO O=c1cc(C[N@@H+]2CC[C@H](O)C2)nc2scnn21 ZINC000061708961 527480151 /nfs/dbraw/zinc/48/01/51/527480151.db2.gz BSECNUSGOICNCW-QMMMGPOBSA-N 1 1 252.299 -0.282 10 0 CBAEMO O=C(OCC[NH+]1CCSCC1)[C@H]1CNC(=O)C1 ZINC000127558197 582121928 /nfs/dbraw/zinc/12/19/28/582121928.db2.gz FFWRVPXXBUNBPD-SECBINFHSA-N 1 1 258.343 -0.286 10 0 CBAEMO C([C@H]1CNCCO1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000216598971 582127867 /nfs/dbraw/zinc/12/78/67/582127867.db2.gz UKHSGAHMSXUQNL-QWHCGFSZSA-N 1 1 255.362 -0.619 10 0 CBAEMO C[N@H+]1CCC[C@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)CC1 ZINC000757217231 582305328 /nfs/dbraw/zinc/30/53/28/582305328.db2.gz JBVRAFNPXFNLCZ-MWLCHTKSSA-N 1 1 276.358 -0.308 10 0 CBAEMO C[N@H+]1CCC[C@@]2(CC(=O)O[C@@H]2CS(N)(=O)=O)CC1 ZINC000757217230 582305342 /nfs/dbraw/zinc/30/53/42/582305342.db2.gz JBVRAFNPXFNLCZ-KOLCDFICSA-N 1 1 276.358 -0.308 10 0 CBAEMO CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1c1cn(C)nn1 ZINC000886072026 584430753 /nfs/dbraw/zinc/43/07/53/584430753.db2.gz YPZINXDROCVDQI-WCQYABFASA-N 1 1 293.371 -0.150 10 0 CBAEMO CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1c1cn(C)nn1 ZINC000886072026 584430755 /nfs/dbraw/zinc/43/07/55/584430755.db2.gz YPZINXDROCVDQI-WCQYABFASA-N 1 1 293.371 -0.150 10 0 CBAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CC(N)=O)C1 ZINC000886077743 584430763 /nfs/dbraw/zinc/43/07/63/584430763.db2.gz DQRNSGFQOMASQT-MXWKQRLJSA-N 1 1 269.345 -0.380 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](O)C(C)(C)C ZINC000901071941 584845085 /nfs/dbraw/zinc/84/50/85/584845085.db2.gz KVZGXVZSZWREQP-NRUUGDAUSA-N 1 1 258.362 -0.035 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000037622733 656002666 /nfs/dbraw/zinc/00/26/66/656002666.db2.gz BQFLCXMMYNHKCG-QMMMGPOBSA-N 1 1 253.327 -0.165 10 0 CBAEMO C[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCO2 ZINC000037628042 656003217 /nfs/dbraw/zinc/00/32/17/656003217.db2.gz YKVCUFLZOGBWFH-APPZFPTMSA-N 1 1 279.296 -0.205 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000049578142 656020092 /nfs/dbraw/zinc/02/00/92/656020092.db2.gz YOSMRVBUCLNFFR-VIFPVBQESA-N 1 1 257.240 -0.216 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cnc(N)nc1 ZINC000071193071 656041605 /nfs/dbraw/zinc/04/16/05/656041605.db2.gz JJBIGRATODKKNG-VIFPVBQESA-N 1 1 285.373 -0.369 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1C ZINC000094996833 656062022 /nfs/dbraw/zinc/06/20/22/656062022.db2.gz ZYVZPWYAJZYPLL-IUCAKERBSA-N 1 1 269.301 -0.721 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC000094996617 656062042 /nfs/dbraw/zinc/06/20/42/656062042.db2.gz FFRLBVOXGXSFMM-ZJUUUORDSA-N 1 1 268.313 -0.124 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC000095020031 656062813 /nfs/dbraw/zinc/06/28/13/656062813.db2.gz ITQQTOREXCRXQB-ZJUUUORDSA-N 1 1 255.318 -0.248 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1C ZINC000095020032 656063039 /nfs/dbraw/zinc/06/30/39/656063039.db2.gz ITQQTOREXCRXQB-UWVGGRQHSA-N 1 1 255.318 -0.248 10 0 CBAEMO CC[C@H]1CN(C(=O)C[NH2+]CCOC)CCN1C[C@@H](C)O ZINC000168012481 656081563 /nfs/dbraw/zinc/08/15/63/656081563.db2.gz GYGLKMFMAZRNEI-OLZOCXBDSA-N 1 1 287.404 -0.474 10 0 CBAEMO COC(=O)c1cn(CN2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000172503152 656084520 /nfs/dbraw/zinc/08/45/20/656084520.db2.gz UNKQAQKYVBYVCW-SNVBAGLBSA-N 1 1 265.317 -0.198 10 0 CBAEMO S=C1OCCN1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961454 656085176 /nfs/dbraw/zinc/08/51/76/656085176.db2.gz DDDJDLVLJIVLMU-NSHDSACASA-N 1 1 271.386 -0.033 10 0 CBAEMO S=C1OCCN1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172961454 656085179 /nfs/dbraw/zinc/08/51/79/656085179.db2.gz DDDJDLVLJIVLMU-NSHDSACASA-N 1 1 271.386 -0.033 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=COCCO2)C[C@H]1C ZINC000174302849 656085841 /nfs/dbraw/zinc/08/58/41/656085841.db2.gz QLEVWXICVOSGAI-GHMZBOCLSA-N 1 1 270.329 -0.212 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=COCCO2)C[C@H]1C ZINC000174302849 656085844 /nfs/dbraw/zinc/08/58/44/656085844.db2.gz QLEVWXICVOSGAI-GHMZBOCLSA-N 1 1 270.329 -0.212 10 0 CBAEMO CCS(=O)(=O)CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173925903 656085876 /nfs/dbraw/zinc/08/58/76/656085876.db2.gz JVZNAMKYKOOZPY-LBPRGKRZSA-N 1 1 276.402 -0.172 10 0 CBAEMO CCS(=O)(=O)CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173925903 656085878 /nfs/dbraw/zinc/08/58/78/656085878.db2.gz JVZNAMKYKOOZPY-LBPRGKRZSA-N 1 1 276.402 -0.172 10 0 CBAEMO Cc1nc([C@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)CCO2)n[nH]1 ZINC000178847405 656089244 /nfs/dbraw/zinc/08/92/44/656089244.db2.gz LBZMCZBKVVNIOE-BXKDBHETSA-N 1 1 283.307 -0.285 10 0 CBAEMO COCC[N@H+]1CCN(CN2C[C@H](OC)CC2=O)C[C@@H]1C ZINC000189136445 656097664 /nfs/dbraw/zinc/09/76/64/656097664.db2.gz CLQZAUWMIAUDAJ-QWHCGFSZSA-N 1 1 285.388 -0.156 10 0 CBAEMO Nc1cnc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cn1 ZINC000231299682 656113336 /nfs/dbraw/zinc/11/33/36/656113336.db2.gz JLWDRIBJGQXMHH-LBPRGKRZSA-N 1 1 263.345 -0.035 10 0 CBAEMO Nc1cnc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cn1 ZINC000231299682 656113338 /nfs/dbraw/zinc/11/33/38/656113338.db2.gz JLWDRIBJGQXMHH-LBPRGKRZSA-N 1 1 263.345 -0.035 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000245723160 656118500 /nfs/dbraw/zinc/11/85/00/656118500.db2.gz HVHJWMJSPIIGPR-IUCAKERBSA-N 1 1 268.317 -0.095 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000245723160 656118503 /nfs/dbraw/zinc/11/85/03/656118503.db2.gz HVHJWMJSPIIGPR-IUCAKERBSA-N 1 1 268.317 -0.095 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000247137365 656119641 /nfs/dbraw/zinc/11/96/41/656119641.db2.gz KTTPYLMAXRLUPP-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000247137365 656119644 /nfs/dbraw/zinc/11/96/44/656119644.db2.gz KTTPYLMAXRLUPP-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO Nc1ncc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250779782 656121933 /nfs/dbraw/zinc/12/19/33/656121933.db2.gz RCGZVEBQGGPWCH-VIFPVBQESA-N 1 1 283.357 -0.473 10 0 CBAEMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000251763433 656122520 /nfs/dbraw/zinc/12/25/20/656122520.db2.gz LYJOVXDEYNNBQU-XLPZGREQSA-N 1 1 257.290 -0.689 10 0 CBAEMO C[NH2+][C@@H](C)CNS(=O)(=O)c1scnc1C(=O)OC ZINC000261615548 656125434 /nfs/dbraw/zinc/12/54/34/656125434.db2.gz AWDXJMGMDVQBMK-LURJTMIESA-N 1 1 293.370 -0.184 10 0 CBAEMO CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261932140 656128185 /nfs/dbraw/zinc/12/81/85/656128185.db2.gz LSSURJPVXDJRCB-MXWKQRLJSA-N 1 1 284.360 -0.717 10 0 CBAEMO C[C@@H]1C[C@@H](NC(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C ZINC000262313455 656130992 /nfs/dbraw/zinc/13/09/92/656130992.db2.gz QOVNAEHMLINZLW-WYUUTHIRSA-N 1 1 255.362 -0.038 10 0 CBAEMO CCOC(=O)/C=C/C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310946669 656144982 /nfs/dbraw/zinc/14/49/82/656144982.db2.gz XUHICDKSRBKEPL-PYEVWLCESA-N 1 1 256.302 -0.582 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000713971964 656214640 /nfs/dbraw/zinc/21/46/40/656214640.db2.gz VIKNAPRSRDOXLC-MRVPVSSYSA-N 1 1 266.363 -0.758 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(N)=O)C[C@@H]1C ZINC000906816647 656402440 /nfs/dbraw/zinc/40/24/40/656402440.db2.gz UVMVCRZNAOWTAK-UWVGGRQHSA-N 1 1 257.334 -0.835 10 0 CBAEMO COCC(=O)NC1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000907506802 656516272 /nfs/dbraw/zinc/51/62/72/656516272.db2.gz SRTLKFSODRYDBL-QWHCGFSZSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000929576425 659144199 /nfs/dbraw/zinc/14/41/99/659144199.db2.gz SMEOMGKQQZDINZ-SDDRHHMPSA-N 1 1 255.318 -0.674 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000929576425 659144206 /nfs/dbraw/zinc/14/42/06/659144206.db2.gz SMEOMGKQQZDINZ-SDDRHHMPSA-N 1 1 255.318 -0.674 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000929648031 659156280 /nfs/dbraw/zinc/15/62/80/659156280.db2.gz MANKCEHZZCJFIC-SDDRHHMPSA-N 1 1 254.334 -0.268 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000929811867 659176612 /nfs/dbraw/zinc/17/66/12/659176612.db2.gz DRQLQZRCKDJHCN-MROQNXINSA-N 1 1 258.362 -0.619 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000930398627 659276880 /nfs/dbraw/zinc/27/68/80/659276880.db2.gz XYDLVMQJDFFOHW-ZDEQEGDKSA-N 1 1 286.372 -0.560 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000930773448 659339032 /nfs/dbraw/zinc/33/90/32/659339032.db2.gz DXYJLIPZHVVSIA-GVXVVHGQSA-N 1 1 274.361 -0.967 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931116656 659385539 /nfs/dbraw/zinc/38/55/39/659385539.db2.gz IERXLBUXJYYUNQ-SNVBAGLBSA-N 1 1 292.343 -0.142 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931116656 659385543 /nfs/dbraw/zinc/38/55/43/659385543.db2.gz IERXLBUXJYYUNQ-SNVBAGLBSA-N 1 1 292.343 -0.142 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nnn(C)n1 ZINC000932268979 659593671 /nfs/dbraw/zinc/59/36/71/659593671.db2.gz GHPSYCYIUDWEGD-RKDXNWHRSA-N 1 1 265.321 -0.090 10 0 CBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2[N@@H+]1C ZINC000097971525 529911159 /nfs/dbraw/zinc/91/11/59/529911159.db2.gz JZSBWBMWPBGIBG-ZMLRMANQSA-N 1 1 289.339 -0.633 10 0 CBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2[N@H+]1C ZINC000097971525 529911161 /nfs/dbraw/zinc/91/11/61/529911161.db2.gz JZSBWBMWPBGIBG-ZMLRMANQSA-N 1 1 289.339 -0.633 10 0 CBAEMO CC1(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000573723749 334959659 /nfs/dbraw/zinc/95/96/59/334959659.db2.gz ZHTLUKFUUQKRPE-ZJUUUORDSA-N 1 1 260.359 -0.069 10 0 CBAEMO COCCN1CC[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105833778 186076905 /nfs/dbraw/zinc/07/69/05/186076905.db2.gz AEFDLOLVFIBBOL-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@@H+]1CCN(CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105833778 186076907 /nfs/dbraw/zinc/07/69/07/186076907.db2.gz AEFDLOLVFIBBOL-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@H+]1CCN(CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105833778 186076909 /nfs/dbraw/zinc/07/69/09/186076909.db2.gz AEFDLOLVFIBBOL-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO C[C@@H]1CN(C[C@@H](O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000108342372 186212626 /nfs/dbraw/zinc/21/26/26/186212626.db2.gz LJXXNDVKVYIXCQ-XQQFMLRXSA-N 1 1 257.378 -0.638 10 0 CBAEMO COc1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c(OC)c1 ZINC000109554877 186262639 /nfs/dbraw/zinc/26/26/39/186262639.db2.gz BYRFYOXIVSIEBD-SNVBAGLBSA-N 1 1 281.312 -0.477 10 0 CBAEMO CCC[C@H](C(=O)N1CCN(C(=O)CN(C)C)CC1)[NH+](C)C ZINC000135022560 282719674 /nfs/dbraw/zinc/71/96/74/282719674.db2.gz XZTOSMJOLCMGMP-CYBMUJFWSA-N 1 1 298.431 -0.051 10 0 CBAEMO C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c1nc[nH+]c2N ZINC000003988127 351315679 /nfs/dbraw/zinc/31/56/79/351315679.db2.gz IRZRJANZDIOOIF-VNOQCFOKSA-N 1 1 280.284 -0.985 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310001 186706305 /nfs/dbraw/zinc/70/63/05/186706305.db2.gz VJXLQPHTNMICBJ-NSHDSACASA-N 1 1 294.355 -0.111 10 0 CBAEMO C[NH+](C)C[C@@]1(O)CCN(c2ncc3nc[nH]c3n2)C1 ZINC000072429523 351646523 /nfs/dbraw/zinc/64/65/23/351646523.db2.gz DNUPXJDYEVEPFH-LBPRGKRZSA-N 1 1 262.317 -0.144 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079515987 351693288 /nfs/dbraw/zinc/69/32/88/351693288.db2.gz KJYIUPYWBLBNJV-CYBMUJFWSA-N 1 1 254.378 -0.508 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000080440642 351698385 /nfs/dbraw/zinc/69/83/85/351698385.db2.gz YMCKWYWVPMQMHQ-NEPJUHHUSA-N 1 1 255.362 -0.394 10 0 CBAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC000075639002 351669620 /nfs/dbraw/zinc/66/96/20/351669620.db2.gz PIKAWANILRHDOU-SECBINFHSA-N 1 1 263.363 -0.782 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCN(Cc2cccnc2)CC1 ZINC000088370942 351724161 /nfs/dbraw/zinc/72/41/61/351724161.db2.gz ZKKLAEAFWZURFB-CQSZACIVSA-N 1 1 290.367 -0.286 10 0 CBAEMO Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F ZINC000097974245 351779767 /nfs/dbraw/zinc/77/97/67/351779767.db2.gz HEMKLVZUSCWYFZ-FBSDJGSXSA-N 1 1 268.248 -0.398 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@H]1C ZINC000105823990 351791766 /nfs/dbraw/zinc/79/17/66/351791766.db2.gz FLZIOVATTROXIH-NXEZZACHSA-N 1 1 299.400 -0.137 10 0 CBAEMO CC[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105825687 351791910 /nfs/dbraw/zinc/79/19/10/351791910.db2.gz AODWDPLDJWUDIB-VXGBXAGGSA-N 1 1 298.387 -0.685 10 0 CBAEMO COCCCNC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000105913642 351792859 /nfs/dbraw/zinc/79/28/59/351792859.db2.gz VHZZAJKOAIOJGF-ZDUSSCGKSA-N 1 1 287.404 -0.208 10 0 CBAEMO COCCCNC(=O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000105913642 351792863 /nfs/dbraw/zinc/79/28/63/351792863.db2.gz VHZZAJKOAIOJGF-ZDUSSCGKSA-N 1 1 287.404 -0.208 10 0 CBAEMO COCC[N@H+]1CCN(C[C@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000111690400 351804997 /nfs/dbraw/zinc/80/49/97/351804997.db2.gz KBUCNIXASOICIF-KBPBESRZSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000111690400 351804999 /nfs/dbraw/zinc/80/49/99/351804999.db2.gz KBUCNIXASOICIF-KBPBESRZSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1C ZINC000111690400 351805002 /nfs/dbraw/zinc/80/50/02/351805002.db2.gz KBUCNIXASOICIF-KBPBESRZSA-N 1 1 299.415 -0.378 10 0 CBAEMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000111684029 351805047 /nfs/dbraw/zinc/80/50/47/351805047.db2.gz ZLQVZEHOPIHRJH-QWRGUYRKSA-N 1 1 272.345 -0.289 10 0 CBAEMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCNCC1 ZINC000094460791 351764676 /nfs/dbraw/zinc/76/46/76/351764676.db2.gz RWBGPDDCDZJVNP-UONOGXRCSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCNCC1 ZINC000094460791 351764678 /nfs/dbraw/zinc/76/46/78/351764678.db2.gz RWBGPDDCDZJVNP-UONOGXRCSA-N 1 1 280.416 -0.023 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994853 351824575 /nfs/dbraw/zinc/82/45/75/351824575.db2.gz MTVRNRAPLULADL-WDEREUQCSA-N 1 1 294.417 -0.214 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994855 351825272 /nfs/dbraw/zinc/82/52/72/351825272.db2.gz MTVRNRAPLULADL-QWRGUYRKSA-N 1 1 294.417 -0.214 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000122190406 187020122 /nfs/dbraw/zinc/02/01/22/187020122.db2.gz XJRFBRHLMIKOOZ-JTQLQIEISA-N 1 1 279.344 -0.041 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000127233681 351863098 /nfs/dbraw/zinc/86/30/98/351863098.db2.gz HULHIGLBNDCYNY-UWVGGRQHSA-N 1 1 282.344 -0.473 10 0 CBAEMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)C[NH+]1CCOCC1 ZINC000150717863 351931515 /nfs/dbraw/zinc/93/15/15/351931515.db2.gz NZFGBARQYKAZAT-QWRGUYRKSA-N 1 1 269.345 -0.793 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)N2CCOCC2)C1 ZINC000134705043 351909045 /nfs/dbraw/zinc/90/90/45/351909045.db2.gz DVMKGLKMESFWHX-NSHDSACASA-N 1 1 257.334 -0.251 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)N2CCOCC2)C1 ZINC000134705043 351909048 /nfs/dbraw/zinc/90/90/48/351909048.db2.gz DVMKGLKMESFWHX-NSHDSACASA-N 1 1 257.334 -0.251 10 0 CBAEMO Cc1cc(Br)cn(C[C@H]([NH3+])C(N)=O)c1=O ZINC000156909645 351953805 /nfs/dbraw/zinc/95/38/05/351953805.db2.gz RQTUHPFHHZYRMV-ZETCQYMHSA-N 1 1 274.118 -0.268 10 0 CBAEMO CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000157549800 351956402 /nfs/dbraw/zinc/95/64/02/351956402.db2.gz LWKZDXUCIVTYIQ-LBPRGKRZSA-N 1 1 285.388 -0.326 10 0 CBAEMO COC(=O)CCNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171642277 352014585 /nfs/dbraw/zinc/01/45/85/352014585.db2.gz FXKJGQOGCSDVJT-LLVKDONJSA-N 1 1 269.345 -0.554 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000159649715 351965082 /nfs/dbraw/zinc/96/50/82/351965082.db2.gz AYHHUEFNIHZYAU-MRVPVSSYSA-N 1 1 273.314 -0.603 10 0 CBAEMO NS(=O)(=O)CCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000171549190 352012205 /nfs/dbraw/zinc/01/22/05/352012205.db2.gz KPQAZEVXPDRDQF-UHFFFAOYSA-N 1 1 299.400 -0.333 10 0 CBAEMO C[C@](O)(C[NH+]1CCN(CC(N)=O)CC1)c1ccccc1 ZINC000171646930 352014662 /nfs/dbraw/zinc/01/46/62/352014662.db2.gz VNOOYNLQKVMZEQ-HNNXBMFYSA-N 1 1 277.368 -0.003 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000163842802 351983642 /nfs/dbraw/zinc/98/36/42/351983642.db2.gz JEMYJJFGKICPMR-NWDGAFQWSA-N 1 1 298.387 -0.421 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000163842802 351983646 /nfs/dbraw/zinc/98/36/46/351983646.db2.gz JEMYJJFGKICPMR-NWDGAFQWSA-N 1 1 298.387 -0.421 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171607520 352013778 /nfs/dbraw/zinc/01/37/78/352013778.db2.gz MIWXMVHYCBWCKT-NSHDSACASA-N 1 1 295.343 -0.441 10 0 CBAEMO O[C@H](Cn1cccn1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171633721 352013872 /nfs/dbraw/zinc/01/38/72/352013872.db2.gz CHRZENIRWCLEGP-KBPBESRZSA-N 1 1 291.355 -0.159 10 0 CBAEMO O[C@H](Cn1cccn1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171633721 352013875 /nfs/dbraw/zinc/01/38/75/352013875.db2.gz CHRZENIRWCLEGP-KBPBESRZSA-N 1 1 291.355 -0.159 10 0 CBAEMO CN1CC(=O)N(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000171585042 352013949 /nfs/dbraw/zinc/01/39/49/352013949.db2.gz POARFVZNSINRPT-SNVBAGLBSA-N 1 1 280.328 -0.813 10 0 CBAEMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NCC1CC1 ZINC000173928179 352042049 /nfs/dbraw/zinc/04/20/49/352042049.db2.gz YELFVEIIHVTXBR-ZDUSSCGKSA-N 1 1 267.373 -0.081 10 0 CBAEMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)NCC1CC1 ZINC000173928179 352042051 /nfs/dbraw/zinc/04/20/51/352042051.db2.gz YELFVEIIHVTXBR-ZDUSSCGKSA-N 1 1 267.373 -0.081 10 0 CBAEMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000173850222 352042534 /nfs/dbraw/zinc/04/25/34/352042534.db2.gz VZPFBJYHAUNMOP-GHMZBOCLSA-N 1 1 284.360 -0.776 10 0 CBAEMO CCCNC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943948 352043118 /nfs/dbraw/zinc/04/31/18/352043118.db2.gz GHWSYLRJOPNJCE-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO CCCNC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943948 352043121 /nfs/dbraw/zinc/04/31/21/352043121.db2.gz GHWSYLRJOPNJCE-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO CCCNC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943937 352043516 /nfs/dbraw/zinc/04/35/16/352043516.db2.gz GHWSYLRJOPNJCE-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO CCCNC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943937 352043518 /nfs/dbraw/zinc/04/35/18/352043518.db2.gz GHWSYLRJOPNJCE-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO O=C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173931556 352043632 /nfs/dbraw/zinc/04/36/32/352043632.db2.gz DMVHWTQZNZXBBU-AWEZNQCLSA-N 1 1 297.399 -0.358 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000174291723 352045751 /nfs/dbraw/zinc/04/57/51/352045751.db2.gz MMTJOCWYCRUFEW-WDEREUQCSA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000174291723 352045752 /nfs/dbraw/zinc/04/57/52/352045752.db2.gz MMTJOCWYCRUFEW-WDEREUQCSA-N 1 1 296.371 -0.492 10 0 CBAEMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000174663538 352049869 /nfs/dbraw/zinc/04/98/69/352049869.db2.gz ZPNQRGLKVGOBSB-JTQLQIEISA-N 1 1 294.355 -0.377 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnnn1 ZINC000175009777 352053392 /nfs/dbraw/zinc/05/33/92/352053392.db2.gz ZDBBIGKQYBQFKM-GHMZBOCLSA-N 1 1 264.333 -0.242 10 0 CBAEMO CCOCCNC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175984988 352062055 /nfs/dbraw/zinc/06/20/55/352062055.db2.gz BPRHLDSIZAIVJW-ZDUSSCGKSA-N 1 1 285.388 -0.454 10 0 CBAEMO CCOCCNC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175984988 352062060 /nfs/dbraw/zinc/06/20/60/352062060.db2.gz BPRHLDSIZAIVJW-ZDUSSCGKSA-N 1 1 285.388 -0.454 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC000177232270 352071051 /nfs/dbraw/zinc/07/10/51/352071051.db2.gz CHYJWXFVEHHZNJ-NEPJUHHUSA-N 1 1 255.362 -0.273 10 0 CBAEMO CCc1nnc(CN(C)C[C@H](O)C[NH+]2CCOCC2)n1C ZINC000177360393 352072717 /nfs/dbraw/zinc/07/27/17/352072717.db2.gz GMCHFJSNYDDLRM-LBPRGKRZSA-N 1 1 297.403 -0.498 10 0 CBAEMO O=C1CCC(=O)N1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171639655 352014910 /nfs/dbraw/zinc/01/49/10/352014910.db2.gz GKCRPIKPAFIQGC-LLVKDONJSA-N 1 1 251.330 -0.085 10 0 CBAEMO CC(=O)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171643008 352014937 /nfs/dbraw/zinc/01/49/37/352014937.db2.gz LVEGRXXTBIJBDX-CQSZACIVSA-N 1 1 294.399 -0.543 10 0 CBAEMO CC[C@@H]1CN(C[C@H](O)COC)CC[N@H+]1C[C@@H](C)O ZINC000171973303 352018742 /nfs/dbraw/zinc/01/87/42/352018742.db2.gz YIUXKRRDARKJTD-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@H+](C[C@H](O)COC)CCN1C[C@@H](C)O ZINC000171973303 352018745 /nfs/dbraw/zinc/01/87/45/352018745.db2.gz YIUXKRRDARKJTD-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COC)CCN1C[C@@H](C)O ZINC000171973303 352018748 /nfs/dbraw/zinc/01/87/48/352018748.db2.gz YIUXKRRDARKJTD-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000171973257 352019362 /nfs/dbraw/zinc/01/93/62/352019362.db2.gz MCDQDSPNLLIWKV-LBPRGKRZSA-N 1 1 266.345 -0.004 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000172081439 352021432 /nfs/dbraw/zinc/02/14/32/352021432.db2.gz CLBALCSSKMRASY-NWDGAFQWSA-N 1 1 292.383 -0.248 10 0 CBAEMO COCCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177297242 352073160 /nfs/dbraw/zinc/07/31/60/352073160.db2.gz OXYZQPKOBSUNEY-RYUDHWBXSA-N 1 1 271.361 -0.005 10 0 CBAEMO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC000173643720 352038954 /nfs/dbraw/zinc/03/89/54/352038954.db2.gz HAEYKFLRQQELAM-LLVKDONJSA-N 1 1 252.318 -0.259 10 0 CBAEMO CC[N@@H+](CCNC(=O)N1CC(NC(=O)COC)C1)C1CC1 ZINC000185330511 352118271 /nfs/dbraw/zinc/11/82/71/352118271.db2.gz KHUWMECOCJTFHB-UHFFFAOYSA-N 1 1 298.387 -0.373 10 0 CBAEMO COCC(=O)NC1CN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000185374040 352119697 /nfs/dbraw/zinc/11/96/97/352119697.db2.gz CBONZRGJVAIZDQ-JTQLQIEISA-N 1 1 298.387 -0.375 10 0 CBAEMO Cn1nccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178881244 352084910 /nfs/dbraw/zinc/08/49/10/352084910.db2.gz ZLSCGGUZBJQZNV-SNVBAGLBSA-N 1 1 277.328 -0.335 10 0 CBAEMO CNC(=O)[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000179126713 352087696 /nfs/dbraw/zinc/08/76/96/352087696.db2.gz OWECUGZKWQOAKR-NXEZZACHSA-N 1 1 257.334 -0.796 10 0 CBAEMO CNC(=O)[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000179126713 352087698 /nfs/dbraw/zinc/08/76/98/352087698.db2.gz OWECUGZKWQOAKR-NXEZZACHSA-N 1 1 257.334 -0.796 10 0 CBAEMO NC(=O)NC(=O)OCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000180482786 352094850 /nfs/dbraw/zinc/09/48/50/352094850.db2.gz XAGRSGYQDBBUQS-JTQLQIEISA-N 1 1 270.333 -0.039 10 0 CBAEMO CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184716913 352113291 /nfs/dbraw/zinc/11/32/91/352113291.db2.gz IDQCJVBAJHZZBQ-QJPTWQEYSA-N 1 1 258.362 -0.035 10 0 CBAEMO OC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000185158683 352116025 /nfs/dbraw/zinc/11/60/25/352116025.db2.gz IGSLXFCWNFJQNK-KFWWJZLASA-N 1 1 281.352 -0.008 10 0 CBAEMO Cn1cc(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000195188641 352222373 /nfs/dbraw/zinc/22/23/73/352222373.db2.gz ZWYUYNGJZUXJAQ-NSHDSACASA-N 1 1 262.313 -0.091 10 0 CBAEMO O=C(C[N@@H+]1CC[C@H](CCO)C1)NC(=O)NC1CC1 ZINC000227572297 352258036 /nfs/dbraw/zinc/25/80/36/352258036.db2.gz ZGCXSGFXKGQHLK-SECBINFHSA-N 1 1 255.318 -0.321 10 0 CBAEMO O=C(C[N@@H+]1CC[C@H](CCO)C1)NC[C@@H]1CCCO1 ZINC000227576553 352258366 /nfs/dbraw/zinc/25/83/66/352258366.db2.gz ZUVCAFXPLJMUFY-NEPJUHHUSA-N 1 1 256.346 -0.014 10 0 CBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000227569637 352258422 /nfs/dbraw/zinc/25/84/22/352258422.db2.gz HRRLQZJGKZONKS-CYBMUJFWSA-N 1 1 283.372 -0.619 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000224055340 352244409 /nfs/dbraw/zinc/24/44/09/352244409.db2.gz YINYADCIYMNJFS-VHSXEESVSA-N 1 1 257.334 -0.523 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000236918763 352296229 /nfs/dbraw/zinc/29/62/29/352296229.db2.gz LMZVXVSXPHDKIY-NEPJUHHUSA-N 1 1 256.394 -0.134 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@@H]1C ZINC000248414246 352351212 /nfs/dbraw/zinc/35/12/12/352351212.db2.gz GUTNSUQKTOVMKV-RYUDHWBXSA-N 1 1 280.372 -0.124 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248663481 352354711 /nfs/dbraw/zinc/35/47/11/352354711.db2.gz ZRAUHMACJAOHOO-VXGBXAGGSA-N 1 1 294.417 -0.213 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000245526985 352321504 /nfs/dbraw/zinc/32/15/04/352321504.db2.gz PQHAXNAINBXCBH-RYUDHWBXSA-N 1 1 293.371 -0.333 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000245603299 352322821 /nfs/dbraw/zinc/32/28/21/352322821.db2.gz LJMARBCVCQHIFE-MNOVXSKESA-N 1 1 279.344 -0.723 10 0 CBAEMO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000245721333 352323515 /nfs/dbraw/zinc/32/35/15/352323515.db2.gz RFIGMJQORGILBK-UTUOFQBUSA-N 1 1 256.346 -0.328 10 0 CBAEMO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000245721333 352323518 /nfs/dbraw/zinc/32/35/18/352323518.db2.gz RFIGMJQORGILBK-UTUOFQBUSA-N 1 1 256.346 -0.328 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000245720409 352324294 /nfs/dbraw/zinc/32/42/94/352324294.db2.gz AOLNECXRMMWPLD-VWYCJHECSA-N 1 1 294.355 -0.330 10 0 CBAEMO CCS(=O)(=O)NCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000246039282 352327764 /nfs/dbraw/zinc/32/77/64/352327764.db2.gz RAAQEMYNEXDIFO-NSHDSACASA-N 1 1 261.391 -0.294 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246309710 352331785 /nfs/dbraw/zinc/33/17/85/352331785.db2.gz CKHGXHQOTXKXDQ-NEPJUHHUSA-N 1 1 298.387 -0.515 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1N1CCOCC1 ZINC000246364677 352332015 /nfs/dbraw/zinc/33/20/15/352332015.db2.gz GZCJWKFIFJRXIB-WCQYABFASA-N 1 1 267.373 -0.083 10 0 CBAEMO C[C@H]1CN(Cc2ncnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000246464144 352334269 /nfs/dbraw/zinc/33/42/69/352334269.db2.gz NPMFOWHSNQENKR-NWDGAFQWSA-N 1 1 265.361 -0.032 10 0 CBAEMO COC(=O)CNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246783178 352338310 /nfs/dbraw/zinc/33/83/10/352338310.db2.gz BGJAMEGZQSXMPI-MNOVXSKESA-N 1 1 269.345 -0.556 10 0 CBAEMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247015091 352341183 /nfs/dbraw/zinc/34/11/83/352341183.db2.gz OUAXACCZOAJUFE-UONOGXRCSA-N 1 1 299.415 -0.066 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000247231286 352345117 /nfs/dbraw/zinc/34/51/17/352345117.db2.gz MSNRWNHOSVQXMS-RYUDHWBXSA-N 1 1 280.372 -0.887 10 0 CBAEMO CNC(=O)NC(=O)CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000247209810 352345158 /nfs/dbraw/zinc/34/51/58/352345158.db2.gz PQZRKKZMKCNAAP-JTQLQIEISA-N 1 1 254.334 -0.388 10 0 CBAEMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247371689 352345895 /nfs/dbraw/zinc/34/58/95/352345895.db2.gz RZFSFDLJXFIJDK-GHMZBOCLSA-N 1 1 271.361 -0.716 10 0 CBAEMO O[C@@H](CN1CCOCC1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247377988 352346105 /nfs/dbraw/zinc/34/61/05/352346105.db2.gz VOGAEJIKFYZFHW-KBPBESRZSA-N 1 1 269.389 -0.541 10 0 CBAEMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247659800 352348298 /nfs/dbraw/zinc/34/82/98/352348298.db2.gz ZLQVZEHOPIHRJH-WDEREUQCSA-N 1 1 272.345 -0.289 10 0 CBAEMO COC(=O)CNC(=O)CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000247586924 352348354 /nfs/dbraw/zinc/34/83/54/352348354.db2.gz MLLMTYPZKWPCSE-NSHDSACASA-N 1 1 269.345 -0.554 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNC(=O)C1CC1 ZINC000261884015 352399532 /nfs/dbraw/zinc/39/95/32/352399532.db2.gz FRMWDUNKCBZGKT-SCZZXKLOSA-N 1 1 255.318 -0.994 10 0 CBAEMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CCO)C1 ZINC000252895032 352380908 /nfs/dbraw/zinc/38/09/08/352380908.db2.gz XWIUPHKZNZYKJQ-NXEZZACHSA-N 1 1 257.334 -0.075 10 0 CBAEMO Cn1c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261769766 352396020 /nfs/dbraw/zinc/39/60/20/352396020.db2.gz OQRXFAHSNRFDSV-MVWJERBFSA-N 1 1 278.356 -0.747 10 0 CBAEMO COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261816679 352397755 /nfs/dbraw/zinc/39/77/55/352397755.db2.gz HRNJATJSQJFHCV-CYBMUJFWSA-N 1 1 287.404 -0.175 10 0 CBAEMO CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CCN1C[C@@H](C)O ZINC000261851604 352399061 /nfs/dbraw/zinc/39/90/61/352399061.db2.gz MJZPZMAXWVXCLY-OLZOCXBDSA-N 1 1 299.415 -0.202 10 0 CBAEMO COC[C@H](N)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000262172991 352409424 /nfs/dbraw/zinc/40/94/24/352409424.db2.gz AWHDBNALRLAYLV-LBPRGKRZSA-N 1 1 294.355 -0.288 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000262251955 352412240 /nfs/dbraw/zinc/41/22/40/352412240.db2.gz LPBMIQHQHLBIQN-DGAVXFQQSA-N 1 1 299.415 -0.333 10 0 CBAEMO COC[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000262293355 352414647 /nfs/dbraw/zinc/41/46/47/352414647.db2.gz NDUULIPNGWNAPB-LBPRGKRZSA-N 1 1 255.362 -0.049 10 0 CBAEMO CC(C)OCCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262302064 352415783 /nfs/dbraw/zinc/41/57/83/352415783.db2.gz PSKPNKYBPFVFAN-KGLIPLIRSA-N 1 1 299.415 -0.068 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@H]1C ZINC000262321274 352416124 /nfs/dbraw/zinc/41/61/24/352416124.db2.gz RHYSWIOPBUGMDI-XQHKEYJVSA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@H]1C ZINC000262321274 352416126 /nfs/dbraw/zinc/41/61/26/352416126.db2.gz RHYSWIOPBUGMDI-XQHKEYJVSA-N 1 1 285.388 -0.723 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262479180 352423029 /nfs/dbraw/zinc/42/30/29/352423029.db2.gz ZGAVDKJITQWGML-CYBMUJFWSA-N 1 1 286.420 -0.650 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262580265 352426083 /nfs/dbraw/zinc/42/60/83/352426083.db2.gz UJDJQPINSYUGJS-GARJFASQSA-N 1 1 292.401 -0.226 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000262583149 352426113 /nfs/dbraw/zinc/42/61/13/352426113.db2.gz UVQUOUAXKDEBGR-PSASIEDQSA-N 1 1 278.374 -0.616 10 0 CBAEMO CCc1nc(CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)no1 ZINC000261955609 352402350 /nfs/dbraw/zinc/40/23/50/352402350.db2.gz OVDIZRLGNGTQBS-KCJUWKMLSA-N 1 1 268.317 -0.332 10 0 CBAEMO C[C@@H](Cn1cncn1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262033256 352404283 /nfs/dbraw/zinc/40/42/83/352404283.db2.gz XSCDYKGDIVPXIS-AEJSXWLSSA-N 1 1 253.306 -0.840 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000286324182 352641698 /nfs/dbraw/zinc/64/16/98/352641698.db2.gz WCLSGJHTJMQROR-AWEZNQCLSA-N 1 1 277.324 -0.063 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000286324182 352641705 /nfs/dbraw/zinc/64/17/05/352641705.db2.gz WCLSGJHTJMQROR-AWEZNQCLSA-N 1 1 277.324 -0.063 10 0 CBAEMO CC(C)CNC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299752968 352728789 /nfs/dbraw/zinc/72/87/89/352728789.db2.gz WGJWTVCCRMQRGP-JQWIXIFHSA-N 1 1 285.388 -0.295 10 0 CBAEMO OCCC[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000303971047 352744879 /nfs/dbraw/zinc/74/48/79/352744879.db2.gz DBBABPODRMHXPA-KGLIPLIRSA-N 1 1 272.389 -0.084 10 0 CBAEMO O=C1CN[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000306198107 352752381 /nfs/dbraw/zinc/75/23/81/352752381.db2.gz VFNCYEMBWMNFDR-CQSZACIVSA-N 1 1 259.309 -0.123 10 0 CBAEMO Cc1nnsc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310169919 352757870 /nfs/dbraw/zinc/75/78/70/352757870.db2.gz TUNCJVVJGBQPCH-JTQLQIEISA-N 1 1 256.331 -0.341 10 0 CBAEMO Cc1nnsc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310169919 352757873 /nfs/dbraw/zinc/75/78/73/352757873.db2.gz TUNCJVVJGBQPCH-JTQLQIEISA-N 1 1 256.331 -0.341 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000311635112 352769508 /nfs/dbraw/zinc/76/95/08/352769508.db2.gz PWLQFUYOGSQKJR-ZDUSSCGKSA-N 1 1 269.345 -0.643 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000311635112 352769510 /nfs/dbraw/zinc/76/95/10/352769510.db2.gz PWLQFUYOGSQKJR-ZDUSSCGKSA-N 1 1 269.345 -0.643 10 0 CBAEMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](CCO)C1 ZINC000336717083 353049812 /nfs/dbraw/zinc/04/98/12/353049812.db2.gz XRDPUCXMHNSGKC-LLVKDONJSA-N 1 1 264.391 -0.028 10 0 CBAEMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336793905 353054145 /nfs/dbraw/zinc/05/41/45/353054145.db2.gz YWAZPSHQCLXNNO-ZYHUDNBSSA-N 1 1 260.334 -0.916 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000175039315 137634894 /nfs/dbraw/zinc/63/48/94/137634894.db2.gz QNAOXHJIXVEGFG-CHWSQXEVSA-N 1 1 294.399 -0.497 10 0 CBAEMO CC(C)CCOCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185157768 137651552 /nfs/dbraw/zinc/65/15/52/137651552.db2.gz XECZLFALUNIMRB-CHWSQXEVSA-N 1 1 288.388 -0.407 10 0 CBAEMO CC(C)CCOCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185157768 137651553 /nfs/dbraw/zinc/65/15/53/137651553.db2.gz XECZLFALUNIMRB-CHWSQXEVSA-N 1 1 288.388 -0.407 10 0 CBAEMO CO[C@H]1C[C@@H](C[N@@H+](C)CCC(=O)N2CCOCC2)N(C)C1 ZINC000345153143 353312794 /nfs/dbraw/zinc/31/27/94/353312794.db2.gz UEUGQYJICYGAJQ-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)CCC(=O)N2CCOCC2)[N@H+](C)C1 ZINC000345153143 353312796 /nfs/dbraw/zinc/31/27/96/353312796.db2.gz UEUGQYJICYGAJQ-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)CCC(=O)N2CCOCC2)[N@@H+](C)C1 ZINC000345153143 353312798 /nfs/dbraw/zinc/31/27/98/353312798.db2.gz UEUGQYJICYGAJQ-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000352371490 353482472 /nfs/dbraw/zinc/48/24/72/353482472.db2.gz JGTHBPKKWURAGR-GWCFXTLKSA-N 1 1 272.345 -0.114 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCC[C@@H]1O ZINC000352660166 353500102 /nfs/dbraw/zinc/50/01/02/353500102.db2.gz MYEJUSKRKQLSOZ-XQQFMLRXSA-N 1 1 258.362 -0.475 10 0 CBAEMO COc1c(CNC[C@]2(O)CC[N@@H+](C)C2)c(C)nn1C ZINC000358154821 353629886 /nfs/dbraw/zinc/62/98/86/353629886.db2.gz DZYXXFOMTSDMSR-CYBMUJFWSA-N 1 1 268.361 -0.107 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@H]12 ZINC000383583491 353785758 /nfs/dbraw/zinc/78/57/58/353785758.db2.gz MLXGZOONKFVJAF-HRDYMLBCSA-N 1 1 256.331 -0.233 10 0 CBAEMO CS(=O)(=O)N1CC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000400203204 353800362 /nfs/dbraw/zinc/80/03/62/353800362.db2.gz PKAVLODHXQAXDY-WDEREUQCSA-N 1 1 261.391 -0.391 10 0 CBAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000401748840 353803672 /nfs/dbraw/zinc/80/36/72/353803672.db2.gz PBZFHEXSIICKSU-UTUOFQBUSA-N 1 1 256.346 -0.016 10 0 CBAEMO O=S(=O)(CC1CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404198454 353805920 /nfs/dbraw/zinc/80/59/20/353805920.db2.gz OKCNJCUURGWPKN-MNOVXSKESA-N 1 1 260.359 -0.211 10 0 CBAEMO COCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404207900 353806548 /nfs/dbraw/zinc/80/65/48/353806548.db2.gz TXVSSPMDGHWAIH-VHSXEESVSA-N 1 1 264.347 -0.975 10 0 CBAEMO O=S(=O)(C[C@@H]1CCCO1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404218727 353806641 /nfs/dbraw/zinc/80/66/41/353806641.db2.gz ZRLWEGQCLXUYHQ-SDDRHHMPSA-N 1 1 290.385 -0.442 10 0 CBAEMO Cn1nccc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404210908 353806672 /nfs/dbraw/zinc/80/66/72/353806672.db2.gz VIZNCZVRLMBSAQ-UWVGGRQHSA-N 1 1 286.357 -0.829 10 0 CBAEMO COC(=O)CN(CC(=O)OC)C[C@@H]1CCC[N@H+]1C ZINC000387372933 353788927 /nfs/dbraw/zinc/78/89/27/353788927.db2.gz IKLYQJWFVHLZFV-JTQLQIEISA-N 1 1 258.318 -0.271 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000556726331 354681257 /nfs/dbraw/zinc/68/12/57/354681257.db2.gz IRLHRRRTKPTOCL-AAEUAGOBSA-N 1 1 272.345 -0.506 10 0 CBAEMO CC[NH+](CC)C1=C(C)NNC1(C(=O)OC)C(=O)OC ZINC000584659846 355034750 /nfs/dbraw/zinc/03/47/50/355034750.db2.gz YOWKRBRTFLAXDP-SECBINFHSA-N 1 1 271.317 -0.239 10 0 CBAEMO COC(=O)[C@](C)(O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000588960268 355064045 /nfs/dbraw/zinc/06/40/45/355064045.db2.gz VLHMNCUOAHJBGO-ZYHUDNBSSA-N 1 1 260.334 -0.827 10 0 CBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)C3(O)CCOCC3)[C@H]2C1 ZINC000329191188 283084545 /nfs/dbraw/zinc/08/45/45/283084545.db2.gz QKKVUMUTBFPWBQ-RYUDHWBXSA-N 1 1 284.356 -0.541 10 0 CBAEMO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000593911852 355228950 /nfs/dbraw/zinc/22/89/50/355228950.db2.gz OCDGBYNBZPQCNJ-ZJUUUORDSA-N 1 1 256.302 -0.614 10 0 CBAEMO CNc1ccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616603498 356102180 /nfs/dbraw/zinc/10/21/80/356102180.db2.gz XLDKRQIPILSVII-NSHDSACASA-N 1 1 270.358 -0.122 10 0 CBAEMO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1CO ZINC000616604694 356102722 /nfs/dbraw/zinc/10/27/22/356102722.db2.gz MLZXCSODDCRCQW-JTQLQIEISA-N 1 1 256.327 -0.359 10 0 CBAEMO CC(=O)Nc1ccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616638864 356104415 /nfs/dbraw/zinc/10/44/15/356104415.db2.gz JOOKGVYBRXDNTP-GFCCVEGCSA-N 1 1 298.368 -0.205 10 0 CBAEMO C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC1=O ZINC000638109022 357419582 /nfs/dbraw/zinc/41/95/82/357419582.db2.gz QWPXJBDSLDECRD-NWDGAFQWSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CNCCO1 ZINC000638106635 357419746 /nfs/dbraw/zinc/41/97/46/357419746.db2.gz COPBUYKLGCQUOF-AAEUAGOBSA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CNCCO1 ZINC000638106635 357419748 /nfs/dbraw/zinc/41/97/48/357419748.db2.gz COPBUYKLGCQUOF-AAEUAGOBSA-N 1 1 253.346 -0.329 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638535085 357493428 /nfs/dbraw/zinc/49/34/28/357493428.db2.gz BASKNRUMDHWGTR-HRDYMLBCSA-N 1 1 257.359 -0.314 10 0 CBAEMO C[C@H]1C[N@H+](C2CCN(Cc3nc(=O)n(C)[nH]3)CC2)CCO1 ZINC000329291007 202269320 /nfs/dbraw/zinc/26/93/20/202269320.db2.gz QPQLYTZEXBLYOZ-NSHDSACASA-N 1 1 295.387 -0.207 10 0 CBAEMO C[C@@H]1CN(C(=O)c2cnn3ccncc23)CC[N@@H+]1CCO ZINC000329475898 202353105 /nfs/dbraw/zinc/35/31/05/202353105.db2.gz BIHGVTFFNMYIDY-LLVKDONJSA-N 1 1 289.339 -0.132 10 0 CBAEMO C[C@@H]1CN(C(=O)c2cnn3ccncc23)CC[N@H+]1CCO ZINC000329475898 202353106 /nfs/dbraw/zinc/35/31/06/202353106.db2.gz BIHGVTFFNMYIDY-LLVKDONJSA-N 1 1 289.339 -0.132 10 0 CBAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC000178285609 189102988 /nfs/dbraw/zinc/10/29/88/189102988.db2.gz SIPAQGKKISDDPK-SNVBAGLBSA-N 1 1 265.317 -0.149 10 0 CBAEMO COC[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000127428335 372795236 /nfs/dbraw/zinc/79/52/36/372795236.db2.gz ZSQLMMNZFTWQPE-XQQFMLRXSA-N 1 1 258.362 -0.354 10 0 CBAEMO C[C@@H]1C(=O)NCCCN1CCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189293252 372853238 /nfs/dbraw/zinc/85/32/38/372853238.db2.gz WBMONBVWIVMUCH-BETUJISGSA-N 1 1 296.415 -0.203 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@H+]1CCCN1CCCNC(=O)[C@@H]1C ZINC000189293252 372853243 /nfs/dbraw/zinc/85/32/43/372853243.db2.gz WBMONBVWIVMUCH-BETUJISGSA-N 1 1 296.415 -0.203 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCN1CCCNC(=O)[C@@H]1C ZINC000189293252 372853245 /nfs/dbraw/zinc/85/32/45/372853245.db2.gz WBMONBVWIVMUCH-BETUJISGSA-N 1 1 296.415 -0.203 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000344670212 217270057 /nfs/dbraw/zinc/27/00/57/217270057.db2.gz CWCQKFFGOYOQHY-NXEZZACHSA-N 1 1 256.302 -0.783 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CCN2CCCC2=O)C[C@@H]1C ZINC000247375847 372886286 /nfs/dbraw/zinc/88/62/86/372886286.db2.gz VFTVCTQNLJEOPK-STQMWFEESA-N 1 1 269.389 -0.004 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000344670215 217270180 /nfs/dbraw/zinc/27/01/80/217270180.db2.gz CWCQKFFGOYOQHY-ZJUUUORDSA-N 1 1 256.302 -0.783 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NCc2ccco2)C1 ZINC000344903952 217351621 /nfs/dbraw/zinc/35/16/21/217351621.db2.gz ZMDYUWYPSKLRRA-ZYHUDNBSSA-N 1 1 268.313 -0.023 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000344903952 217351623 /nfs/dbraw/zinc/35/16/23/217351623.db2.gz ZMDYUWYPSKLRRA-ZYHUDNBSSA-N 1 1 268.313 -0.023 10 0 CBAEMO CCO[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000644428848 374563345 /nfs/dbraw/zinc/56/33/45/374563345.db2.gz DFUDXJYGIYJALO-STQMWFEESA-N 1 1 272.345 -0.635 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1[nH]nc2c1CCCC2 ZINC000647041561 374871839 /nfs/dbraw/zinc/87/18/39/374871839.db2.gz POUXKKIJOFTRIS-LDYMZIIASA-N 1 1 264.329 -0.401 10 0 CBAEMO C[NH2+][C@@H](C(=O)NCC(C)(C)C(=O)OC)c1cnn(C)c1 ZINC000262355888 190053706 /nfs/dbraw/zinc/05/37/06/190053706.db2.gz GUZCXRDKLGQAEE-SNVBAGLBSA-N 1 1 282.344 -0.004 10 0 CBAEMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247186731 289244028 /nfs/dbraw/zinc/24/40/28/289244028.db2.gz SJJCEOLYXMUVQI-VXGBXAGGSA-N 1 1 255.362 -0.130 10 0 CBAEMO CCS(=O)(=O)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000118398592 286606606 /nfs/dbraw/zinc/60/66/06/286606606.db2.gz AAVGNCIDMXBZJV-LLVKDONJSA-N 1 1 264.391 -0.317 10 0 CBAEMO C[C@H](Cc1cccs1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037628230 173578942 /nfs/dbraw/zinc/57/89/42/173578942.db2.gz ZTGOPZRGSOGAEG-APPZFPTMSA-N 1 1 255.343 -0.002 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000038037949 174038500 /nfs/dbraw/zinc/03/85/00/174038500.db2.gz NEQYFNQGISAUCI-ZETCQYMHSA-N 1 1 251.290 -0.281 10 0 CBAEMO COc1ncnc(OC)c1C[NH2+]C[C@@H]1COCCO1 ZINC000038060824 174071297 /nfs/dbraw/zinc/07/12/97/174071297.db2.gz CZNZGUMCXRVQDJ-SECBINFHSA-N 1 1 269.301 -0.001 10 0 CBAEMO CCCN(CC(=O)N(C)C)C(=O)[C@H]1CSC[NH2+]1 ZINC000038101092 174116005 /nfs/dbraw/zinc/11/60/05/174116005.db2.gz TZVWBGUSRBDOMB-SECBINFHSA-N 1 1 259.375 -0.024 10 0 CBAEMO COC(=O)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000038101784 174117867 /nfs/dbraw/zinc/11/78/67/174117867.db2.gz KFTMRSMMYNSBFX-QMMMGPOBSA-N 1 1 259.331 -0.441 10 0 CBAEMO C[NH+](C)CCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000040168363 174199112 /nfs/dbraw/zinc/19/91/12/174199112.db2.gz NZKBBRURIPCJCE-JTQLQIEISA-N 1 1 264.347 -0.149 10 0 CBAEMO C[NH+](C)CCOC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040168359 174199172 /nfs/dbraw/zinc/19/91/72/174199172.db2.gz OKHCYHBBEQELHU-MRVPVSSYSA-N 1 1 250.320 -0.539 10 0 CBAEMO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1=O ZINC000042562278 174797543 /nfs/dbraw/zinc/79/75/43/174797543.db2.gz GEGFUJSUYJHKNP-HRDYMLBCSA-N 1 1 255.318 -0.364 10 0 CBAEMO CCOC1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000044365075 175167766 /nfs/dbraw/zinc/16/77/66/175167766.db2.gz HTRJFNUGIAZFEO-UHFFFAOYSA-N 1 1 255.362 -0.081 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c[nH]nc1N ZINC000071188291 176063139 /nfs/dbraw/zinc/06/31/39/176063139.db2.gz FZAMLVYACLAYAQ-MRVPVSSYSA-N 1 1 273.362 -0.436 10 0 CBAEMO OCC[N@H+]1CCCN(c2cncc3nnnn32)CC1 ZINC000071349543 176132405 /nfs/dbraw/zinc/13/24/05/176132405.db2.gz OBMXKQMYKSCQBY-UHFFFAOYSA-N 1 1 263.305 -0.976 10 0 CBAEMO CC[C@H](C)NC(=O)CN1CCC[N@@H+](CCO)CC1 ZINC000071350005 176133745 /nfs/dbraw/zinc/13/37/45/176133745.db2.gz APQAUHFUJOVDNL-LBPRGKRZSA-N 1 1 257.378 -0.099 10 0 CBAEMO O=C(CN1CCC[N@H+](CCO)CC1)N1CCCC1=O ZINC000071349952 176133960 /nfs/dbraw/zinc/13/39/60/176133960.db2.gz DOFMAPYPKWYOMC-UHFFFAOYSA-N 1 1 269.345 -0.865 10 0 CBAEMO [NH3+]CC[C@@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000071582803 176207577 /nfs/dbraw/zinc/20/75/77/176207577.db2.gz YDWGAQWEXZJGSH-OLZOCXBDSA-N 1 1 257.378 -0.507 10 0 CBAEMO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1COCC[NH2+]1 ZINC000088371642 544433368 /nfs/dbraw/zinc/43/33/68/544433368.db2.gz SAOUMTLZFCXKAF-QWRGUYRKSA-N 1 1 278.308 -0.069 10 0 CBAEMO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1COCC[NH2+]1 ZINC000088371643 544433682 /nfs/dbraw/zinc/43/36/82/544433682.db2.gz SAOUMTLZFCXKAF-MNOVXSKESA-N 1 1 278.308 -0.069 10 0 CBAEMO CN1CCO[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000091667249 544439467 /nfs/dbraw/zinc/43/94/67/544439467.db2.gz AINJDIFRZQJGIU-JTQLQIEISA-N 1 1 289.357 -0.653 10 0 CBAEMO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000157979440 544474090 /nfs/dbraw/zinc/47/40/90/544474090.db2.gz KJPOIUGJHNRLHU-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000245433610 544510844 /nfs/dbraw/zinc/51/08/44/544510844.db2.gz QGLQLAISXUREJN-QWRGUYRKSA-N 1 1 296.371 -0.083 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000247522637 544511719 /nfs/dbraw/zinc/51/17/19/544511719.db2.gz ZEXLMPCETIZKFF-OUAUKWLOSA-N 1 1 296.371 -0.181 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250361951 544513592 /nfs/dbraw/zinc/51/35/92/544513592.db2.gz CYRGMYFGQWIAQN-UPJWGTAASA-N 1 1 268.405 -0.277 10 0 CBAEMO O=C(Cc1[nH]nc2ccccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262210769 544518845 /nfs/dbraw/zinc/51/88/45/544518845.db2.gz ITTHBQZKSIGCOT-TVQRCGJNSA-N 1 1 274.324 -0.198 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037750134 419411144 /nfs/dbraw/zinc/41/11/44/419411144.db2.gz AOKUQUHBQDLRQQ-RNFRBKRXSA-N 1 1 267.251 -0.010 10 0 CBAEMO CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037819932 419413646 /nfs/dbraw/zinc/41/36/46/419413646.db2.gz WXQVVGQMCYMSAB-NSHDSACASA-N 1 1 298.387 -0.561 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(C)=O)C1 ZINC000194129650 419548307 /nfs/dbraw/zinc/54/83/07/419548307.db2.gz BLHBKIHPEQQRCD-LLVKDONJSA-N 1 1 256.350 -0.094 10 0 CBAEMO Cc1cc(CO)cc(N2CCC[C@@](O)(C(N)=O)C2)[nH+]1 ZINC000388983738 544576840 /nfs/dbraw/zinc/57/68/40/544576840.db2.gz ZMSPXERQSDKFSZ-ZDUSSCGKSA-N 1 1 265.313 -0.301 10 0 CBAEMO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173947890 419505060 /nfs/dbraw/zinc/50/50/60/419505060.db2.gz FDDHDWGCKZPOFS-CYBMUJFWSA-N 1 1 283.372 -0.748 10 0 CBAEMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(F)(F)CN1 ZINC000662906278 419766594 /nfs/dbraw/zinc/76/65/94/419766594.db2.gz LMQWDBUTAMONON-QWRGUYRKSA-N 1 1 288.342 -0.510 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000344891980 419775940 /nfs/dbraw/zinc/77/59/40/419775940.db2.gz HXHYOCKOMWWEQC-GHMZBOCLSA-N 1 1 283.328 0.393 10 0 CBAEMO O=C([C@@H]1C[NH2+]CCOC1)N1CCN(CC2CC2)CC1 ZINC000649299366 419870137 /nfs/dbraw/zinc/87/01/37/419870137.db2.gz NLXHEKGRZHDSQN-CYBMUJFWSA-N 1 1 267.373 -0.223 10 0 CBAEMO COC[C@@]1(C(=O)N[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649304897 419872095 /nfs/dbraw/zinc/87/20/95/419872095.db2.gz LYHWBWULRYNRFE-DGCLKSJQSA-N 1 1 255.362 -0.035 10 0 CBAEMO COc1c(N)[nH+]cnc1N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000664270702 419896945 /nfs/dbraw/zinc/89/69/45/419896945.db2.gz HTLNVIDWDMHSKC-NKWVEPMBSA-N 1 1 288.329 -0.709 10 0 CBAEMO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)[nH]1 ZINC000669322634 544746899 /nfs/dbraw/zinc/74/68/99/544746899.db2.gz YIULSTIUWIPWCL-ZYHUDNBSSA-N 1 1 293.371 -0.165 10 0 CBAEMO Cc1cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)nn1C ZINC000671556096 544821858 /nfs/dbraw/zinc/82/18/58/544821858.db2.gz BGGWKOMPSXJZPL-GFCCVEGCSA-N 1 1 252.318 -0.459 10 0 CBAEMO Cc1cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)nn1C ZINC000671556096 544821862 /nfs/dbraw/zinc/82/18/62/544821862.db2.gz BGGWKOMPSXJZPL-GFCCVEGCSA-N 1 1 252.318 -0.459 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671605088 544825018 /nfs/dbraw/zinc/82/50/18/544825018.db2.gz RSJFSUBGPPVCMN-YPMHNXCESA-N 1 1 279.344 -0.664 10 0 CBAEMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000366947883 420098092 /nfs/dbraw/zinc/09/80/92/420098092.db2.gz VHCSPQBUVAOSLY-MFKMUULPSA-N 1 1 271.361 -0.446 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000367039747 420099096 /nfs/dbraw/zinc/09/90/96/420099096.db2.gz ZZSXIHOPSIFHER-KBPBESRZSA-N 1 1 294.399 -0.497 10 0 CBAEMO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000367039748 420099350 /nfs/dbraw/zinc/09/93/50/420099350.db2.gz ZZSXIHOPSIFHER-KGLIPLIRSA-N 1 1 294.399 -0.497 10 0 CBAEMO CC(C)O[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000404661095 420226461 /nfs/dbraw/zinc/22/64/61/420226461.db2.gz WNWFEICVDDBOSZ-UWVGGRQHSA-N 1 1 257.334 -0.395 10 0 CBAEMO CCCCOC[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405238661 420226969 /nfs/dbraw/zinc/22/69/69/420226969.db2.gz GJLYODNGQWSHIT-BFHYXJOUSA-N 1 1 272.389 -0.085 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000398764904 420217471 /nfs/dbraw/zinc/21/74/71/420217471.db2.gz BNXNVSUAQIYXOH-MELADBBJSA-N 1 1 281.400 -0.147 10 0 CBAEMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399104625 420217723 /nfs/dbraw/zinc/21/77/23/420217723.db2.gz VNEFYNOFWCJOOS-HBNTYKKESA-N 1 1 269.345 -0.075 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CCNC(=O)C1 ZINC000175332908 276182499 /nfs/dbraw/zinc/18/24/99/276182499.db2.gz HUATUIORSSSIQI-LBPRGKRZSA-N 1 1 282.388 -0.639 10 0 CBAEMO CS(=O)(=O)c1cnn(-c2nnc(C[NH3+])s2)c1 ZINC000725242318 545082910 /nfs/dbraw/zinc/08/29/10/545082910.db2.gz TUHUFEXYCYYLRF-UHFFFAOYSA-N 1 1 259.316 -0.414 10 0 CBAEMO C[C@H]1CN(C(=O)CN(C)C)CC2(CC[NH2+]CC2)O1 ZINC000725272322 545083864 /nfs/dbraw/zinc/08/38/64/545083864.db2.gz OVHRXNAOIVMKGL-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@@H]1C[C@H](NC(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C ZINC000262313449 278023369 /nfs/dbraw/zinc/02/33/69/278023369.db2.gz QOVNAEHMLINZLW-KKOKHZNYSA-N 1 1 255.362 -0.038 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000262281433 288007928 /nfs/dbraw/zinc/00/79/28/288007928.db2.gz NYLDWPKMZFHWDT-SYQHCUMBSA-N 1 1 297.399 -0.458 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248583016 278114475 /nfs/dbraw/zinc/11/44/75/278114475.db2.gz FQSKXJKPPXZTRL-QWRGUYRKSA-N 1 1 286.376 -0.781 10 0 CBAEMO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373173017 278365036 /nfs/dbraw/zinc/36/50/36/278365036.db2.gz KXPJNRDWPKVBMZ-BDAKNGLRSA-N 1 1 273.333 -0.962 10 0 CBAEMO CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373173017 278365037 /nfs/dbraw/zinc/36/50/37/278365037.db2.gz KXPJNRDWPKVBMZ-BDAKNGLRSA-N 1 1 273.333 -0.962 10 0 CBAEMO CCN(CC)C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367490504 279068789 /nfs/dbraw/zinc/06/87/89/279068789.db2.gz UGJBUYIVPKULHQ-LBPRGKRZSA-N 1 1 257.334 -0.833 10 0 CBAEMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000186311213 279275596 /nfs/dbraw/zinc/27/55/96/279275596.db2.gz RLDGUSAKYFEGCG-LBPRGKRZSA-N 1 1 283.372 -0.166 10 0 CBAEMO CC(C)N(C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1)C(C)C ZINC000312598335 279280257 /nfs/dbraw/zinc/28/02/57/279280257.db2.gz FKPGNQOUMXIRMB-CQSZACIVSA-N 1 1 285.388 -0.056 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000262245235 280057699 /nfs/dbraw/zinc/05/76/99/280057699.db2.gz LDIGQDKBCBQPTD-SKDRFNHKSA-N 1 1 267.329 -0.804 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261572240 280104587 /nfs/dbraw/zinc/10/45/87/280104587.db2.gz LPBYSSIIXALXHA-CBAPKCEASA-N 1 1 268.235 -0.500 10 0 CBAEMO CC[C@H]1CN(CC(=O)N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000105825216 281161170 /nfs/dbraw/zinc/16/11/70/281161170.db2.gz XNARNMGKCRZCGW-NEPJUHHUSA-N 1 1 257.378 -0.148 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@@H]1C ZINC000248604306 290094603 /nfs/dbraw/zinc/09/46/03/290094603.db2.gz JPNYNXIBGRJGDI-QWRGUYRKSA-N 1 1 286.376 -0.829 10 0 CBAEMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000157164317 290138736 /nfs/dbraw/zinc/13/87/36/290138736.db2.gz JVDUPSAQDPUAKG-XQQFMLRXSA-N 1 1 286.372 -0.559 10 0 CBAEMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000157164317 290138738 /nfs/dbraw/zinc/13/87/38/290138738.db2.gz JVDUPSAQDPUAKG-XQQFMLRXSA-N 1 1 286.372 -0.559 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000262287554 293117412 /nfs/dbraw/zinc/11/74/12/293117412.db2.gz YBJRVNVEKUOUHD-GARJFASQSA-N 1 1 290.385 -0.472 10 0 CBAEMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000127428113 293178038 /nfs/dbraw/zinc/17/80/38/293178038.db2.gz ZSQLMMNZFTWQPE-UPJWGTAASA-N 1 1 258.362 -0.354 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCNS(C)(=O)=O ZINC000113267850 297096342 /nfs/dbraw/zinc/09/63/42/297096342.db2.gz JXBWNVMYSHFBOY-GHMZBOCLSA-N 1 1 261.391 -0.296 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)NC(N)=O ZINC000113268073 297096217 /nfs/dbraw/zinc/09/62/17/297096217.db2.gz IQBYASRSUWUBMG-NXEZZACHSA-N 1 1 254.334 -0.260 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000261870232 300604572 /nfs/dbraw/zinc/60/45/72/300604572.db2.gz DBUKCENQWQGGKY-MDZLAQPJSA-N 1 1 283.372 -0.133 10 0 CBAEMO COCCOCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174315747 335152527 /nfs/dbraw/zinc/15/25/27/335152527.db2.gz ZMHTZTSPOSCHSB-CHWSQXEVSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000252692817 334385643 /nfs/dbraw/zinc/38/56/43/334385643.db2.gz WZAJSIRSSCEILB-WDEREUQCSA-N 1 1 279.406 -0.382 10 0 CBAEMO CCNc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cn1 ZINC000050673579 520371599 /nfs/dbraw/zinc/37/15/99/520371599.db2.gz ADMBFSYYHSOVSF-VIFPVBQESA-N 1 1 285.373 -0.109 10 0 CBAEMO CCNc1ncc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cn1 ZINC000050673579 520371610 /nfs/dbraw/zinc/37/16/10/520371610.db2.gz ADMBFSYYHSOVSF-VIFPVBQESA-N 1 1 285.373 -0.109 10 0 CBAEMO CC[C@@H](C)N1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000055078169 522108861 /nfs/dbraw/zinc/10/88/61/522108861.db2.gz AZFADADHCXFVLB-CYBMUJFWSA-N 1 1 268.405 -0.166 10 0 CBAEMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)NCC(N)=S)CC1 ZINC000055080345 522110364 /nfs/dbraw/zinc/11/03/64/522110364.db2.gz STJSIKVSIPKXHW-SECBINFHSA-N 1 1 286.401 -0.669 10 0 CBAEMO CO[C@H]1C[NH2+][C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000049575479 524009357 /nfs/dbraw/zinc/00/93/57/524009357.db2.gz JDSJHEIAHMGIEB-VXGBXAGGSA-N 1 1 255.362 -0.035 10 0 CBAEMO CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)C[NH+]1CCCC1 ZINC000049164962 524077786 /nfs/dbraw/zinc/07/77/86/524077786.db2.gz HJTPNILFMVBZEE-VHSXEESVSA-N 1 1 256.350 -0.096 10 0 CBAEMO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000049559720 524470193 /nfs/dbraw/zinc/47/01/93/524470193.db2.gz KLGMUBJBTREQNA-UWVGGRQHSA-N 1 1 279.406 -0.795 10 0 CBAEMO O=C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]12)N1CCOCC1 ZINC000049568366 526889336 /nfs/dbraw/zinc/88/93/36/526889336.db2.gz ZQYAFQMVYZSSFU-NEPJUHHUSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(CN[C@@H]1CC[N@H+]2CCC[C@@H]12)N1CCOCC1 ZINC000049568366 526889342 /nfs/dbraw/zinc/88/93/42/526889342.db2.gz ZQYAFQMVYZSSFU-NEPJUHHUSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(CN[C@H]1CC[N@@H+]2CCC[C@H]12)N1CCOCC1 ZINC000049568368 526892306 /nfs/dbraw/zinc/89/23/06/526892306.db2.gz ZQYAFQMVYZSSFU-NWDGAFQWSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(CN[C@H]1CC[N@H+]2CCC[C@H]12)N1CCOCC1 ZINC000049568368 526892312 /nfs/dbraw/zinc/89/23/12/526892312.db2.gz ZQYAFQMVYZSSFU-NWDGAFQWSA-N 1 1 253.346 -0.329 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)Cn1ncn(C)c1=O ZINC000133397270 582124486 /nfs/dbraw/zinc/12/44/86/582124486.db2.gz NIXQJYMFCWATJP-NSHDSACASA-N 1 1 253.350 -0.045 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccn(C)c(=O)n2)O1 ZINC000892320583 584615205 /nfs/dbraw/zinc/61/52/05/584615205.db2.gz TYPKVWKKIURIBA-RKDXNWHRSA-N 1 1 266.301 -0.728 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccn(C)c(=O)n2)O1 ZINC000892320583 584615207 /nfs/dbraw/zinc/61/52/07/584615207.db2.gz TYPKVWKKIURIBA-RKDXNWHRSA-N 1 1 266.301 -0.728 10 0 CBAEMO Cc1n[nH]nc1NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000898745434 584741357 /nfs/dbraw/zinc/74/13/57/584741357.db2.gz RTHRQFOAEVSPAH-IUCAKERBSA-N 1 1 251.290 -0.085 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)O)CC[N@H+]1C[C@H](C)O ZINC000900866344 584830743 /nfs/dbraw/zinc/83/07/43/584830743.db2.gz FFHQAARUPHMEEK-TUAOUCFPSA-N 1 1 288.388 -0.578 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)O)CC[N@H+]1C[C@@H](C)O ZINC000900866342 584830822 /nfs/dbraw/zinc/83/08/22/584830822.db2.gz FFHQAARUPHMEEK-IJLUTSLNSA-N 1 1 288.388 -0.578 10 0 CBAEMO C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000032022763 656000417 /nfs/dbraw/zinc/00/04/17/656000417.db2.gz AYZDDJLPUKTQPF-RYUDHWBXSA-N 1 1 255.362 -0.083 10 0 CBAEMO COc1ccccc1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000037622789 656001987 /nfs/dbraw/zinc/00/19/87/656001987.db2.gz WIHONJWRFBOYAG-SECBINFHSA-N 1 1 251.286 -0.486 10 0 CBAEMO COc1ccccc1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037622790 656002032 /nfs/dbraw/zinc/00/20/32/656002032.db2.gz WIHONJWRFBOYAG-VIFPVBQESA-N 1 1 251.286 -0.486 10 0 CBAEMO COc1ccc(CCNC(=O)[C@H]([NH3+])CC(N)=O)cc1OC ZINC000037622786 656002648 /nfs/dbraw/zinc/00/26/48/656002648.db2.gz LPFYZWWPAQUXSH-SNVBAGLBSA-N 1 1 295.339 -0.435 10 0 CBAEMO Cn1nnnc1-c1cccc(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037627896 656003352 /nfs/dbraw/zinc/00/33/52/656003352.db2.gz JRVQWFWAJDSOCD-SECBINFHSA-N 1 1 289.299 -0.982 10 0 CBAEMO CN(C)[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000104171310 656064874 /nfs/dbraw/zinc/06/48/74/656064874.db2.gz MJAFHHKOTSLRNO-GHMZBOCLSA-N 1 1 261.391 -0.296 10 0 CBAEMO O=C1CCCN1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172959171 656084857 /nfs/dbraw/zinc/08/48/57/656084857.db2.gz RRACQSXVUOZFDV-LBPRGKRZSA-N 1 1 253.346 -0.027 10 0 CBAEMO O=C1CCCN1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172959171 656084860 /nfs/dbraw/zinc/08/48/60/656084860.db2.gz RRACQSXVUOZFDV-LBPRGKRZSA-N 1 1 253.346 -0.027 10 0 CBAEMO CC[C@@H]1CN(CN2CC(=O)N(C)C2=O)CC[N@H+]1CCOC ZINC000182281093 656092400 /nfs/dbraw/zinc/09/24/00/656092400.db2.gz AJCPXHYUWCIATA-GFCCVEGCSA-N 1 1 298.387 -0.120 10 0 CBAEMO CO[C@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000189146798 656097687 /nfs/dbraw/zinc/09/76/87/656097687.db2.gz ISKYEEVGVPLJQU-NEPJUHHUSA-N 1 1 253.346 -0.029 10 0 CBAEMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000228215109 656109767 /nfs/dbraw/zinc/10/97/67/656109767.db2.gz RDEFJLJQDXYHPA-DJLDLDEBSA-N 1 1 254.286 -0.515 10 0 CBAEMO Cc1cnccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000228669305 656110311 /nfs/dbraw/zinc/11/03/11/656110311.db2.gz ZXXXXQHBEOHRCY-GHMZBOCLSA-N 1 1 256.327 -0.362 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[NH2+]CCOC)CCN1C[C@H](C)O ZINC000246222231 656118742 /nfs/dbraw/zinc/11/87/42/656118742.db2.gz GYGLKMFMAZRNEI-QWHCGFSZSA-N 1 1 287.404 -0.474 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=COCCO2)C[C@H]1C ZINC000246787327 656119056 /nfs/dbraw/zinc/11/90/56/656119056.db2.gz QLEVWXICVOSGAI-MNOVXSKESA-N 1 1 270.329 -0.212 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=COCCO2)C[C@H]1C ZINC000246787327 656119059 /nfs/dbraw/zinc/11/90/59/656119059.db2.gz QLEVWXICVOSGAI-MNOVXSKESA-N 1 1 270.329 -0.212 10 0 CBAEMO COC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000262019815 656128017 /nfs/dbraw/zinc/12/80/17/656128017.db2.gz AGLYMTHPYGNIMC-YPMHNXCESA-N 1 1 287.404 -0.489 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000262169827 656129482 /nfs/dbraw/zinc/12/94/82/656129482.db2.gz QHWDCARSWDGMRL-ZDUSSCGKSA-N 1 1 282.388 -0.591 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262169827 656129484 /nfs/dbraw/zinc/12/94/84/656129484.db2.gz QHWDCARSWDGMRL-ZDUSSCGKSA-N 1 1 282.388 -0.591 10 0 CBAEMO C[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000709632199 656195824 /nfs/dbraw/zinc/19/58/24/656195824.db2.gz UDPOZFNOWKNVSR-IMTBSYHQSA-N 1 1 267.251 -0.010 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000710783634 656201821 /nfs/dbraw/zinc/20/18/21/656201821.db2.gz NJXFEWMROVUDIW-OCCSQVGLSA-N 1 1 285.388 -0.408 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000710783634 656201823 /nfs/dbraw/zinc/20/18/23/656201823.db2.gz NJXFEWMROVUDIW-OCCSQVGLSA-N 1 1 285.388 -0.408 10 0 CBAEMO CCc1nc(CCNC(=O)C2CN(C)CC[N@@H+](C)C2)no1 ZINC000906581158 656393133 /nfs/dbraw/zinc/39/31/33/656393133.db2.gz BOUKGMNSBVOASN-UHFFFAOYSA-N 1 1 295.387 -0.216 10 0 CBAEMO C/C=C\[C@H](O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000908365553 656712141 /nfs/dbraw/zinc/71/21/41/656712141.db2.gz GVIZNQLKJZERCJ-UMOJZNBSSA-N 1 1 256.346 -0.163 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909170856 656788683 /nfs/dbraw/zinc/78/86/83/656788683.db2.gz WKBWSGCIIOLTPG-KKOKHZNYSA-N 1 1 264.329 -0.232 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000929576423 659145059 /nfs/dbraw/zinc/14/50/59/659145059.db2.gz SMEOMGKQQZDINZ-QJPTWQEYSA-N 1 1 255.318 -0.674 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000929576423 659145066 /nfs/dbraw/zinc/14/50/66/659145066.db2.gz SMEOMGKQQZDINZ-QJPTWQEYSA-N 1 1 255.318 -0.674 10 0 CBAEMO CC[C@@H](CO)[N@H+]1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000930431270 659286173 /nfs/dbraw/zinc/28/61/73/659286173.db2.gz FKYDCEVQEGUSLL-XQQFMLRXSA-N 1 1 280.372 -0.048 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000930528963 659302756 /nfs/dbraw/zinc/30/27/56/659302756.db2.gz SBVWXFNKZNREAI-TUAOUCFPSA-N 1 1 291.355 -0.043 10 0 CBAEMO Cc1nc2n(n1)CCN(C(=O)[C@H]1[NH2+]CCO[C@@H]1C)C2 ZINC000262335913 282109200 /nfs/dbraw/zinc/10/92/00/282109200.db2.gz SREVYRHGRAJQKT-KCJUWKMLSA-N 1 1 265.317 -0.694 10 0 CBAEMO CN(CC(=O)N1CC[C@@H]([NH3+])C1)c1ncnc2[nH]cnc21 ZINC000132664057 529829516 /nfs/dbraw/zinc/82/95/16/529829516.db2.gz FHSCXXDQTOWHQF-MRVPVSSYSA-N 1 1 275.316 -0.651 10 0 CBAEMO CN(CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)S(C)(=O)=O ZINC000250154746 282345723 /nfs/dbraw/zinc/34/57/23/282345723.db2.gz NRBRKLWURAZJCD-NSHDSACASA-N 1 1 289.401 -0.426 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+](C)CC2CC(O)C2)CC1 ZINC000091489324 180168887 /nfs/dbraw/zinc/16/88/87/180168887.db2.gz FJHOOGXYDFQGCQ-UHFFFAOYSA-N 1 1 255.362 -0.537 10 0 CBAEMO CC(C)(O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000111216286 186370691 /nfs/dbraw/zinc/37/06/91/186370691.db2.gz OONBVOIRMDUKDE-SECBINFHSA-N 1 1 265.379 -0.738 10 0 CBAEMO Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2nc[nH+]c(N)c12 ZINC000028385027 351370807 /nfs/dbraw/zinc/37/08/07/351370807.db2.gz MHLSWVMYXGXNGJ-NHULRPGXSA-N 1 1 294.311 -0.676 10 0 CBAEMO Nc1ncn(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000040326426 351414114 /nfs/dbraw/zinc/41/41/14/351414114.db2.gz PVHNBTRYAOUHHE-SECBINFHSA-N 1 1 250.306 -0.833 10 0 CBAEMO COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000040832579 351419599 /nfs/dbraw/zinc/41/95/99/351419599.db2.gz GOXLEYUFQWHPQP-JTQLQIEISA-N 1 1 279.296 -0.708 10 0 CBAEMO CN1N=C(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC1=O ZINC000049515965 351495095 /nfs/dbraw/zinc/49/50/95/351495095.db2.gz GFGWIACVPRFWLW-SNVBAGLBSA-N 1 1 264.329 -0.099 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCCO)CC1 ZINC000052761790 351520945 /nfs/dbraw/zinc/52/09/45/351520945.db2.gz WVSMWNDPQNKOQP-CYBMUJFWSA-N 1 1 269.389 -0.003 10 0 CBAEMO CC[NH+]1CCN(CCN2CCC(=O)[C@@H](C(=O)OC)C2)CC1 ZINC000070460857 351639595 /nfs/dbraw/zinc/63/95/95/351639595.db2.gz RYWSMIRGRLVVPM-ZDUSSCGKSA-N 1 1 297.399 -0.312 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@H]1C ZINC000105912316 351793082 /nfs/dbraw/zinc/79/30/82/351793082.db2.gz VYQSKTPUENQVHQ-CHWSQXEVSA-N 1 1 269.389 -0.004 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000110361799 351799145 /nfs/dbraw/zinc/79/91/45/351799145.db2.gz STZVDDDUBVIWDV-LLVKDONJSA-N 1 1 269.345 -0.697 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCC(N)=O ZINC000113459003 351813303 /nfs/dbraw/zinc/81/33/03/351813303.db2.gz YIMOARLGFDUIFJ-VHSXEESVSA-N 1 1 271.386 -0.100 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)CN1CCOCC1 ZINC000113310602 351813340 /nfs/dbraw/zinc/81/33/40/351813340.db2.gz LTTHPTQGLCAZMS-RBSFLKMASA-N 1 1 283.416 -0.152 10 0 CBAEMO COC(=O)CNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113518275 351814592 /nfs/dbraw/zinc/81/45/92/351814592.db2.gz BGJAMEGZQSXMPI-GHMZBOCLSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000127233432 351863462 /nfs/dbraw/zinc/86/34/62/351863462.db2.gz HULHIGLBNDCYNY-ZJUUUORDSA-N 1 1 282.344 -0.473 10 0 CBAEMO Cc1ncc(Br)c(=O)n1C[C@H]([NH3+])C(N)=O ZINC000127848212 351864129 /nfs/dbraw/zinc/86/41/29/351864129.db2.gz OSBGQYPIXHKKPR-LURJTMIESA-N 1 1 275.106 -0.873 10 0 CBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H](C)C1 ZINC000154329447 351945837 /nfs/dbraw/zinc/94/58/37/351945837.db2.gz KCXIQWUBULJIDV-QWRGUYRKSA-N 1 1 298.387 -0.964 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000133755332 351901457 /nfs/dbraw/zinc/90/14/57/351901457.db2.gz CCKQSSUVROULGQ-NEPJUHHUSA-N 1 1 298.387 -0.685 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNc2ccc3nnnn3n2)C1 ZINC000134431267 351906445 /nfs/dbraw/zinc/90/64/45/351906445.db2.gz OHSVTQWWBAFGKE-VIFPVBQESA-N 1 1 263.305 -0.348 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNc2ccc3nnnn3n2)C1 ZINC000134431267 351906446 /nfs/dbraw/zinc/90/64/46/351906446.db2.gz OHSVTQWWBAFGKE-VIFPVBQESA-N 1 1 263.305 -0.348 10 0 CBAEMO COCCN1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1C ZINC000171570385 352012906 /nfs/dbraw/zinc/01/29/06/352012906.db2.gz JQNGPAXUTIEJLF-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@@H+]1CCN(CCCC(=O)NC(N)=O)C[C@H]1C ZINC000171570385 352012907 /nfs/dbraw/zinc/01/29/07/352012907.db2.gz JQNGPAXUTIEJLF-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@H+]1CCN(CCCC(=O)NC(N)=O)C[C@H]1C ZINC000171570385 352012910 /nfs/dbraw/zinc/01/29/10/352012910.db2.gz JQNGPAXUTIEJLF-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO O=C([C@@H]1CSC[NH2+]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000168236560 351992837 /nfs/dbraw/zinc/99/28/37/351992837.db2.gz IDJIPKGNFFNPQJ-MNOVXSKESA-N 1 1 282.369 -0.227 10 0 CBAEMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173850204 352042621 /nfs/dbraw/zinc/04/26/21/352042621.db2.gz VZPFBJYHAUNMOP-MNOVXSKESA-N 1 1 284.360 -0.776 10 0 CBAEMO CCNC(=O)CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173937631 352042955 /nfs/dbraw/zinc/04/29/55/352042955.db2.gz HHUGQRZRGUWDSX-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO CC(=O)NCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943531 352043681 /nfs/dbraw/zinc/04/36/81/352043681.db2.gz BQRJZYAEPRXIAC-CYBMUJFWSA-N 1 1 255.362 -0.081 10 0 CBAEMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000177569189 352075013 /nfs/dbraw/zinc/07/50/13/352075013.db2.gz AZNQSNCHDDLLKO-SMDDNHRTSA-N 1 1 284.356 -0.145 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NCC(=O)OC ZINC000175336959 352055949 /nfs/dbraw/zinc/05/59/49/352055949.db2.gz SHLOKCSWILEUGG-LLVKDONJSA-N 1 1 271.361 -0.308 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000175960269 352061448 /nfs/dbraw/zinc/06/14/48/352061448.db2.gz JWRNVXUVFYSKSX-CYBMUJFWSA-N 1 1 287.404 -0.208 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000175960269 352061449 /nfs/dbraw/zinc/06/14/49/352061449.db2.gz JWRNVXUVFYSKSX-CYBMUJFWSA-N 1 1 287.404 -0.208 10 0 CBAEMO NS(=O)(=O)CCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000177764972 352075570 /nfs/dbraw/zinc/07/55/70/352075570.db2.gz BQYJGQOFBQTYIG-NSHDSACASA-N 1 1 261.391 -0.165 10 0 CBAEMO CCOCCNC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176025015 352062385 /nfs/dbraw/zinc/06/23/85/352062385.db2.gz NWMYUAJMAOHQTI-UONOGXRCSA-N 1 1 299.415 -0.208 10 0 CBAEMO COC(=O)CNC(=O)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177756779 352075812 /nfs/dbraw/zinc/07/58/12/352075812.db2.gz SCIPIEMORJLIDI-GFCCVEGCSA-N 1 1 283.372 -0.164 10 0 CBAEMO COC(=O)CNC(=O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177756779 352075816 /nfs/dbraw/zinc/07/58/16/352075816.db2.gz SCIPIEMORJLIDI-GFCCVEGCSA-N 1 1 283.372 -0.164 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000177756779 352075818 /nfs/dbraw/zinc/07/58/18/352075818.db2.gz SCIPIEMORJLIDI-GFCCVEGCSA-N 1 1 283.372 -0.164 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC000176987809 352069134 /nfs/dbraw/zinc/06/91/34/352069134.db2.gz XBBVVYYEWBSSOA-LLVKDONJSA-N 1 1 291.417 -0.132 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC000177232286 352071633 /nfs/dbraw/zinc/07/16/33/352071633.db2.gz CHYJWXFVEHHZNJ-RYUDHWBXSA-N 1 1 255.362 -0.273 10 0 CBAEMO CS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171893104 352017927 /nfs/dbraw/zinc/01/79/27/352017927.db2.gz WKFADTHENFENOD-SNVBAGLBSA-N 1 1 275.374 -0.479 10 0 CBAEMO CS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171893104 352017929 /nfs/dbraw/zinc/01/79/29/352017929.db2.gz WKFADTHENFENOD-SNVBAGLBSA-N 1 1 275.374 -0.479 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171880605 352017948 /nfs/dbraw/zinc/01/79/48/352017948.db2.gz YCPFGDGDQUHCAZ-SECBINFHSA-N 1 1 257.359 -0.489 10 0 CBAEMO O=C(NC1CN(C[C@@H](O)C[NH+]2CCOCC2)C1)C1CCC1 ZINC000185937226 352122544 /nfs/dbraw/zinc/12/25/44/352122544.db2.gz YVVBPJJRZLTCPO-AWEZNQCLSA-N 1 1 297.399 -0.720 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@@H]2CCNC2=O)C[C@@H]1C ZINC000178199181 352077449 /nfs/dbraw/zinc/07/74/49/352077449.db2.gz GFAJAZKWIICDKJ-NWDGAFQWSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCOCC[N@H+]1CCN([C@@H]2CCNC2=O)C[C@@H]1C ZINC000178199181 352077453 /nfs/dbraw/zinc/07/74/53/352077453.db2.gz GFAJAZKWIICDKJ-NWDGAFQWSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000179179546 352088510 /nfs/dbraw/zinc/08/85/10/352088510.db2.gz RFIGMJQORGILBK-IJLUTSLNSA-N 1 1 256.346 -0.328 10 0 CBAEMO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000179179546 352088511 /nfs/dbraw/zinc/08/85/11/352088511.db2.gz RFIGMJQORGILBK-IJLUTSLNSA-N 1 1 256.346 -0.328 10 0 CBAEMO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179182227 352088727 /nfs/dbraw/zinc/08/87/27/352088727.db2.gz UBRQEDUIVFPBSW-NEPJUHHUSA-N 1 1 256.346 -0.328 10 0 CBAEMO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000179182227 352088729 /nfs/dbraw/zinc/08/87/29/352088729.db2.gz UBRQEDUIVFPBSW-NEPJUHHUSA-N 1 1 256.346 -0.328 10 0 CBAEMO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCO1 ZINC000180248813 352093794 /nfs/dbraw/zinc/09/37/94/352093794.db2.gz YDXBIABEFOIEOB-MNOVXSKESA-N 1 1 274.361 -0.391 10 0 CBAEMO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CCO1 ZINC000180248813 352093798 /nfs/dbraw/zinc/09/37/98/352093798.db2.gz YDXBIABEFOIEOB-MNOVXSKESA-N 1 1 274.361 -0.391 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)cn1 ZINC000180498945 352094838 /nfs/dbraw/zinc/09/48/38/352094838.db2.gz DETJHQPSHZUXBI-CYBMUJFWSA-N 1 1 291.399 -0.017 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182567518 352105103 /nfs/dbraw/zinc/10/51/03/352105103.db2.gz SIFKDIOIPDNUIK-RYUDHWBXSA-N 1 1 278.418 -0.144 10 0 CBAEMO CC[NH+]1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183788239 352110231 /nfs/dbraw/zinc/11/02/31/352110231.db2.gz KTJHTPVFMVCRJC-UHFFFAOYSA-N 1 1 268.361 -0.140 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCNC(C)=O)CC1 ZINC000184705144 352113556 /nfs/dbraw/zinc/11/35/56/352113556.db2.gz NOXJQBNXJVBUAY-LBPRGKRZSA-N 1 1 286.376 -0.779 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCNC(C)=O)CC1 ZINC000184705161 352113664 /nfs/dbraw/zinc/11/36/64/352113664.db2.gz NOXJQBNXJVBUAY-GFCCVEGCSA-N 1 1 286.376 -0.779 10 0 CBAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000189082948 352164188 /nfs/dbraw/zinc/16/41/88/352164188.db2.gz MKBXTQOLOKEBIF-MGPQQGTHSA-N 1 1 297.399 -0.233 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000189269254 352166431 /nfs/dbraw/zinc/16/64/31/352166431.db2.gz OWSVMNGFUCLCSK-AGIUHOORSA-N 1 1 286.372 -0.247 10 0 CBAEMO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1nnnn1C1CC1 ZINC000190575804 352182295 /nfs/dbraw/zinc/18/22/95/352182295.db2.gz ROOFOOUFUGXCQN-KOLCDFICSA-N 1 1 266.349 -0.011 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188102907 352147129 /nfs/dbraw/zinc/14/71/29/352147129.db2.gz MHYDZAVCAYDHOX-WDEREUQCSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188102907 352147135 /nfs/dbraw/zinc/14/71/35/352147135.db2.gz MHYDZAVCAYDHOX-WDEREUQCSA-N 1 1 269.345 -0.556 10 0 CBAEMO O=C(Cn1cnnn1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195083745 352221708 /nfs/dbraw/zinc/22/17/08/352221708.db2.gz ALZLYFPPCWLFNN-SNVBAGLBSA-N 1 1 250.306 -0.630 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000195173562 352222681 /nfs/dbraw/zinc/22/26/81/352222681.db2.gz MFFKIDBESXJUGE-QWRGUYRKSA-N 1 1 260.334 -0.650 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000195173562 352222685 /nfs/dbraw/zinc/22/26/85/352222685.db2.gz MFFKIDBESXJUGE-QWRGUYRKSA-N 1 1 260.334 -0.650 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000195216000 352223577 /nfs/dbraw/zinc/22/35/77/352223577.db2.gz RSDAQCZDILVPKA-NEPJUHHUSA-N 1 1 274.361 -0.389 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000195216000 352223583 /nfs/dbraw/zinc/22/35/83/352223583.db2.gz RSDAQCZDILVPKA-NEPJUHHUSA-N 1 1 274.361 -0.389 10 0 CBAEMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195335239 352225798 /nfs/dbraw/zinc/22/57/98/352225798.db2.gz TUJLOWNCPSPSFH-NXEZZACHSA-N 1 1 275.374 -0.769 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)COCCOC)C1 ZINC000227203694 352255924 /nfs/dbraw/zinc/25/59/24/352255924.db2.gz FBRYPADOZKTTRB-LLVKDONJSA-N 1 1 260.334 -0.514 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)COCCOC)C1 ZINC000227203694 352255925 /nfs/dbraw/zinc/25/59/25/352255925.db2.gz FBRYPADOZKTTRB-LLVKDONJSA-N 1 1 260.334 -0.514 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000224158902 352246452 /nfs/dbraw/zinc/24/64/52/352246452.db2.gz YMGJWEVKSQHRHP-QWRGUYRKSA-N 1 1 271.361 -0.181 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000224158953 352246482 /nfs/dbraw/zinc/24/64/82/352246482.db2.gz YMGJWEVKSQHRHP-WDEREUQCSA-N 1 1 271.361 -0.181 10 0 CBAEMO CCOC(=O)C1CCC(O)(C[N@@H+](C)CC(N)=O)CC1 ZINC000233680692 352281380 /nfs/dbraw/zinc/28/13/80/352281380.db2.gz RYBRXTKPTSNKIA-UHFFFAOYSA-N 1 1 272.345 -0.112 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000236952477 352297301 /nfs/dbraw/zinc/29/73/01/352297301.db2.gz MISFKAKYXAZVER-VXGBXAGGSA-N 1 1 256.394 -0.134 10 0 CBAEMO OC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000248390525 352351228 /nfs/dbraw/zinc/35/12/28/352351228.db2.gz IGSLXFCWNFJQNK-RRFJBIMHSA-N 1 1 281.352 -0.008 10 0 CBAEMO CN1CCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245542773 352321990 /nfs/dbraw/zinc/32/19/90/352321990.db2.gz RUDFYUGTBGUOTR-ZDUSSCGKSA-N 1 1 266.389 -0.460 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246323939 352331114 /nfs/dbraw/zinc/33/11/14/352331114.db2.gz ZCWHMMMDRITGCY-ZJUUUORDSA-N 1 1 265.379 -0.772 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246323939 352331115 /nfs/dbraw/zinc/33/11/15/352331115.db2.gz ZCWHMMMDRITGCY-ZJUUUORDSA-N 1 1 265.379 -0.772 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246298108 352331736 /nfs/dbraw/zinc/33/17/36/352331736.db2.gz CWFBGLIROXXGSR-MCIONIFRSA-N 1 1 298.383 -0.151 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246298108 352331738 /nfs/dbraw/zinc/33/17/38/352331738.db2.gz CWFBGLIROXXGSR-MCIONIFRSA-N 1 1 298.383 -0.151 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CSCN2)CC[N@H+]1C[C@H](C)O ZINC000246504808 352333386 /nfs/dbraw/zinc/33/33/86/352333386.db2.gz QCZJSUJNICKFRI-TUAOUCFPSA-N 1 1 287.429 -0.048 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CSCN2)C[C@@H]1C ZINC000246501530 352333985 /nfs/dbraw/zinc/33/39/85/352333985.db2.gz PWHCTPYAFKEBOY-DCAQKATOSA-N 1 1 273.402 -0.438 10 0 CBAEMO C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1N1CCOCC1 ZINC000246449729 352334155 /nfs/dbraw/zinc/33/41/55/352334155.db2.gz MQAGHJGMOWPEIT-VXGBXAGGSA-N 1 1 298.387 -0.386 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248656568 352355496 /nfs/dbraw/zinc/35/54/96/352355496.db2.gz RSDAQCZDILVPKA-NWDGAFQWSA-N 1 1 274.361 -0.389 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248656568 352355499 /nfs/dbraw/zinc/35/54/99/352355499.db2.gz RSDAQCZDILVPKA-NWDGAFQWSA-N 1 1 274.361 -0.389 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000246792529 352338045 /nfs/dbraw/zinc/33/80/45/352338045.db2.gz CSPLRZCSAONGHI-GHMZBOCLSA-N 1 1 291.417 -0.229 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246758540 352338799 /nfs/dbraw/zinc/33/87/99/352338799.db2.gz OMBCJGVUGMCSMM-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246758540 352338801 /nfs/dbraw/zinc/33/88/01/352338801.db2.gz OMBCJGVUGMCSMM-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO O[C@@H](CN1CCOCC1)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246928592 352339467 /nfs/dbraw/zinc/33/94/67/352339467.db2.gz SXJKBINNDSFOGD-CABCVRRESA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000246928592 352339468 /nfs/dbraw/zinc/33/94/68/352339468.db2.gz SXJKBINNDSFOGD-CABCVRRESA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000246928592 352339470 /nfs/dbraw/zinc/33/94/70/352339470.db2.gz SXJKBINNDSFOGD-CABCVRRESA-N 1 1 283.416 -0.150 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000246967272 352340999 /nfs/dbraw/zinc/34/09/99/352340999.db2.gz KCOQOTRVZFNYJJ-SRVKXCTJSA-N 1 1 255.362 -0.396 10 0 CBAEMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247186715 352343283 /nfs/dbraw/zinc/34/32/83/352343283.db2.gz SJJCEOLYXMUVQI-NWDGAFQWSA-N 1 1 255.362 -0.130 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)C[C@@H]1C ZINC000247143314 352343803 /nfs/dbraw/zinc/34/38/03/352343803.db2.gz PISXVRSEFHIMPJ-RYUDHWBXSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)C[C@@H]1C ZINC000247143314 352343807 /nfs/dbraw/zinc/34/38/07/352343807.db2.gz PISXVRSEFHIMPJ-RYUDHWBXSA-N 1 1 283.372 -0.308 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@@H]1C ZINC000247381642 352346333 /nfs/dbraw/zinc/34/63/33/352346333.db2.gz VYQSKTPUENQVHQ-STQMWFEESA-N 1 1 269.389 -0.004 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000248994362 352359479 /nfs/dbraw/zinc/35/94/79/352359479.db2.gz KCXIQWUBULJIDV-GHMZBOCLSA-N 1 1 298.387 -0.964 10 0 CBAEMO CN(CC(=O)N1CC[N@H+]2CCC[C@H]2C1)S(C)(=O)=O ZINC000249835101 352371462 /nfs/dbraw/zinc/37/14/62/352371462.db2.gz RUXVMGNQSKMKQS-JTQLQIEISA-N 1 1 275.374 -0.816 10 0 CBAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000251910072 352376050 /nfs/dbraw/zinc/37/60/50/352376050.db2.gz XBYIDRPJSXDATI-MNOVXSKESA-N 1 1 278.360 -0.055 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000253079377 352381842 /nfs/dbraw/zinc/38/18/42/352381842.db2.gz UNPAPLGKYUBCJM-WDEREUQCSA-N 1 1 269.345 -0.427 10 0 CBAEMO C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)NC(C)(C)C ZINC000261937358 352400502 /nfs/dbraw/zinc/40/05/02/352400502.db2.gz MKQAZNSXUUTXNK-BBBLOLIVSA-N 1 1 271.361 -0.217 10 0 CBAEMO C[C@@H](CO[C@H]1CCOC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261864156 352398635 /nfs/dbraw/zinc/39/86/35/352398635.db2.gz CLFWZMMIDJSARM-USZNOCQGSA-N 1 1 272.345 -0.327 10 0 CBAEMO CC[N@@H+](CCNC(=O)[C@H]1NCCO[C@@H]1C)C1CC1 ZINC000262137203 352408282 /nfs/dbraw/zinc/40/82/82/352408282.db2.gz GWWRQAWFFKVLBO-PWSUYJOCSA-N 1 1 255.362 -0.036 10 0 CBAEMO CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262156446 352408380 /nfs/dbraw/zinc/40/83/80/352408380.db2.gz IBNNIRYHEFGJOK-AEJSXWLSSA-N 1 1 278.374 -0.697 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2noc(CN)n2)C[C@H]1C ZINC000262177539 352409223 /nfs/dbraw/zinc/40/92/23/352409223.db2.gz IGPMORKQRMVOOL-NXEZZACHSA-N 1 1 269.349 -0.585 10 0 CBAEMO CCOC(=O)[C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262274603 352413270 /nfs/dbraw/zinc/41/32/70/352413270.db2.gz NIAJPYGQBMNLCL-BBBLOLIVSA-N 1 1 258.318 -0.321 10 0 CBAEMO CCOC(=O)[C@@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262274601 352413600 /nfs/dbraw/zinc/41/36/00/352413600.db2.gz NIAJPYGQBMNLCL-AEJSXWLSSA-N 1 1 258.318 -0.321 10 0 CBAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263258832 352441369 /nfs/dbraw/zinc/44/13/69/352441369.db2.gz QSJAJJOACAKKTR-UWVGGRQHSA-N 1 1 276.331 -0.654 10 0 CBAEMO COC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262282508 352414281 /nfs/dbraw/zinc/41/42/81/352414281.db2.gz LYBIKNCXDMOHMI-ONGXEEELSA-N 1 1 261.391 -0.486 10 0 CBAEMO C[C@H](CN1CCOCC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262287827 352414577 /nfs/dbraw/zinc/41/45/77/352414577.db2.gz OMAVAGKYCHPDQO-UTUOFQBUSA-N 1 1 271.361 -0.800 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000262308975 352415242 /nfs/dbraw/zinc/41/52/42/352415242.db2.gz QHTFKOJIBALZBL-KOLCDFICSA-N 1 1 277.315 -0.227 10 0 CBAEMO COC[C@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262330060 352416435 /nfs/dbraw/zinc/41/64/35/352416435.db2.gz RMSNFOCYXAUKCV-LBPRGKRZSA-N 1 1 285.388 -0.279 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000262555359 352426469 /nfs/dbraw/zinc/42/64/69/352426469.db2.gz PIUHDSBXPOQPLW-SNVBAGLBSA-N 1 1 284.337 -0.071 10 0 CBAEMO CC(C)NC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261945199 352402170 /nfs/dbraw/zinc/40/21/70/352402170.db2.gz NKWQVFUYDWEJIE-KOLCDFICSA-N 1 1 257.334 -0.606 10 0 CBAEMO CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261947836 352402455 /nfs/dbraw/zinc/40/24/55/352402455.db2.gz NVYTWLDGXGPABS-FOGDFJRCSA-N 1 1 271.361 -0.216 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000262017435 352403212 /nfs/dbraw/zinc/40/32/12/352403212.db2.gz WDLMXUNUTDZYSX-BBBLOLIVSA-N 1 1 255.318 -0.852 10 0 CBAEMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1NCCO[C@@H]1C ZINC000262060675 352405362 /nfs/dbraw/zinc/40/53/62/352405362.db2.gz AUSMSEKTQPFIQD-LFSVMHDDSA-N 1 1 267.373 -0.038 10 0 CBAEMO O=C(CC[N@H+]1CC[C@H](CCO)C1)N1CCNCC1 ZINC000262060307 352405494 /nfs/dbraw/zinc/40/54/94/352405494.db2.gz JANRWRVSQTZLOR-GFCCVEGCSA-N 1 1 255.362 -0.487 10 0 CBAEMO O=C(CC[N@@H+]1CC[C@H](CCO)C1)N1CCNCC1 ZINC000262060307 352405498 /nfs/dbraw/zinc/40/54/98/352405498.db2.gz JANRWRVSQTZLOR-GFCCVEGCSA-N 1 1 255.362 -0.487 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1(C(N)=O)CCCC1 ZINC000262099901 352407357 /nfs/dbraw/zinc/40/73/57/352407357.db2.gz DOUCMPMHFHLYNJ-ZJUUUORDSA-N 1 1 269.345 -0.475 10 0 CBAEMO Cc1cc(C)n(CC[N@H+]2CCC[C@](O)(C(N)=O)C2)n1 ZINC000286358501 352642824 /nfs/dbraw/zinc/64/28/24/352642824.db2.gz YBEPTAFEUFJFAA-CYBMUJFWSA-N 1 1 266.345 -0.188 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000312570841 352775031 /nfs/dbraw/zinc/77/50/31/352775031.db2.gz UUJQCOZTLSLUOW-WDEREUQCSA-N 1 1 287.360 -0.306 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000312570841 352775034 /nfs/dbraw/zinc/77/50/34/352775034.db2.gz UUJQCOZTLSLUOW-WDEREUQCSA-N 1 1 287.360 -0.306 10 0 CBAEMO Cc1ccnc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)n1 ZINC000301298852 352736803 /nfs/dbraw/zinc/73/68/03/352736803.db2.gz ZGMKQNWIAUYXEA-CYBMUJFWSA-N 1 1 279.388 -0.170 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000312715421 352775809 /nfs/dbraw/zinc/77/58/09/352775809.db2.gz QDFHQCQMHWWMHO-VHSXEESVSA-N 1 1 287.360 -0.308 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000312715421 352775812 /nfs/dbraw/zinc/77/58/12/352775812.db2.gz QDFHQCQMHWWMHO-VHSXEESVSA-N 1 1 287.360 -0.308 10 0 CBAEMO OCCC[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000303971046 352744962 /nfs/dbraw/zinc/74/49/62/352744962.db2.gz DBBABPODRMHXPA-KBPBESRZSA-N 1 1 272.389 -0.084 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](CCO)C1 ZINC000336654727 353044921 /nfs/dbraw/zinc/04/49/21/353044921.db2.gz KDUCWBDXIYRBOW-SNVBAGLBSA-N 1 1 250.364 -0.418 10 0 CBAEMO CC(C)n1ccnc1C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336787478 353052301 /nfs/dbraw/zinc/05/23/01/353052301.db2.gz FCAOFYLWTGEVLS-LBPRGKRZSA-N 1 1 252.318 -0.114 10 0 CBAEMO CC(C)n1ccnc1C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336787478 353052302 /nfs/dbraw/zinc/05/23/02/353052302.db2.gz FCAOFYLWTGEVLS-LBPRGKRZSA-N 1 1 252.318 -0.114 10 0 CBAEMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336793902 353054370 /nfs/dbraw/zinc/05/43/70/353054370.db2.gz YWAZPSHQCLXNNO-CMPLNLGQSA-N 1 1 260.334 -0.916 10 0 CBAEMO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000343878273 353296560 /nfs/dbraw/zinc/29/65/60/353296560.db2.gz ROZPPLUXJGWGRM-NWDGAFQWSA-N 1 1 297.355 -0.680 10 0 CBAEMO CS(=O)(=O)N1CC[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000400203203 353800577 /nfs/dbraw/zinc/80/05/77/353800577.db2.gz PKAVLODHXQAXDY-QWRGUYRKSA-N 1 1 261.391 -0.391 10 0 CBAEMO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404168464 353805579 /nfs/dbraw/zinc/80/55/79/353805579.db2.gz UQELWVICYOMWEO-NWDGAFQWSA-N 1 1 292.401 -0.196 10 0 CBAEMO Cn1nccc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404210909 353806521 /nfs/dbraw/zinc/80/65/21/353806521.db2.gz VIZNCZVRLMBSAQ-VHSXEESVSA-N 1 1 286.357 -0.829 10 0 CBAEMO Cn1nccc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404210910 353806647 /nfs/dbraw/zinc/80/66/47/353806647.db2.gz VIZNCZVRLMBSAQ-ZJUUUORDSA-N 1 1 286.357 -0.829 10 0 CBAEMO CC1(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000573723747 354919715 /nfs/dbraw/zinc/91/97/15/354919715.db2.gz ZHTLUKFUUQKRPE-VHSXEESVSA-N 1 1 260.359 -0.069 10 0 CBAEMO COC(=O)C1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000592530390 355159956 /nfs/dbraw/zinc/15/99/56/355159956.db2.gz VOOVLTCCDDWUKJ-ILDUYXDCSA-N 1 1 270.329 -0.177 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccc(C(N)=O)cc1 ZINC000616605167 356102405 /nfs/dbraw/zinc/10/24/05/356102405.db2.gz UDOVEWBLDNZION-NSHDSACASA-N 1 1 283.353 -0.309 10 0 CBAEMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000628756298 356721016 /nfs/dbraw/zinc/72/10/16/356721016.db2.gz RJNFAVAOPWJEAA-WDEREUQCSA-N 1 1 253.346 -0.029 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1nncn1C ZINC000631963547 356935707 /nfs/dbraw/zinc/93/57/07/356935707.db2.gz FTJPCEIDTQPGBT-VHSXEESVSA-N 1 1 285.373 -0.328 10 0 CBAEMO CN1CCN(CCNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634769502 357134936 /nfs/dbraw/zinc/13/49/36/357134936.db2.gz CRKCXXFMEWMASQ-ZFWWWQNUSA-N 1 1 280.416 -0.260 10 0 CBAEMO C[C@@](O)(C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F ZINC000639743223 357593774 /nfs/dbraw/zinc/59/37/74/357593774.db2.gz XOUJETCALWGLGS-IWSPIJDZSA-N 1 1 280.250 -0.191 10 0 CBAEMO C[C@@](O)(C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F ZINC000639743223 357593776 /nfs/dbraw/zinc/59/37/76/357593776.db2.gz XOUJETCALWGLGS-IWSPIJDZSA-N 1 1 280.250 -0.191 10 0 CBAEMO O[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1n1ccnn1 ZINC000639752759 357595264 /nfs/dbraw/zinc/59/52/64/357595264.db2.gz GWLQQVKGPCQTEP-CHWSQXEVSA-N 1 1 281.360 -0.782 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848882 357606225 /nfs/dbraw/zinc/60/62/25/357606225.db2.gz JZTKUGUWCFXTPI-JHJVBQTASA-N 1 1 261.362 -0.018 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000181278783 189292931 /nfs/dbraw/zinc/29/29/31/189292931.db2.gz ZOOYCLPCJGGBGQ-SNVBAGLBSA-N 1 1 282.348 -0.001 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000181278783 189292932 /nfs/dbraw/zinc/29/29/32/189292932.db2.gz ZOOYCLPCJGGBGQ-SNVBAGLBSA-N 1 1 282.348 -0.001 10 0 CBAEMO C[C@](O)(C[N@H+]1CC[C@@](O)(C(N)=O)C1)c1ccccc1 ZINC000276502441 193358633 /nfs/dbraw/zinc/35/86/33/193358633.db2.gz XXUPQTIVLWOAPJ-KBPBESRZSA-N 1 1 264.325 -0.184 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[NH+](C)C1 ZINC000162206031 372821040 /nfs/dbraw/zinc/82/10/40/372821040.db2.gz GKTFAOWCDLUJCV-KGLIPLIRSA-N 1 1 271.405 -0.437 10 0 CBAEMO C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000162206031 372821050 /nfs/dbraw/zinc/82/10/50/372821050.db2.gz GKTFAOWCDLUJCV-KGLIPLIRSA-N 1 1 271.405 -0.437 10 0 CBAEMO C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000162206031 372821058 /nfs/dbraw/zinc/82/10/58/372821058.db2.gz GKTFAOWCDLUJCV-KGLIPLIRSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000162206031 372821062 /nfs/dbraw/zinc/82/10/62/372821062.db2.gz GKTFAOWCDLUJCV-KGLIPLIRSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000162206031 372821069 /nfs/dbraw/zinc/82/10/69/372821069.db2.gz GKTFAOWCDLUJCV-KGLIPLIRSA-N 1 1 271.405 -0.437 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000172081437 372830216 /nfs/dbraw/zinc/83/02/16/372830216.db2.gz CLBALCSSKMRASY-VXGBXAGGSA-N 1 1 292.383 -0.248 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000344681027 217273700 /nfs/dbraw/zinc/27/37/00/217273700.db2.gz QXRVWDOPGPDFDH-GRYCIOLGSA-N 1 1 292.401 -0.651 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000344897991 217350123 /nfs/dbraw/zinc/35/01/23/217350123.db2.gz JADXWYUUCYVVKF-MNOVXSKESA-N 1 1 280.390 -0.651 10 0 CBAEMO C[NH+](C)CCOC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040168393 220192749 /nfs/dbraw/zinc/19/27/49/220192749.db2.gz MRCBPRRIYHISMJ-VIFPVBQESA-N 1 1 264.347 -0.291 10 0 CBAEMO CCOC(C[N@H+]1CCC[C@](O)(C(N)=O)C1)OCC ZINC000375460631 373566747 /nfs/dbraw/zinc/56/67/47/373566747.db2.gz PNMNMBMYVPRRBN-GFCCVEGCSA-N 1 1 260.334 -0.302 10 0 CBAEMO COC[C@]1(C(=O)N[C@@H](C)c2nnc[nH]2)CCC[NH2+]1 ZINC000643783015 374417861 /nfs/dbraw/zinc/41/78/61/374417861.db2.gz CWAPYPUSYHZDEM-KWQFWETISA-N 1 1 253.306 -0.250 10 0 CBAEMO C[C@@H](C[NH3+])NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000262544132 190057284 /nfs/dbraw/zinc/05/72/84/190057284.db2.gz UDHJMGATGTZUEC-ZETCQYMHSA-N 1 1 263.305 -0.748 10 0 CBAEMO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000367039750 248742654 /nfs/dbraw/zinc/74/26/54/248742654.db2.gz ZZSXIHOPSIFHER-ZIAGYGMSSA-N 1 1 294.399 -0.497 10 0 CBAEMO COCCOc1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000037630489 184541738 /nfs/dbraw/zinc/54/17/38/184541738.db2.gz KSTRLJIGMKTURU-LLVKDONJSA-N 1 1 281.312 -0.147 10 0 CBAEMO COCC[N@@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000116278030 285050709 /nfs/dbraw/zinc/05/07/09/285050709.db2.gz XRSYEOTUTADEMD-VXGBXAGGSA-N 1 1 255.362 -0.130 10 0 CBAEMO COCC[N@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000116278030 285050710 /nfs/dbraw/zinc/05/07/10/285050710.db2.gz XRSYEOTUTADEMD-VXGBXAGGSA-N 1 1 255.362 -0.130 10 0 CBAEMO BrN1CCNCC[NH2+]CCNCC1 ZINC000096327362 256839766 /nfs/dbraw/zinc/83/97/66/256839766.db2.gz PZWVPSYRUMUGMW-UHFFFAOYSA-N 1 1 251.172 -0.619 10 0 CBAEMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH3+])cc1 ZINC000040173605 292186572 /nfs/dbraw/zinc/18/65/72/292186572.db2.gz HYVRJQMROVEICM-MNOVXSKESA-N 1 1 289.378 -0.107 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCNS(C)(=O)=O ZINC000247145917 297100488 /nfs/dbraw/zinc/10/04/88/297100488.db2.gz JXBWNVMYSHFBOY-MNOVXSKESA-N 1 1 261.391 -0.296 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC000186437577 286087156 /nfs/dbraw/zinc/08/71/56/286087156.db2.gz UOJPJQZEWQMLNW-MNOVXSKESA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC000186437577 286087159 /nfs/dbraw/zinc/08/71/59/286087159.db2.gz UOJPJQZEWQMLNW-MNOVXSKESA-N 1 1 286.376 -0.388 10 0 CBAEMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173929232 289244947 /nfs/dbraw/zinc/24/49/47/289244947.db2.gz SJJCEOLYXMUVQI-NEPJUHHUSA-N 1 1 255.362 -0.130 10 0 CBAEMO CCS(=O)(=O)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783031 286591848 /nfs/dbraw/zinc/59/18/48/286591848.db2.gz UDLXRUXAVQGXKK-JTQLQIEISA-N 1 1 278.374 -0.790 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCOc2ccccc21 ZINC000037629362 411624377 /nfs/dbraw/zinc/62/43/77/411624377.db2.gz ODQAAHIPGCEHHT-UWVGGRQHSA-N 1 1 263.297 -0.171 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037622859 411624721 /nfs/dbraw/zinc/62/47/21/411624721.db2.gz WXHPURVXGHBWIY-VIFPVBQESA-N 1 1 279.296 -0.011 10 0 CBAEMO CS(=O)(=O)NCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020203446 171068535 /nfs/dbraw/zinc/06/85/35/171068535.db2.gz UEEIPHUJUUYPFG-JTQLQIEISA-N 1 1 272.326 -0.036 10 0 CBAEMO CCCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000020521356 171234506 /nfs/dbraw/zinc/23/45/06/171234506.db2.gz XSGONAISYTZUDK-UHFFFAOYSA-N 1 1 254.378 -0.554 10 0 CBAEMO C[C@@H](C(=O)N1CCCN(C)CC1)N1CC[NH2+]CC1 ZINC000020521352 171234558 /nfs/dbraw/zinc/23/45/58/171234558.db2.gz HBMREUFNKQJYNZ-LBPRGKRZSA-N 1 1 254.378 -0.556 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NCc2ccco2)C1 ZINC000284756557 196124997 /nfs/dbraw/zinc/12/49/97/196124997.db2.gz ZMDYUWYPSKLRRA-CMPLNLGQSA-N 1 1 268.313 -0.023 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000284756557 196124998 /nfs/dbraw/zinc/12/49/98/196124998.db2.gz ZMDYUWYPSKLRRA-CMPLNLGQSA-N 1 1 268.313 -0.023 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CNc1nn(C)c(=O)n(C)c1=O ZINC000035179368 172032669 /nfs/dbraw/zinc/03/26/69/172032669.db2.gz OIEOMBALYZKEJK-VIFPVBQESA-N 1 1 267.333 -0.625 10 0 CBAEMO C[C@@H](NCCNS(C)(=O)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000037221748 173042228 /nfs/dbraw/zinc/04/22/28/173042228.db2.gz SOOJCEOBKBTHEP-GHMZBOCLSA-N 1 1 263.407 -0.145 10 0 CBAEMO C[C@@H](NCCNS(C)(=O)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221748 173042229 /nfs/dbraw/zinc/04/22/29/173042229.db2.gz SOOJCEOBKBTHEP-GHMZBOCLSA-N 1 1 263.407 -0.145 10 0 CBAEMO Cn1nnnc1-c1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037627898 173578604 /nfs/dbraw/zinc/57/86/04/173578604.db2.gz JRVQWFWAJDSOCD-VIFPVBQESA-N 1 1 289.299 -0.982 10 0 CBAEMO C[C@@H](c1ccncc1)N(C)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037823989 173778503 /nfs/dbraw/zinc/77/85/03/173778503.db2.gz YGKAEQRTMODPTB-WCBMZHEXSA-N 1 1 250.302 -0.196 10 0 CBAEMO CC[NH+](CC)CCN(C)CC(=O)N1CCNCC1 ZINC000038031495 174026410 /nfs/dbraw/zinc/02/64/10/174026410.db2.gz VLFVFQYWDNREPE-UHFFFAOYSA-N 1 1 256.394 -0.308 10 0 CBAEMO COC(=O)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000038101785 174117759 /nfs/dbraw/zinc/11/77/59/174117759.db2.gz KFTMRSMMYNSBFX-MRVPVSSYSA-N 1 1 259.331 -0.441 10 0 CBAEMO CN(C)Nc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756846 174396240 /nfs/dbraw/zinc/39/62/40/174396240.db2.gz LBPYYARGEGIAEJ-UHFFFAOYSA-N 1 1 266.353 -0.478 10 0 CBAEMO O=C(CN1CCC[N@H+](CCO)CC1)NCC(F)(F)F ZINC000071350219 176133404 /nfs/dbraw/zinc/13/34/04/176133404.db2.gz CNAFAQVRIACWQZ-UHFFFAOYSA-N 1 1 283.294 -0.335 10 0 CBAEMO [NH3+]CC[C@@H](O)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000071582802 176207829 /nfs/dbraw/zinc/20/78/29/176207829.db2.gz YDWGAQWEXZJGSH-CHWSQXEVSA-N 1 1 257.378 -0.507 10 0 CBAEMO CCN(CC)C[C@@H](C[NH3+])N1CCN(C(C)=O)CC1 ZINC000076663350 177050069 /nfs/dbraw/zinc/05/00/69/177050069.db2.gz RFJZQGGRYANMMQ-CYBMUJFWSA-N 1 1 256.394 -0.180 10 0 CBAEMO CCN(CC)C[C@H](C[NH3+])N1CCN(C(C)=O)CC1 ZINC000076663355 177050193 /nfs/dbraw/zinc/05/01/93/177050193.db2.gz RFJZQGGRYANMMQ-ZDUSSCGKSA-N 1 1 256.394 -0.180 10 0 CBAEMO O=C(NC[C@H]1OC[C@@H]([NH2+]C2COC2)[C@@H]1O)C1CCCC1 ZINC000077265339 177246518 /nfs/dbraw/zinc/24/65/18/177246518.db2.gz QZLJPRMKAZLDLO-UPJWGTAASA-N 1 1 284.356 -0.591 10 0 CBAEMO NC(=O)c1cccc(CNC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088371736 544433230 /nfs/dbraw/zinc/43/32/30/544433230.db2.gz XEQJWAKZMRACDB-NSHDSACASA-N 1 1 263.297 -0.610 10 0 CBAEMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000088371546 544434085 /nfs/dbraw/zinc/43/40/85/544434085.db2.gz RYJPIPTYWGZMSJ-NEPJUHHUSA-N 1 1 255.362 -0.179 10 0 CBAEMO O=C(NCCOCC(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC000088372536 544435521 /nfs/dbraw/zinc/43/55/21/544435521.db2.gz MZMOVUSNSPVJFB-ZETCQYMHSA-N 1 1 256.224 -0.330 10 0 CBAEMO COc1cc(NC(=O)[C@H]([NH3+])CC(N)=O)ccc1F ZINC000160314158 544474464 /nfs/dbraw/zinc/47/44/64/544474464.db2.gz HRYABAHKTIOWEY-MRVPVSSYSA-N 1 1 255.249 -0.025 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000177028754 544480529 /nfs/dbraw/zinc/48/05/29/544480529.db2.gz QGLQLAISXUREJN-WDEREUQCSA-N 1 1 296.371 -0.083 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC000173291518 544480551 /nfs/dbraw/zinc/48/05/51/544480551.db2.gz IHPUBDCTKRZDEP-WDEREUQCSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC000173291518 544480555 /nfs/dbraw/zinc/48/05/55/544480555.db2.gz IHPUBDCTKRZDEP-WDEREUQCSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC000173291518 544480556 /nfs/dbraw/zinc/48/05/56/544480556.db2.gz IHPUBDCTKRZDEP-WDEREUQCSA-N 1 1 266.345 -0.134 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCn2ccccc2=O)C1 ZINC000311654717 544528935 /nfs/dbraw/zinc/52/89/35/544528935.db2.gz UYUKIYUWUGZIBX-CYBMUJFWSA-N 1 1 265.313 -0.840 10 0 CBAEMO CCOC(=O)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371271 419475811 /nfs/dbraw/zinc/47/58/11/419475811.db2.gz VLTXSRPLCIBYDY-SNVBAGLBSA-N 1 1 271.317 -0.725 10 0 CBAEMO C[C@]1(C(=O)NC[C@H]2CN3CCN2CCC3)CCC[NH2+]1 ZINC000394379086 544578589 /nfs/dbraw/zinc/57/85/89/544578589.db2.gz BPGQNAMHLFYXQZ-GXTWGEPZSA-N 1 1 266.389 -0.365 10 0 CBAEMO CC[N@@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193157323 419542901 /nfs/dbraw/zinc/54/29/01/419542901.db2.gz BBDJCJOOBMMYSQ-NSHDSACASA-N 1 1 292.335 -0.042 10 0 CBAEMO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000393000316 544578754 /nfs/dbraw/zinc/57/87/54/544578754.db2.gz KFTRTKWPRZBZPA-QJPTWQEYSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000393000316 544578757 /nfs/dbraw/zinc/57/87/57/544578757.db2.gz KFTRTKWPRZBZPA-QJPTWQEYSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194524666 419551440 /nfs/dbraw/zinc/55/14/40/419551440.db2.gz CTACSCSBPIRXBU-CHWSQXEVSA-N 1 1 296.415 -0.488 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394381992 544580467 /nfs/dbraw/zinc/58/04/67/544580467.db2.gz OMSRCKBGUVWGIK-VXGBXAGGSA-N 1 1 254.378 -0.380 10 0 CBAEMO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCN1CCC2 ZINC000394393365 544581071 /nfs/dbraw/zinc/58/10/71/544581071.db2.gz YOILJULJBXEVSU-ZIAGYGMSSA-N 1 1 280.416 -0.118 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394393299 544581713 /nfs/dbraw/zinc/58/17/13/544581713.db2.gz XWROHXSDAKPXII-IHRRRGAJSA-N 1 1 280.416 -0.119 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394381990 544582022 /nfs/dbraw/zinc/58/20/22/544582022.db2.gz OMSRCKBGUVWGIK-RYUDHWBXSA-N 1 1 254.378 -0.380 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000245526981 419590749 /nfs/dbraw/zinc/59/07/49/419590749.db2.gz PQHAXNAINBXCBH-NEPJUHHUSA-N 1 1 293.371 -0.333 10 0 CBAEMO CO[C@]1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOC1 ZINC000405648408 544588425 /nfs/dbraw/zinc/58/84/25/544588425.db2.gz FOJSPHNSAUUBCV-DMDPSCGWSA-N 1 1 270.329 -0.931 10 0 CBAEMO CCS(=O)(=O)C1(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000662917402 419775952 /nfs/dbraw/zinc/77/59/52/419775952.db2.gz PYHLMFGYVUYSHU-VIFPVBQESA-N 1 1 276.358 -0.942 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@](C)(C(F)F)O1 ZINC000663004558 419807824 /nfs/dbraw/zinc/80/78/24/419807824.db2.gz MXWAPXTYBIINEP-OPVBNTEQSA-N 1 1 279.287 -0.540 10 0 CBAEMO C[C@@]1(C(F)F)CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000663010295 419810185 /nfs/dbraw/zinc/81/01/85/419810185.db2.gz SKTQEBLXQLSMQG-KWQFWETISA-N 1 1 264.272 -0.143 10 0 CBAEMO COc1c(N)[nH+]cnc1N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000664270703 419895727 /nfs/dbraw/zinc/89/57/27/419895727.db2.gz HTLNVIDWDMHSKC-RNFRBKRXSA-N 1 1 288.329 -0.709 10 0 CBAEMO Cc1cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)nn1C ZINC000671556097 544822395 /nfs/dbraw/zinc/82/23/95/544822395.db2.gz BGGWKOMPSXJZPL-LBPRGKRZSA-N 1 1 252.318 -0.459 10 0 CBAEMO Cc1cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)nn1C ZINC000671556097 544822400 /nfs/dbraw/zinc/82/24/00/544822400.db2.gz BGGWKOMPSXJZPL-LBPRGKRZSA-N 1 1 252.318 -0.459 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CN(C)CCO1 ZINC000653552641 420150127 /nfs/dbraw/zinc/15/01/27/420150127.db2.gz ZYAMYVDICVWCCG-KGLIPLIRSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000653552641 420150130 /nfs/dbraw/zinc/15/01/30/420150130.db2.gz ZYAMYVDICVWCCG-KGLIPLIRSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000653552641 420150134 /nfs/dbraw/zinc/15/01/34/420150134.db2.gz ZYAMYVDICVWCCG-KGLIPLIRSA-N 1 1 289.420 -0.812 10 0 CBAEMO c1nc2c(ncnc2N2CC[C@@H]3OCC[NH2+][C@H]3C2)[nH]1 ZINC000404226323 420225095 /nfs/dbraw/zinc/22/50/95/420225095.db2.gz NPDPKXQZPCBYPD-IUCAKERBSA-N 1 1 260.301 -0.080 10 0 CBAEMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399104624 420218612 /nfs/dbraw/zinc/21/86/12/420218612.db2.gz VNEFYNOFWCJOOS-GARJFASQSA-N 1 1 269.345 -0.075 10 0 CBAEMO CN1C[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1=O ZINC000657698002 420362009 /nfs/dbraw/zinc/36/20/09/420362009.db2.gz YYBBYNMBHVVYRD-SECBINFHSA-N 1 1 266.349 -0.004 10 0 CBAEMO Cn1nnc(Br)c1C1=C[C@H](N)C[NH2+]C1 ZINC000675078130 544925477 /nfs/dbraw/zinc/92/54/77/544925477.db2.gz MVIAHHSQEYGMKP-LURJTMIESA-N 1 1 258.123 -0.109 10 0 CBAEMO CS(=O)(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659870170 420474358 /nfs/dbraw/zinc/47/43/58/420474358.db2.gz DEXHUKWVSYFTPP-HBNTYKKESA-N 1 1 262.375 -0.087 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2C[C@H](O)C[C@@H]2CO)C[C@@H](C)O1 ZINC000660148232 420486143 /nfs/dbraw/zinc/48/61/43/420486143.db2.gz NUIQNSYRLIWVLH-FDYHWXHSSA-N 1 1 258.362 -0.477 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000311162332 262198117 /nfs/dbraw/zinc/19/81/17/262198117.db2.gz PVFOGGSQBQMESK-CHWSQXEVSA-N 1 1 260.378 -0.370 10 0 CBAEMO CCN(CC)C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367490502 276317365 /nfs/dbraw/zinc/31/73/65/276317365.db2.gz UGJBUYIVPKULHQ-GFCCVEGCSA-N 1 1 257.334 -0.833 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251004 545083294 /nfs/dbraw/zinc/08/32/94/545083294.db2.gz CGKUNFAGIPJDGV-JTQLQIEISA-N 1 1 291.373 -0.774 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251004 545083295 /nfs/dbraw/zinc/08/32/95/545083295.db2.gz CGKUNFAGIPJDGV-JTQLQIEISA-N 1 1 291.373 -0.774 10 0 CBAEMO CCOC(=O)c1nc(N)nc(N2CC[NH+](C)CC2)n1 ZINC000725270770 545083877 /nfs/dbraw/zinc/08/38/77/545083877.db2.gz SGJWWTUOAKSDGM-UHFFFAOYSA-N 1 1 266.305 -0.618 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037815179 277057531 /nfs/dbraw/zinc/05/75/31/277057531.db2.gz CWPBBAMKMWLHHZ-UWVGGRQHSA-N 1 1 257.359 -0.224 10 0 CBAEMO COCC[N@@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000116278034 277225627 /nfs/dbraw/zinc/22/56/27/277225627.db2.gz XRSYEOTUTADEMD-NWDGAFQWSA-N 1 1 255.362 -0.130 10 0 CBAEMO COCC[N@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000116278034 277225628 /nfs/dbraw/zinc/22/56/28/277225628.db2.gz XRSYEOTUTADEMD-NWDGAFQWSA-N 1 1 255.362 -0.130 10 0 CBAEMO COCCN1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262329103 277226561 /nfs/dbraw/zinc/22/65/61/277226561.db2.gz SDCURTKSHPYKNQ-LBPRGKRZSA-N 1 1 285.388 -0.421 10 0 CBAEMO C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000032022756 277887322 /nfs/dbraw/zinc/88/73/22/277887322.db2.gz AYZDDJLPUKTQPF-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCS1(=O)=O ZINC000262117506 288007441 /nfs/dbraw/zinc/00/74/41/288007441.db2.gz FRFOZCKBXHXRDL-BBBLOLIVSA-N 1 1 276.358 -0.991 10 0 CBAEMO Cc1nccnc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000095069617 279175222 /nfs/dbraw/zinc/17/52/22/279175222.db2.gz SSUNCQNAVBTNOA-QMMMGPOBSA-N 1 1 256.331 -0.233 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262313451 280058748 /nfs/dbraw/zinc/05/87/48/280058748.db2.gz QOVNAEHMLINZLW-QCNOEVLYSA-N 1 1 255.362 -0.038 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CCN1C[C@H](C)O ZINC000262824540 280352054 /nfs/dbraw/zinc/35/20/54/280352054.db2.gz XWNBSOVJLISDCA-YNEHKIRRSA-N 1 1 287.404 -0.346 10 0 CBAEMO C[C@@H]1COC[C@H](C)N1CC(=O)N1CC[NH+](C)CC1 ZINC000121125932 288378627 /nfs/dbraw/zinc/37/86/27/288378627.db2.gz VINQSLMXUPTCCZ-TXEJJXNPSA-N 1 1 255.362 -0.130 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000247470919 297097770 /nfs/dbraw/zinc/09/77/70/297097770.db2.gz RQQUFWYPZCELAN-MNOVXSKESA-N 1 1 289.401 -0.427 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN1CC(=O)NC1=O ZINC000176992104 335352229 /nfs/dbraw/zinc/35/22/29/335352229.db2.gz AWRVGLBUMRRJGD-JTQLQIEISA-N 1 1 282.344 -0.519 10 0 CBAEMO CCN[C@@H](CC[N@@H+](CCOC)[C@@H](C)COC)C(N)=O ZINC000062524336 520088028 /nfs/dbraw/zinc/08/80/28/520088028.db2.gz CIJBWLCDSPRTLB-RYUDHWBXSA-N 1 1 275.393 -0.177 10 0 CBAEMO CC[NH2+][C@@H](CCN(CCOC)[C@@H](C)COC)C(N)=O ZINC000062524336 520088030 /nfs/dbraw/zinc/08/80/30/520088030.db2.gz CIJBWLCDSPRTLB-RYUDHWBXSA-N 1 1 275.393 -0.177 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NN)nn2)C1 ZINC000051114506 521648150 /nfs/dbraw/zinc/64/81/50/521648150.db2.gz RBGBQYNXBLDCBJ-VIFPVBQESA-N 1 1 264.333 -0.024 10 0 CBAEMO COCCN(CCOC)CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062523903 523715336 /nfs/dbraw/zinc/71/53/36/523715336.db2.gz NTNAGLQCPXUJIK-LBPRGKRZSA-N 1 1 273.377 -0.423 10 0 CBAEMO CO[C@@H]1C[NH2+][C@H](C(=O)NCCN2CCCCC2)C1 ZINC000049575482 523741434 /nfs/dbraw/zinc/74/14/34/523741434.db2.gz JDSJHEIAHMGIEB-RYUDHWBXSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCNC(=O)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564844 523898744 /nfs/dbraw/zinc/89/87/44/523898744.db2.gz WKRZZRHLAOVFRC-VXGBXAGGSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCNC(=O)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049564844 523898751 /nfs/dbraw/zinc/89/87/51/523898751.db2.gz WKRZZRHLAOVFRC-VXGBXAGGSA-N 1 1 255.362 -0.035 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085685 523902373 /nfs/dbraw/zinc/90/23/73/523902373.db2.gz XGCZEKOWNVJENR-OLZOCXBDSA-N 1 1 268.405 -0.133 10 0 CBAEMO C[NH+]1CCN(c2nc(Cl)nc(-n3cncn3)n2)CC1 ZINC000061535456 523927600 /nfs/dbraw/zinc/92/76/00/523927600.db2.gz KLCVEEFZJQNAEK-UHFFFAOYSA-N 1 1 280.723 -0.143 10 0 CBAEMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050660225 523963161 /nfs/dbraw/zinc/96/31/61/523963161.db2.gz JVQXNUUUJMUNHU-VIFPVBQESA-N 1 1 270.358 -0.106 10 0 CBAEMO C[NH+](C)CC1CCN([C@@H]2CS(=O)(=O)C[C@H]2N)CC1 ZINC000054493299 524049658 /nfs/dbraw/zinc/04/96/58/524049658.db2.gz GITQCTYXXZHPJM-VXGBXAGGSA-N 1 1 275.418 -0.616 10 0 CBAEMO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)C[NH+]1CCCC1 ZINC000049164966 524077798 /nfs/dbraw/zinc/07/77/98/524077798.db2.gz HJTPNILFMVBZEE-NXEZZACHSA-N 1 1 256.350 -0.096 10 0 CBAEMO C[C@@H](Cc1ccsc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000049185112 524937892 /nfs/dbraw/zinc/93/78/92/524937892.db2.gz UUKTVCQUPNYDCU-IONNQARKSA-N 1 1 255.343 -0.002 10 0 CBAEMO O=C(C[NH2+][C@@H]1CCS(=O)(=O)C1)NC1CCOCC1 ZINC000062768341 526888872 /nfs/dbraw/zinc/88/88/72/526888872.db2.gz PEXPCJMASJFCSA-SNVBAGLBSA-N 1 1 276.358 -0.942 10 0 CBAEMO O=c1cc(C[N@H+]2CC[C@@H](O)C2)nc2scnn21 ZINC000061708962 527477798 /nfs/dbraw/zinc/47/77/98/527477798.db2.gz BSECNUSGOICNCW-MRVPVSSYSA-N 1 1 252.299 -0.282 10 0 CBAEMO O=c1cc(C[N@@H+]2CC[C@@H](O)C2)nc2scnn21 ZINC000061708962 527477803 /nfs/dbraw/zinc/47/78/03/527477803.db2.gz BSECNUSGOICNCW-MRVPVSSYSA-N 1 1 252.299 -0.282 10 0 CBAEMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000126184671 529036487 /nfs/dbraw/zinc/03/64/87/529036487.db2.gz HQOVMRUAUXFQDF-OCCSQVGLSA-N 1 1 296.415 -0.217 10 0 CBAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@@H]12)[C@@H](C)O ZINC000000899270 560179367 /nfs/dbraw/zinc/17/93/67/560179367.db2.gz SFVVQRJOGUKCEG-ZRQNBYAXSA-N 1 1 299.367 -0.327 10 0 in-vitro CBAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000119698064 582117680 /nfs/dbraw/zinc/11/76/80/582117680.db2.gz LCMXNWJJWRFBQV-NSHDSACASA-N 1 1 270.329 -0.582 10 0 CBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC2(C1)OCCO2 ZINC000119698064 582117681 /nfs/dbraw/zinc/11/76/81/582117681.db2.gz LCMXNWJJWRFBQV-NSHDSACASA-N 1 1 270.329 -0.582 10 0 CBAEMO COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1C ZINC000121804753 582118454 /nfs/dbraw/zinc/11/84/54/582118454.db2.gz KCTMJOBWIMIUIL-OUAUKWLOSA-N 1 1 286.376 -0.389 10 0 CBAEMO COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1C ZINC000121804753 582118455 /nfs/dbraw/zinc/11/84/55/582118455.db2.gz KCTMJOBWIMIUIL-OUAUKWLOSA-N 1 1 286.376 -0.389 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)no1 ZINC000123961773 582119632 /nfs/dbraw/zinc/11/96/32/582119632.db2.gz HVHJWMJSPIIGPR-DTWKUNHWSA-N 1 1 268.317 -0.095 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)no1 ZINC000123961773 582119633 /nfs/dbraw/zinc/11/96/33/582119633.db2.gz HVHJWMJSPIIGPR-DTWKUNHWSA-N 1 1 268.317 -0.095 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136209896 582125716 /nfs/dbraw/zinc/12/57/16/582125716.db2.gz MJSYIDZDFVPTFA-JSGCOSHPSA-N 1 1 268.405 -0.119 10 0 CBAEMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000300239947 582130502 /nfs/dbraw/zinc/13/05/02/582130502.db2.gz RDEFJLJQDXYHPA-YIZRAAEISA-N 1 1 254.286 -0.515 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000328504482 582130953 /nfs/dbraw/zinc/13/09/53/582130953.db2.gz ZAXPOCTZGDKZDE-BDAKNGLRSA-N 1 1 278.374 -0.697 10 0 CBAEMO C[N@H+]1CCC[C@]2(CC1)NC[C@]1(COCCN1)CO2 ZINC000757145409 582305171 /nfs/dbraw/zinc/30/51/71/582305171.db2.gz OTMQEELRQIOLIY-STQMWFEESA-N 1 1 255.362 -0.223 10 0 CBAEMO C[N@H+]1CCC[C@]2(CC(=O)O[C@H]2CS(N)(=O)=O)CC1 ZINC000757217223 582305359 /nfs/dbraw/zinc/30/53/59/582305359.db2.gz JBVRAFNPXFNLCZ-GXSJLCMTSA-N 1 1 276.358 -0.308 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCN(C)C(=O)C2)[N@H+](C)C1 ZINC000886035862 584430501 /nfs/dbraw/zinc/43/05/01/584430501.db2.gz FNZQYWACMDZSNU-QWRGUYRKSA-N 1 1 269.345 -0.604 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCN(C)C(=O)C2)[N@@H+](C)C1 ZINC000886035862 584430503 /nfs/dbraw/zinc/43/05/03/584430503.db2.gz FNZQYWACMDZSNU-QWRGUYRKSA-N 1 1 269.345 -0.604 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000901071938 584845088 /nfs/dbraw/zinc/84/50/88/584845088.db2.gz KVZGXVZSZWREQP-BREBYQMCSA-N 1 1 258.362 -0.035 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000034463807 655999819 /nfs/dbraw/zinc/99/98/19/655999819.db2.gz ASERYNDPCCWQTG-ZDUSSCGKSA-N 1 1 290.367 -0.467 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000037623278 656002151 /nfs/dbraw/zinc/00/21/51/656002151.db2.gz PVVJYDRXGVFKEI-MRVPVSSYSA-N 1 1 265.269 -0.401 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000037623353 656002300 /nfs/dbraw/zinc/00/23/00/656002300.db2.gz VNQWCSYFQUIHDM-ZETCQYMHSA-N 1 1 251.242 -0.444 10 0 CBAEMO COc1cc(NC(=O)[C@H]([NH3+])CC(N)=O)cc(OC)c1 ZINC000037622938 656002610 /nfs/dbraw/zinc/00/26/10/656002610.db2.gz BEDSYKOBWIPUFT-SNVBAGLBSA-N 1 1 267.285 -0.155 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000037623279 656002668 /nfs/dbraw/zinc/00/26/68/656002668.db2.gz PVVJYDRXGVFKEI-QMMMGPOBSA-N 1 1 265.269 -0.401 10 0 CBAEMO COc1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1F ZINC000037626163 656002814 /nfs/dbraw/zinc/00/28/14/656002814.db2.gz NTRHTARVKOVZKC-MRVPVSSYSA-N 1 1 255.249 -0.025 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2cccs2)CC1 ZINC000037800881 656003891 /nfs/dbraw/zinc/00/38/91/656003891.db2.gz WSULKTCUXNXQHD-NSHDSACASA-N 1 1 296.396 -0.405 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040861400 656006405 /nfs/dbraw/zinc/00/64/05/656006405.db2.gz SUYPYRKFDMFQHO-VXGBXAGGSA-N 1 1 289.401 -0.220 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000094996821 656061874 /nfs/dbraw/zinc/06/18/74/656061874.db2.gz RHLITBXJWWPIQC-ONGXEEELSA-N 1 1 295.339 -0.675 10 0 CBAEMO CC(C)N1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000172503030 656084241 /nfs/dbraw/zinc/08/42/41/656084241.db2.gz BBNJOHOUNQPKGT-LLVKDONJSA-N 1 1 294.355 -0.077 10 0 CBAEMO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000181376825 656091730 /nfs/dbraw/zinc/09/17/30/656091730.db2.gz WOORXCGSYTVVIG-VXGBXAGGSA-N 1 1 281.356 -0.255 10 0 CBAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)CO ZINC000182773558 656093111 /nfs/dbraw/zinc/09/31/11/656093111.db2.gz NZDRIAAJSZRGOE-NSHDSACASA-N 1 1 265.313 -0.701 10 0 CBAEMO CC(C)[C@@H](NC(=O)c1csc(C[NH3+])n1)C(N)=O ZINC000226337465 656106582 /nfs/dbraw/zinc/10/65/82/656106582.db2.gz YFXGPMKFGWMNGF-MRVPVSSYSA-N 1 1 256.331 -0.159 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CN1C(=O)C(=O)N(C)C1=O ZINC000246972447 656119084 /nfs/dbraw/zinc/11/90/84/656119084.db2.gz GSZHMHMEBQAATH-ZJUUUORDSA-N 1 1 280.328 -0.467 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC000247137386 656119606 /nfs/dbraw/zinc/11/96/06/656119606.db2.gz KTTPYLMAXRLUPP-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC000247137386 656119609 /nfs/dbraw/zinc/11/96/09/656119609.db2.gz KTTPYLMAXRLUPP-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CCO1 ZINC000252893681 656123704 /nfs/dbraw/zinc/12/37/04/656123704.db2.gz RHZSGNZOMSPWDW-NWDGAFQWSA-N 1 1 256.346 -0.062 10 0 CBAEMO CN1CCN(CCNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261581475 656124791 /nfs/dbraw/zinc/12/47/91/656124791.db2.gz GDAWNIXIHUINSF-CYBMUJFWSA-N 1 1 268.405 -0.118 10 0 CBAEMO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)CN ZINC000261549160 656124808 /nfs/dbraw/zinc/12/48/08/656124808.db2.gz OHLBSAMPXWSEGU-GFCCVEGCSA-N 1 1 292.383 -0.302 10 0 CBAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNC(=O)CN ZINC000261549160 656124810 /nfs/dbraw/zinc/12/48/10/656124810.db2.gz OHLBSAMPXWSEGU-GFCCVEGCSA-N 1 1 292.383 -0.302 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261594066 656125206 /nfs/dbraw/zinc/12/52/06/656125206.db2.gz NHUKRPQFKGVPBH-CHWSQXEVSA-N 1 1 268.405 -0.119 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCS(=O)(=O)CC1CC1 ZINC000261892871 656126950 /nfs/dbraw/zinc/12/69/50/656126950.db2.gz GTUAXHRVSJJHEY-KOLCDFICSA-N 1 1 290.385 -0.696 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000261939780 656127827 /nfs/dbraw/zinc/12/78/27/656127827.db2.gz MQJKYKCVXRBKMB-VQVTYTSYSA-N 1 1 256.224 -0.597 10 0 CBAEMO COC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000262019811 656128104 /nfs/dbraw/zinc/12/81/04/656128104.db2.gz AGLYMTHPYGNIMC-DGCLKSJQSA-N 1 1 287.404 -0.489 10 0 CBAEMO C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)N1CCOCC1 ZINC000262407226 656132227 /nfs/dbraw/zinc/13/22/27/656132227.db2.gz YXWGCDHIQHEZTB-TUAOUCFPSA-N 1 1 271.361 -0.800 10 0 CBAEMO CCOC(=O)/C=C\C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310946666 656144876 /nfs/dbraw/zinc/14/48/76/656144876.db2.gz XUHICDKSRBKEPL-FHMRSRPSSA-N 1 1 256.302 -0.582 10 0 CBAEMO O=C(N1CC[N@H+]2CCC[C@@H]2C1)C1(O)CCOCC1 ZINC000330019550 656149846 /nfs/dbraw/zinc/14/98/46/656149846.db2.gz VGDOOHJVHDIECK-LLVKDONJSA-N 1 1 254.330 -0.166 10 0 CBAEMO C[N@H+]1C[C@@H]2CN(Cc3noc(CN)n3)C[C@]2(C)C1 ZINC000702335547 656180324 /nfs/dbraw/zinc/18/03/24/656180324.db2.gz AARCWMFPISQHKJ-SKDRFNHKSA-N 1 1 251.334 -0.088 10 0 CBAEMO C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702419703 656180821 /nfs/dbraw/zinc/18/08/21/656180821.db2.gz WJNGITGBYSKNGT-UPJWGTAASA-N 1 1 268.405 -0.040 10 0 CBAEMO CC[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702653075 656181978 /nfs/dbraw/zinc/18/19/78/656181978.db2.gz DCSHGVWRDYYOSJ-GVXVVHGQSA-N 1 1 256.346 -0.016 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000710749171 656200673 /nfs/dbraw/zinc/20/06/73/656200673.db2.gz XFJGUIUOZKDHEO-TZMCWYRMSA-N 1 1 283.372 -0.702 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000710749171 656200674 /nfs/dbraw/zinc/20/06/74/656200674.db2.gz XFJGUIUOZKDHEO-TZMCWYRMSA-N 1 1 283.372 -0.702 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CNCCO1 ZINC000710755198 656200701 /nfs/dbraw/zinc/20/07/01/656200701.db2.gz MNTWVBWTNNOTQK-DGCLKSJQSA-N 1 1 271.361 -0.846 10 0 CBAEMO C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000712726731 656211393 /nfs/dbraw/zinc/21/13/93/656211393.db2.gz MVQMILRNSATJDF-MUWHJKNJSA-N 1 1 283.250 -0.631 10 0 CBAEMO O=S(=O)(c1ccns1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000717686426 656229544 /nfs/dbraw/zinc/22/95/44/656229544.db2.gz BYSGRABXTXXCCY-BDAKNGLRSA-N 1 1 289.382 -0.106 10 0 CBAEMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000907521942 656519454 /nfs/dbraw/zinc/51/94/54/656519454.db2.gz IINFNIKSAUREAI-FZMZJTMJSA-N 1 1 281.356 -0.822 10 0 CBAEMO C[C@H]1CC[C@@H](CNC(=O)CCNC(=O)CO)[N@H+]1C ZINC000907858277 656600056 /nfs/dbraw/zinc/60/00/56/656600056.db2.gz CUXPDEOCAQMMCB-UWVGGRQHSA-N 1 1 257.334 -0.916 10 0 CBAEMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000908061145 656633210 /nfs/dbraw/zinc/63/32/10/656633210.db2.gz YWRWPJJVAVZLTG-BFVZDQMLSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000908061145 656633213 /nfs/dbraw/zinc/63/32/13/656633213.db2.gz YWRWPJJVAVZLTG-BFVZDQMLSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909170855 656789325 /nfs/dbraw/zinc/78/93/25/656789325.db2.gz WKBWSGCIIOLTPG-DDHJBXDOSA-N 1 1 264.329 -0.232 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)O1 ZINC000909189399 656795291 /nfs/dbraw/zinc/79/52/91/656795291.db2.gz JENZFCZHMMISBH-VEGXAWMVSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)O1 ZINC000909189399 656795297 /nfs/dbraw/zinc/79/52/97/656795297.db2.gz JENZFCZHMMISBH-VEGXAWMVSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@@H]1CN(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)O1 ZINC000912598766 657287553 /nfs/dbraw/zinc/28/75/53/657287553.db2.gz GCTFLHBVLUOSQH-NEPJUHHUSA-N 1 1 273.377 -0.912 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](O)C[C@]2(C)CO)O1 ZINC000912653547 657306068 /nfs/dbraw/zinc/30/60/68/657306068.db2.gz JUQXQXYGCQOBQE-PRULPYPASA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](O)C[C@]2(C)CO)O1 ZINC000912653547 657306070 /nfs/dbraw/zinc/30/60/70/657306070.db2.gz JUQXQXYGCQOBQE-PRULPYPASA-N 1 1 272.345 -0.950 10 0 CBAEMO CC1(C)CC(=O)NCCN1C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913060930 657374902 /nfs/dbraw/zinc/37/49/02/657374902.db2.gz QJTQXCXNVUPIFY-NWDGAFQWSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186134 657412658 /nfs/dbraw/zinc/41/26/58/657412658.db2.gz ZYRNPLKZEYPIJO-LOWVWBTDSA-N 1 1 272.345 -0.731 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000929569898 659142987 /nfs/dbraw/zinc/14/29/87/659142987.db2.gz SJRBBOJULMGLPJ-JSGCOSHPSA-N 1 1 282.388 -0.331 10 0 CBAEMO C[C@H]1CC[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)[N@H+]1C ZINC000935732745 659840373 /nfs/dbraw/zinc/84/03/73/659840373.db2.gz WLSCRNUVTDJLDH-GUBZILKMSA-N 1 1 267.329 -0.362 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000247470930 300318273 /nfs/dbraw/zinc/31/82/73/300318273.db2.gz RQQUFWYPZCELAN-QWRGUYRKSA-N 1 1 289.401 -0.427 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085365390 179036326 /nfs/dbraw/zinc/03/63/26/179036326.db2.gz NPYWGCMVYCHUSA-RYUDHWBXSA-N 1 1 254.378 -0.523 10 0 CBAEMO Cc1nnc([C@H](C)NC(=O)C2CC[NH+](CC(N)=O)CC2)o1 ZINC000091988507 180299184 /nfs/dbraw/zinc/29/91/84/180299184.db2.gz CAJDDFYMAIHNPR-QMMMGPOBSA-N 1 1 295.343 -0.247 10 0 CBAEMO COCCN1CC[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1C ZINC000105833777 186075897 /nfs/dbraw/zinc/07/58/97/186075897.db2.gz AEFDLOLVFIBBOL-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@@H+]1CCN(CCC(=O)N2CCOCC2)C[C@H]1C ZINC000105833777 186075898 /nfs/dbraw/zinc/07/58/98/186075898.db2.gz AEFDLOLVFIBBOL-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@H+]1CCN(CCC(=O)N2CCOCC2)C[C@H]1C ZINC000105833777 186075900 /nfs/dbraw/zinc/07/59/00/186075900.db2.gz AEFDLOLVFIBBOL-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC2CC2)C[C@@H]1C ZINC000105832142 186077134 /nfs/dbraw/zinc/07/71/34/186077134.db2.gz YXILRGUNPPBRCA-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC2CC2)C[C@@H]1C ZINC000105832142 186077135 /nfs/dbraw/zinc/07/71/35/186077135.db2.gz YXILRGUNPPBRCA-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCOC)C1 ZINC000110110023 186285760 /nfs/dbraw/zinc/28/57/60/186285760.db2.gz MHRCGSXNVUFQAR-LLVKDONJSA-N 1 1 279.406 -0.117 10 0 CBAEMO Cc1ccc2c(c1)nnn2C[NH+](CCO)CCO ZINC000034164233 351384938 /nfs/dbraw/zinc/38/49/38/351384938.db2.gz HHYPDQBCLQZKLI-UHFFFAOYSA-N 1 1 250.302 -0.016 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@@H]1CCCO)N1CCNC1=O ZINC000052762059 351521096 /nfs/dbraw/zinc/52/10/96/351521096.db2.gz ZISBRQDDQDYSCP-SNVBAGLBSA-N 1 1 255.318 -0.225 10 0 CBAEMO CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000062115882 351574717 /nfs/dbraw/zinc/57/47/17/351574717.db2.gz HXATUGDCBWVEJQ-UONOGXRCSA-N 1 1 282.432 -0.016 10 0 CBAEMO C[NH+](C)C[C@]1(O)CCN(c2ncc3nc[nH]c3n2)C1 ZINC000072429522 351646541 /nfs/dbraw/zinc/64/65/41/351646541.db2.gz DNUPXJDYEVEPFH-GFCCVEGCSA-N 1 1 262.317 -0.144 10 0 CBAEMO CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088357826 351724204 /nfs/dbraw/zinc/72/42/04/351724204.db2.gz ITZSHNYZUFRHLX-WDEREUQCSA-N 1 1 270.329 -0.224 10 0 CBAEMO CCOC(=O)C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088357881 351724517 /nfs/dbraw/zinc/72/45/17/351724517.db2.gz HHZKMHLFUBRAKD-NSHDSACASA-N 1 1 270.329 -0.224 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000091669419 351746048 /nfs/dbraw/zinc/74/60/48/351746048.db2.gz NGPVFSRVZSKLDK-QMMMGPOBSA-N 1 1 270.358 -0.338 10 0 CBAEMO CNC(=O)CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915293 351793151 /nfs/dbraw/zinc/79/31/51/351793151.db2.gz UOIXFUOXDNNERM-AWEZNQCLSA-N 1 1 298.431 -0.541 10 0 CBAEMO C[C@@]1(O)[C@H](n2ccc3c2nc[nH+]c3N)O[C@H](CO)[C@@H]1O ZINC000106386379 351794252 /nfs/dbraw/zinc/79/42/52/351794252.db2.gz IRZRJANZDIOOIF-FCMYFTRRSA-N 1 1 280.284 -0.985 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110361806 351799341 /nfs/dbraw/zinc/79/93/41/351799341.db2.gz STZVDDDUBVIWDV-NSHDSACASA-N 1 1 269.345 -0.697 10 0 CBAEMO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000094460820 351764630 /nfs/dbraw/zinc/76/46/30/351764630.db2.gz SNMKPBAQIUIMSS-CYBMUJFWSA-N 1 1 266.389 -0.412 10 0 CBAEMO O=C(CCN1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000094460820 351764633 /nfs/dbraw/zinc/76/46/33/351764633.db2.gz SNMKPBAQIUIMSS-CYBMUJFWSA-N 1 1 266.389 -0.412 10 0 CBAEMO Cc1ccnc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)n1 ZINC000095069639 351767713 /nfs/dbraw/zinc/76/77/13/351767713.db2.gz BAAVDWRZTUMIEN-VIFPVBQESA-N 1 1 256.331 -0.233 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CCNC(N)=O)C[C@H]1C ZINC000117424745 351826294 /nfs/dbraw/zinc/82/62/94/351826294.db2.gz BFHMRJNBZGNUHQ-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CCNC(N)=O)C[C@H]1C ZINC000117424745 351826297 /nfs/dbraw/zinc/82/62/97/351826297.db2.gz BFHMRJNBZGNUHQ-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(N)=O)CC2)C1 ZINC000117467805 351826410 /nfs/dbraw/zinc/82/64/10/351826410.db2.gz PTPQXKULNVJPRN-LBPRGKRZSA-N 1 1 270.377 -0.208 10 0 CBAEMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000113499461 351813944 /nfs/dbraw/zinc/81/39/44/351813944.db2.gz VURGXGPLAKQQJZ-WDEREUQCSA-N 1 1 269.345 -0.691 10 0 CBAEMO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000113499461 351813945 /nfs/dbraw/zinc/81/39/45/351813945.db2.gz VURGXGPLAKQQJZ-WDEREUQCSA-N 1 1 269.345 -0.691 10 0 CBAEMO COC[C@H](O)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000126628118 351862097 /nfs/dbraw/zinc/86/20/97/351862097.db2.gz GIEMVEQBIRGZMG-LLVKDONJSA-N 1 1 292.343 -0.746 10 0 CBAEMO NC(=O)[C@@H]([NH3+])Cn1cc(Br)ccc1=O ZINC000127805950 351863946 /nfs/dbraw/zinc/86/39/46/351863946.db2.gz YDYCQHJIXMSRIP-LURJTMIESA-N 1 1 260.091 -0.577 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000153891983 351944218 /nfs/dbraw/zinc/94/42/18/351944218.db2.gz ZAAUQFLUYKDALC-UTLUCORTSA-N 1 1 282.344 -0.571 10 0 CBAEMO CN1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000131204812 351883908 /nfs/dbraw/zinc/88/39/08/351883908.db2.gz YLFRVAQTJPPGBO-UHFFFAOYSA-N 1 1 268.405 -0.166 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCC(=O)N(C)C)CC1 ZINC000133698060 351901061 /nfs/dbraw/zinc/90/10/61/351901061.db2.gz BBTNGDFBCDNVAO-NSHDSACASA-N 1 1 286.376 -0.827 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000134726711 351908576 /nfs/dbraw/zinc/90/85/76/351908576.db2.gz CKOPZXFEQGMSFS-VXGBXAGGSA-N 1 1 283.372 -0.214 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000134726736 351908851 /nfs/dbraw/zinc/90/88/51/351908851.db2.gz CKOPZXFEQGMSFS-NWDGAFQWSA-N 1 1 283.372 -0.214 10 0 CBAEMO COC[C@H]([NH3+])C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000159649582 351965054 /nfs/dbraw/zinc/96/50/54/351965054.db2.gz AYHHUEFNIHZYAU-QMMMGPOBSA-N 1 1 273.314 -0.603 10 0 CBAEMO NS(=O)(=O)c1ccc(NCC(F)(F)C[NH3+])nc1 ZINC000162683567 351978330 /nfs/dbraw/zinc/97/83/30/351978330.db2.gz YTPAUTUUYRBMOI-UHFFFAOYSA-N 1 1 266.273 -0.265 10 0 CBAEMO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000167015066 351988963 /nfs/dbraw/zinc/98/89/63/351988963.db2.gz PLIFHQULERLSCL-QWHCGFSZSA-N 1 1 286.372 -0.293 10 0 CBAEMO CC(C)NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173942840 352043366 /nfs/dbraw/zinc/04/33/66/352043366.db2.gz QCZPJZHSPRIYRL-GFCCVEGCSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CS(=O)(=O)NC ZINC000175221480 352054776 /nfs/dbraw/zinc/05/47/76/352054776.db2.gz PFRAOVCHCUREEQ-GHMZBOCLSA-N 1 1 289.401 -0.379 10 0 CBAEMO C[C@H]1CN(C(=O)NCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175628890 352057747 /nfs/dbraw/zinc/05/77/47/352057747.db2.gz WQVIQLRXBOPNDK-NWDGAFQWSA-N 1 1 298.387 -0.563 10 0 CBAEMO O=C1CNC(=O)N1CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000177757747 352075498 /nfs/dbraw/zinc/07/54/98/352075498.db2.gz CPIWQSNDUGKEDO-NSHDSACASA-N 1 1 266.345 -0.292 10 0 CBAEMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171749742 352016194 /nfs/dbraw/zinc/01/61/94/352016194.db2.gz NOCJHLHJEOXWEO-ZIAGYGMSSA-N 1 1 297.447 -0.032 10 0 CBAEMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000171883208 352018093 /nfs/dbraw/zinc/01/80/93/352018093.db2.gz UBBFXDIHIHNCIL-LLVKDONJSA-N 1 1 271.361 -0.587 10 0 CBAEMO CS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900115 352018122 /nfs/dbraw/zinc/01/81/22/352018122.db2.gz HJIIDTKSYRPMLP-SNVBAGLBSA-N 1 1 290.389 -0.975 10 0 CBAEMO CN(C)C[C@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000172196474 352022404 /nfs/dbraw/zinc/02/24/04/352022404.db2.gz JPFGMHUUVCRUIM-SNVBAGLBSA-N 1 1 256.350 -0.155 10 0 CBAEMO CN(C)C[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000172196474 352022408 /nfs/dbraw/zinc/02/24/08/352022408.db2.gz JPFGMHUUVCRUIM-SNVBAGLBSA-N 1 1 256.350 -0.155 10 0 CBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000186181263 352124486 /nfs/dbraw/zinc/12/44/86/352124486.db2.gz JVRIOVBSWJBQJC-NSHDSACASA-N 1 1 268.361 -0.046 10 0 CBAEMO COC(=O)[C@@]1(C)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000186342972 352126832 /nfs/dbraw/zinc/12/68/32/352126832.db2.gz JEKNZTFFGJPQDO-SNVBAGLBSA-N 1 1 264.347 -0.308 10 0 CBAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCCS(N)(=O)=O ZINC000186342972 352126833 /nfs/dbraw/zinc/12/68/33/352126833.db2.gz JEKNZTFFGJPQDO-SNVBAGLBSA-N 1 1 264.347 -0.308 10 0 CBAEMO CCS(=O)(=O)NCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179342745 352089137 /nfs/dbraw/zinc/08/91/37/352089137.db2.gz NQENWQABDXAUHW-JTQLQIEISA-N 1 1 275.374 -0.768 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000180514845 352094774 /nfs/dbraw/zinc/09/47/74/352094774.db2.gz PUTLVPHUJVBICP-CQSZACIVSA-N 1 1 296.415 -0.833 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2noc(C)n2)CC1 ZINC000181841148 352102322 /nfs/dbraw/zinc/10/23/22/352102322.db2.gz NJXSAYSWRJBGJE-NSHDSACASA-N 1 1 297.359 -0.024 10 0 CBAEMO NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184724121 352113584 /nfs/dbraw/zinc/11/35/84/352113584.db2.gz RLYPTBMIXWWXME-UTUOFQBUSA-N 1 1 250.298 -0.360 10 0 CBAEMO NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184724121 352113586 /nfs/dbraw/zinc/11/35/86/352113586.db2.gz RLYPTBMIXWWXME-UTUOFQBUSA-N 1 1 250.298 -0.360 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000189308996 352167357 /nfs/dbraw/zinc/16/73/57/352167357.db2.gz JBWDYBNUHZJYIF-MRVPVSSYSA-N 1 1 256.306 -0.828 10 0 CBAEMO COC(=O)Cn1cc(CC[N@@H+]2CCCNC(=O)[C@H]2C)nn1 ZINC000189334859 352167472 /nfs/dbraw/zinc/16/74/72/352167472.db2.gz RUOCQIPLWNAFJO-SNVBAGLBSA-N 1 1 295.343 -0.796 10 0 CBAEMO COC(=O)Cn1cc(CC[N@H+]2CCCNC(=O)[C@H]2C)nn1 ZINC000189334859 352167475 /nfs/dbraw/zinc/16/74/75/352167475.db2.gz RUOCQIPLWNAFJO-SNVBAGLBSA-N 1 1 295.343 -0.796 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCN1CCOCC1 ZINC000189293132 352167603 /nfs/dbraw/zinc/16/76/03/352167603.db2.gz DWYOVABWSILDMW-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000189456965 352170330 /nfs/dbraw/zinc/17/03/30/352170330.db2.gz VIXPSALCUPHGJR-SNVBAGLBSA-N 1 1 296.327 -0.472 10 0 CBAEMO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189753452 352173814 /nfs/dbraw/zinc/17/38/14/352173814.db2.gz QWGUVNFXWWETCD-DCAQKATOSA-N 1 1 270.329 -0.680 10 0 CBAEMO Cn1cc(C[N@@H+]2CCCN(Cc3nnn(C)n3)CC2)cn1 ZINC000194445622 352215410 /nfs/dbraw/zinc/21/54/10/352215410.db2.gz RCSMIZBEKMNOKT-UHFFFAOYSA-N 1 1 290.375 -0.349 10 0 CBAEMO Cn1cc(C[N@H+]2CCCN(Cc3nnn(C)n3)CC2)cn1 ZINC000194445622 352215412 /nfs/dbraw/zinc/21/54/12/352215412.db2.gz RCSMIZBEKMNOKT-UHFFFAOYSA-N 1 1 290.375 -0.349 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000195131983 352221140 /nfs/dbraw/zinc/22/11/40/352221140.db2.gz JVSRGKSZFKLYPT-ZDUSSCGKSA-N 1 1 288.388 -0.045 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000195131983 352221145 /nfs/dbraw/zinc/22/11/45/352221145.db2.gz JVSRGKSZFKLYPT-ZDUSSCGKSA-N 1 1 288.388 -0.045 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195335231 352226214 /nfs/dbraw/zinc/22/62/14/352226214.db2.gz TUJLOWNCPSPSFH-VHSXEESVSA-N 1 1 275.374 -0.769 10 0 CBAEMO COC(=O)CNC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513361 352228027 /nfs/dbraw/zinc/22/80/27/352228027.db2.gz WFFPGGCDHXBLAD-UHFFFAOYSA-N 1 1 280.328 -0.122 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000224165407 352246231 /nfs/dbraw/zinc/24/62/31/352246231.db2.gz XZQBSNAEUPARBB-HBNTYKKESA-N 1 1 269.345 -0.428 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000245453177 352320774 /nfs/dbraw/zinc/32/07/74/352320774.db2.gz FIDMJNFTRZEZAD-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000245453177 352320776 /nfs/dbraw/zinc/32/07/76/352320776.db2.gz FIDMJNFTRZEZAD-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO O=C(NCCC[N@@H+]1C[C@H](O)C[C@@H]1CO)C(F)(F)F ZINC000248387137 352351405 /nfs/dbraw/zinc/35/14/05/352351405.db2.gz AGFULSPFOGLNFB-HTQZYQBOSA-N 1 1 270.251 -0.518 10 0 CBAEMO CC[C@H]1CN([C@H]2CCNC2=O)CC[N@H+]1CCOC ZINC000245671070 352322446 /nfs/dbraw/zinc/32/24/46/352322446.db2.gz DJBVYSPEGUDZEO-RYUDHWBXSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[C@@H]1CN([C@H]2CCNC2=O)CC[N@H+]1CCOC ZINC000245671069 352322576 /nfs/dbraw/zinc/32/25/76/352322576.db2.gz DJBVYSPEGUDZEO-NEPJUHHUSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000245933966 352326709 /nfs/dbraw/zinc/32/67/09/352326709.db2.gz ZAAUQFLUYKDALC-LPEHRKFASA-N 1 1 282.344 -0.571 10 0 CBAEMO CCS(=O)(=O)NCCN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246025721 352327563 /nfs/dbraw/zinc/32/75/63/352327563.db2.gz NFDXGXAVOINOFF-LBPRGKRZSA-N 1 1 293.433 -0.422 10 0 CBAEMO Cn1c(CN2CC[N@H+]3CCCC[C@H]3C2)cc(=O)n(C)c1=O ZINC000246163109 352329406 /nfs/dbraw/zinc/32/94/06/352329406.db2.gz ICMUUCJKNLKACZ-LBPRGKRZSA-N 1 1 292.383 -0.246 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000246735423 352336917 /nfs/dbraw/zinc/33/69/17/352336917.db2.gz MMTJOCWYCRUFEW-MNOVXSKESA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000246735423 352336920 /nfs/dbraw/zinc/33/69/20/352336920.db2.gz MMTJOCWYCRUFEW-MNOVXSKESA-N 1 1 296.371 -0.492 10 0 CBAEMO COCCOCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246932602 352339841 /nfs/dbraw/zinc/33/98/41/352339841.db2.gz ZMHTZTSPOSCHSB-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1C ZINC000247022785 352340787 /nfs/dbraw/zinc/34/07/87/352340787.db2.gz CVJBASXLPDKYSB-UONOGXRCSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1C ZINC000247022785 352340790 /nfs/dbraw/zinc/34/07/90/352340790.db2.gz CVJBASXLPDKYSB-UONOGXRCSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000247022805 352341993 /nfs/dbraw/zinc/34/19/93/352341993.db2.gz CVJBASXLPDKYSB-ZIAGYGMSSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000247022805 352341997 /nfs/dbraw/zinc/34/19/97/352341997.db2.gz CVJBASXLPDKYSB-ZIAGYGMSSA-N 1 1 299.415 -0.066 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000247158828 352343512 /nfs/dbraw/zinc/34/35/12/352343512.db2.gz OBEZPLNINKSOTM-STQMWFEESA-N 1 1 284.404 -0.042 10 0 CBAEMO CC(=O)NCCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247113010 352344118 /nfs/dbraw/zinc/34/41/18/352344118.db2.gz JBJTZUKOVVBAEO-RYUDHWBXSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247113010 352344120 /nfs/dbraw/zinc/34/41/20/352344120.db2.gz JBJTZUKOVVBAEO-RYUDHWBXSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247113010 352344123 /nfs/dbraw/zinc/34/41/23/352344123.db2.gz JBJTZUKOVVBAEO-RYUDHWBXSA-N 1 1 257.378 -0.101 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC000247542908 352347426 /nfs/dbraw/zinc/34/74/26/352347426.db2.gz YOSCDEHTQKJNJH-UWVGGRQHSA-N 1 1 280.328 -0.767 10 0 CBAEMO O=C1CCCN1C[C@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000247483862 352347551 /nfs/dbraw/zinc/34/75/51/352347551.db2.gz KFIYTCGBKGPTHL-CHWSQXEVSA-N 1 1 267.373 -0.250 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247958419 352349926 /nfs/dbraw/zinc/34/99/26/352349926.db2.gz FXZIRNFVNLIFCT-SMDDNHRTSA-N 1 1 284.356 -0.097 10 0 CBAEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCNC(=O)C1 ZINC000248163184 352350175 /nfs/dbraw/zinc/35/01/75/352350175.db2.gz SMEAAMMITIWHRW-IUODEOHRSA-N 1 1 295.383 -0.428 10 0 CBAEMO NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249357287 352364582 /nfs/dbraw/zinc/36/45/82/352364582.db2.gz RLYPTBMIXWWXME-WOPDTQHZSA-N 1 1 250.298 -0.360 10 0 CBAEMO NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249357287 352364585 /nfs/dbraw/zinc/36/45/85/352364585.db2.gz RLYPTBMIXWWXME-WOPDTQHZSA-N 1 1 250.298 -0.360 10 0 CBAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000249391195 352364669 /nfs/dbraw/zinc/36/46/69/352364669.db2.gz QVRGVDFJFNRJHR-WDEREUQCSA-N 1 1 279.406 -0.348 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC(=O)NC(C)(C)C ZINC000261911162 352399782 /nfs/dbraw/zinc/39/97/82/352399782.db2.gz IZRLWYRQLABBLR-KOLCDFICSA-N 1 1 271.361 -0.216 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000261897442 352399898 /nfs/dbraw/zinc/39/98/98/352399898.db2.gz ABALZYKNDRZLCW-ZNSHCXBVSA-N 1 1 290.385 -0.603 10 0 CBAEMO COCC[N@H+]1CCN(Cc2noc(CN)n2)C[C@@H]1C ZINC000261893670 352400061 /nfs/dbraw/zinc/40/00/61/352400061.db2.gz AQFFADCYJCLBFT-JTQLQIEISA-N 1 1 269.349 -0.319 10 0 CBAEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2)C1 ZINC000250518908 352373271 /nfs/dbraw/zinc/37/32/71/352373271.db2.gz RYJPIPTYWGZMSJ-NWDGAFQWSA-N 1 1 255.362 -0.179 10 0 CBAEMO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000251935882 352376624 /nfs/dbraw/zinc/37/66/24/352376624.db2.gz ZDWUAZQWHPUMOE-NEPJUHHUSA-N 1 1 292.387 -0.064 10 0 CBAEMO Cn1cc(C[N@H+]2C[C@@H](CO)[C@H](C(=O)NC3CC3)C2)cn1 ZINC000253415149 352382625 /nfs/dbraw/zinc/38/26/25/352382625.db2.gz ZULTVOHOQSKYHI-WCQYABFASA-N 1 1 278.356 -0.261 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 ZINC000261559626 352388372 /nfs/dbraw/zinc/38/83/72/352388372.db2.gz DVBLPYAXRHQMAC-KXUCPTDWSA-N 1 1 252.318 -0.793 10 0 CBAEMO Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCO2)[nH]1 ZINC000261837656 352397243 /nfs/dbraw/zinc/39/72/43/352397243.db2.gz ZLNUQDIPXSFTGY-ZJUUUORDSA-N 1 1 265.317 -0.235 10 0 CBAEMO COCCN(CCOC)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261877204 352398322 /nfs/dbraw/zinc/39/83/22/352398322.db2.gz DUJQEUPDKXDUEZ-MNOVXSKESA-N 1 1 260.334 -0.515 10 0 CBAEMO [NH3+]Cc1nc(CN2CCN(CC(F)F)CC2)no1 ZINC000261864732 352398784 /nfs/dbraw/zinc/39/87/84/352398784.db2.gz WRXPVCRRDDPGQI-UHFFFAOYSA-N 1 1 261.276 -0.089 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@H]1C ZINC000262321272 352416041 /nfs/dbraw/zinc/41/60/41/352416041.db2.gz RHYSWIOPBUGMDI-LPWJVIDDSA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@H]1C ZINC000262321272 352416043 /nfs/dbraw/zinc/41/60/43/352416043.db2.gz RHYSWIOPBUGMDI-LPWJVIDDSA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@H]([C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)N1CCOCC1 ZINC000262383654 352419027 /nfs/dbraw/zinc/41/90/27/352419027.db2.gz XFPMMXMTLPDMQX-LOWDOPEQSA-N 1 1 285.388 -0.411 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C)(C)N1CCOCC1 ZINC000262390893 352420227 /nfs/dbraw/zinc/42/02/27/352420227.db2.gz XWYTZTQTPQBXIK-NEPJUHHUSA-N 1 1 285.388 -0.410 10 0 CBAEMO COC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000262555358 352426624 /nfs/dbraw/zinc/42/66/24/352426624.db2.gz PIUHDSBXPOQPLW-JTQLQIEISA-N 1 1 284.337 -0.071 10 0 CBAEMO CCC[C@@H](NC(N)=O)C(=O)NCC(F)(F)C[NH3+] ZINC000262726944 352431327 /nfs/dbraw/zinc/43/13/27/352431327.db2.gz ZQNGOJRLEXZKMG-ZCFIWIBFSA-N 1 1 252.265 -0.466 10 0 CBAEMO O=C(CC[N@H+]1CCC[C@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000262019556 352403411 /nfs/dbraw/zinc/40/34/11/352403411.db2.gz GBWFOUSFVFZNAH-ZDUSSCGKSA-N 1 1 292.387 -0.263 10 0 CBAEMO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCNCC1 ZINC000262019556 352403412 /nfs/dbraw/zinc/40/34/12/352403412.db2.gz GBWFOUSFVFZNAH-ZDUSSCGKSA-N 1 1 292.387 -0.263 10 0 CBAEMO [NH3+]C[C@@H](O)CNc1nc[nH]c(=O)c1Br ZINC000307249755 352753356 /nfs/dbraw/zinc/75/33/56/352753356.db2.gz OVVSQHSIFCCAIO-SCSAIBSYSA-N 1 1 263.095 -0.324 10 0 CBAEMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C(CO)CO ZINC000307450170 352753467 /nfs/dbraw/zinc/75/34/67/352753467.db2.gz BPNFOVQSSSAANS-UHFFFAOYSA-N 1 1 278.308 -0.432 10 0 CBAEMO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000310391860 352759280 /nfs/dbraw/zinc/75/92/80/352759280.db2.gz LERCWMXAEOYZMI-JVHMLUBASA-N 1 1 256.331 -0.029 10 0 CBAEMO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ncc[nH]1 ZINC000310305829 352759394 /nfs/dbraw/zinc/75/93/94/352759394.db2.gz VKBNTIJCCMQZPC-SECBINFHSA-N 1 1 258.347 -0.018 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ncc[nH]1 ZINC000310305829 352759396 /nfs/dbraw/zinc/75/93/96/352759396.db2.gz VKBNTIJCCMQZPC-SECBINFHSA-N 1 1 258.347 -0.018 10 0 CBAEMO CCOC(=O)COCC[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000310724729 352761288 /nfs/dbraw/zinc/76/12/88/352761288.db2.gz BRASZTGKUGZDAP-GHMZBOCLSA-N 1 1 261.318 -0.352 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000311630102 352769523 /nfs/dbraw/zinc/76/95/23/352769523.db2.gz JAIUWPRDHVVYJC-UMSGYPCISA-N 1 1 277.361 -0.520 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](CCO)C1 ZINC000336654726 353045156 /nfs/dbraw/zinc/04/51/56/353045156.db2.gz KDUCWBDXIYRBOW-JTQLQIEISA-N 1 1 250.364 -0.418 10 0 CBAEMO OCC[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000336734620 353050481 /nfs/dbraw/zinc/05/04/81/353050481.db2.gz WGEJMJBNAZGZRC-QWHCGFSZSA-N 1 1 258.362 -0.616 10 0 CBAEMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)C1 ZINC000152443029 188019209 /nfs/dbraw/zinc/01/92/09/188019209.db2.gz OZZTVSGWEKCQDA-SNVBAGLBSA-N 1 1 257.334 -0.793 10 0 CBAEMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152562522 188028718 /nfs/dbraw/zinc/02/87/18/188028718.db2.gz COZNDUFPYIDFLG-JTQLQIEISA-N 1 1 264.285 -0.270 10 0 CBAEMO NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152562522 188028719 /nfs/dbraw/zinc/02/87/19/188028719.db2.gz COZNDUFPYIDFLG-JTQLQIEISA-N 1 1 264.285 -0.270 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152573196 188029485 /nfs/dbraw/zinc/02/94/85/188029485.db2.gz KLNIGGSGTAMJDR-NSHDSACASA-N 1 1 278.312 -0.010 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152573196 188029487 /nfs/dbraw/zinc/02/94/87/188029487.db2.gz KLNIGGSGTAMJDR-NSHDSACASA-N 1 1 278.312 -0.010 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCC[C@@H]1O ZINC000352660164 353499701 /nfs/dbraw/zinc/49/97/01/353499701.db2.gz MYEJUSKRKQLSOZ-AVGNSLFASA-N 1 1 258.362 -0.475 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000367026877 353679034 /nfs/dbraw/zinc/67/90/34/353679034.db2.gz OZDGBJOCXDCWEF-FVCCEPFGSA-N 1 1 286.372 -0.296 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000367026877 353679035 /nfs/dbraw/zinc/67/90/35/353679035.db2.gz OZDGBJOCXDCWEF-FVCCEPFGSA-N 1 1 286.372 -0.296 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000383892202 353785616 /nfs/dbraw/zinc/78/56/16/353785616.db2.gz JZTNUVNHTJTCOW-OLZOCXBDSA-N 1 1 288.388 -0.190 10 0 CBAEMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375495671 353762034 /nfs/dbraw/zinc/76/20/34/353762034.db2.gz ACFLJJCATYLIKC-FZMZJTMJSA-N 1 1 283.372 -0.300 10 0 CBAEMO COC(=O)c1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000381119771 353783212 /nfs/dbraw/zinc/78/32/12/353783212.db2.gz AFHYJVUJHVVPNY-VIFPVBQESA-N 1 1 254.290 -0.480 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C ZINC000374227665 353742959 /nfs/dbraw/zinc/74/29/59/353742959.db2.gz ZPYBGOXRTAZRLZ-XUJVJEKNSA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C ZINC000374227665 353742962 /nfs/dbraw/zinc/74/29/62/353742962.db2.gz ZPYBGOXRTAZRLZ-XUJVJEKNSA-N 1 1 297.399 -0.184 10 0 CBAEMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000398942313 353797390 /nfs/dbraw/zinc/79/73/90/353797390.db2.gz KILWALRLNREGSZ-MNOVXSKESA-N 1 1 269.345 -0.651 10 0 CBAEMO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404168460 353805539 /nfs/dbraw/zinc/80/55/39/353805539.db2.gz UQELWVICYOMWEO-NEPJUHHUSA-N 1 1 292.401 -0.196 10 0 CBAEMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000386343918 353788339 /nfs/dbraw/zinc/78/83/39/353788339.db2.gz LZCYIYVWIJAANX-LBPRGKRZSA-N 1 1 257.334 -0.835 10 0 CBAEMO COC(=O)C1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000539915203 354619206 /nfs/dbraw/zinc/61/92/06/354619206.db2.gz FSVJWZLREYEEBJ-JTQLQIEISA-N 1 1 270.329 -0.393 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000556726335 354681118 /nfs/dbraw/zinc/68/11/18/354681118.db2.gz IRLHRRRTKPTOCL-YPMHNXCESA-N 1 1 272.345 -0.506 10 0 CBAEMO CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000599289313 355476540 /nfs/dbraw/zinc/47/65/40/355476540.db2.gz COCBACBTQJXPQA-VXGBXAGGSA-N 1 1 274.361 -0.437 10 0 CBAEMO COC(=O)CCCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000599417922 355487459 /nfs/dbraw/zinc/48/74/59/355487459.db2.gz YGZVQVBKAQKHHL-LBPRGKRZSA-N 1 1 258.318 -0.358 10 0 CBAEMO CNc1ccccc1[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616639502 356104876 /nfs/dbraw/zinc/10/48/76/356104876.db2.gz PNTQIVZVBVXFNU-LLVKDONJSA-N 1 1 270.358 -0.122 10 0 CBAEMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616766617 356112405 /nfs/dbraw/zinc/11/24/05/356112405.db2.gz INISXFIEOQKGKZ-MDZLAQPJSA-N 1 1 275.312 -0.121 10 0 CBAEMO CC(C)(C)OC(=O)NC[C@@H]1CN(C(N)=O)CC[NH2+]1 ZINC000616634962 356104054 /nfs/dbraw/zinc/10/40/54/356104054.db2.gz GWMQILUASGEVPF-MRVPVSSYSA-N 1 1 258.322 -0.136 10 0 CBAEMO C[C@@H](CC(=O)N1CC[NH+](CCO)CC1)N1CCCCC1=O ZINC000328717371 202027382 /nfs/dbraw/zinc/02/73/82/202027382.db2.gz UNVNDJUHXNMMCS-ZDUSSCGKSA-N 1 1 297.399 -0.086 10 0 CBAEMO Cn1cc(N2CCC[C@@H]([NH2+]C3COC3)C2=O)cn1 ZINC000329022929 202157852 /nfs/dbraw/zinc/15/78/52/202157852.db2.gz MSTBCYYWNKSLDN-LLVKDONJSA-N 1 1 250.302 -0.096 10 0 CBAEMO CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000631553509 356893951 /nfs/dbraw/zinc/89/39/51/356893951.db2.gz UMVPOPUINYCONX-VXGBXAGGSA-N 1 1 293.371 -0.084 10 0 CBAEMO CNC(=O)[C@@H](C)CN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261943248 290530939 /nfs/dbraw/zinc/53/09/39/290530939.db2.gz NEGIMESRQUIDIH-AEJSXWLSSA-N 1 1 257.334 -0.796 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCNCC2=O)C1 ZINC000638079146 357412341 /nfs/dbraw/zinc/41/23/41/357412341.db2.gz BDOJLCKRYFHUFB-RYUDHWBXSA-N 1 1 282.388 -0.593 10 0 CBAEMO CC(C)n1nnnc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639870891 357615690 /nfs/dbraw/zinc/61/56/90/357615690.db2.gz KIROTTJGEPIJOZ-JTQLQIEISA-N 1 1 254.338 -0.638 10 0 CBAEMO CC(C)n1nnnc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639870891 357615691 /nfs/dbraw/zinc/61/56/91/357615691.db2.gz KIROTTJGEPIJOZ-JTQLQIEISA-N 1 1 254.338 -0.638 10 0 CBAEMO CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@H+]1Cc1cnn(C)c1 ZINC000643551920 357787624 /nfs/dbraw/zinc/78/76/24/357787624.db2.gz RCYUQYKSBDWCLM-XQHKEYJVSA-N 1 1 269.345 -0.657 10 0 CBAEMO Cc1nn(C)c(C)c1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C ZINC000643551947 357788879 /nfs/dbraw/zinc/78/88/79/357788879.db2.gz UQMQBZCHHGAISU-ZBAXXZLZSA-N 1 1 269.345 -0.676 10 0 CBAEMO CC(C)C[N@H+](Cc1c[nH]cn1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586077 357789543 /nfs/dbraw/zinc/78/95/43/357789543.db2.gz WXSIBQBVLTWDCH-UPJWGTAASA-N 1 1 269.345 -0.012 10 0 CBAEMO CC(C)C[N@@H+](Cc1c[nH]cn1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586077 357789549 /nfs/dbraw/zinc/78/95/49/357789549.db2.gz WXSIBQBVLTWDCH-UPJWGTAASA-N 1 1 269.345 -0.012 10 0 CBAEMO CC(C)C[N@@H+](Cc1cnn(C)c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643585920 357790100 /nfs/dbraw/zinc/79/01/00/357790100.db2.gz COUZVDHXZXUTON-MCIONIFRSA-N 1 1 283.372 -0.001 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CCOc2ccccc21 ZINC000037629358 283290817 /nfs/dbraw/zinc/29/08/17/283290817.db2.gz ODQAAHIPGCEHHT-ZJUUUORDSA-N 1 1 263.297 -0.171 10 0 CBAEMO CNC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H]1C(=O)NCCOC ZINC000225404457 283383990 /nfs/dbraw/zinc/38/39/90/283383990.db2.gz AWZJGLKCZNAZPW-NWDGAFQWSA-N 1 1 283.372 -0.262 10 0 CBAEMO CNC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H]1C(=O)NCCOC ZINC000225404457 283383993 /nfs/dbraw/zinc/38/39/93/283383993.db2.gz AWZJGLKCZNAZPW-NWDGAFQWSA-N 1 1 283.372 -0.262 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000262117505 291210035 /nfs/dbraw/zinc/21/00/35/291210035.db2.gz FRFOZCKBXHXRDL-AEJSXWLSSA-N 1 1 276.358 -0.991 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCc1ccc(F)cc1 ZINC000179176094 189175236 /nfs/dbraw/zinc/17/52/36/189175236.db2.gz XGDBUXVKDKSQCU-CHWSQXEVSA-N 1 1 282.315 -0.131 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCc1ccc(F)cc1 ZINC000179176094 189175237 /nfs/dbraw/zinc/17/52/37/189175237.db2.gz XGDBUXVKDKSQCU-CHWSQXEVSA-N 1 1 282.315 -0.131 10 0 CBAEMO COCC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)C(N)=O ZINC000106313441 372785792 /nfs/dbraw/zinc/78/57/92/372785792.db2.gz KQXGTNZKCATBRQ-QWRGUYRKSA-N 1 1 276.377 -0.015 10 0 CBAEMO COCC[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)C(N)=O ZINC000106313441 372785797 /nfs/dbraw/zinc/78/57/97/372785797.db2.gz KQXGTNZKCATBRQ-QWRGUYRKSA-N 1 1 276.377 -0.015 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000174663257 372833711 /nfs/dbraw/zinc/83/37/11/372833711.db2.gz FMVHPCCQXKIOIP-NEPJUHHUSA-N 1 1 253.346 -0.376 10 0 CBAEMO CC[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174603064 372833783 /nfs/dbraw/zinc/83/37/83/372833783.db2.gz RXGJNJXKRZSVLA-PWSUYJOCSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1C[C@@H](C)O ZINC000174603064 372833790 /nfs/dbraw/zinc/83/37/90/372833790.db2.gz RXGJNJXKRZSVLA-PWSUYJOCSA-N 1 1 283.372 -0.431 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175589968 372835280 /nfs/dbraw/zinc/83/52/80/372835280.db2.gz ZHTARTCPZCXZAH-KGLIPLIRSA-N 1 1 299.415 -0.208 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177237976 372836111 /nfs/dbraw/zinc/83/61/11/372836111.db2.gz SNTZWTBXCHZSIY-MNOVXSKESA-N 1 1 284.360 -0.906 10 0 CBAEMO COCCO[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000189719502 372856140 /nfs/dbraw/zinc/85/61/40/372856140.db2.gz OFTAUDBUDRXUAW-QWHCGFSZSA-N 1 1 286.372 -0.293 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000344670214 217270360 /nfs/dbraw/zinc/27/03/60/217270360.db2.gz CWCQKFFGOYOQHY-VHSXEESVSA-N 1 1 256.302 -0.783 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NC1CCCCC1 ZINC000360488787 373199710 /nfs/dbraw/zinc/19/97/10/373199710.db2.gz DOVTULXSKCQQPX-VXGBXAGGSA-N 1 1 256.346 -0.137 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NC1CCCCC1 ZINC000360488787 373199717 /nfs/dbraw/zinc/19/97/17/373199717.db2.gz DOVTULXSKCQQPX-VXGBXAGGSA-N 1 1 256.346 -0.137 10 0 CBAEMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCn3ccnc3C2)C1 ZINC000583623262 374363228 /nfs/dbraw/zinc/36/32/28/374363228.db2.gz NWQJJPRKQCJUBJ-VXGBXAGGSA-N 1 1 278.356 -0.108 10 0 CBAEMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCn3ccnc3C2)C1 ZINC000583623262 374363232 /nfs/dbraw/zinc/36/32/32/374363232.db2.gz NWQJJPRKQCJUBJ-VXGBXAGGSA-N 1 1 278.356 -0.108 10 0 CBAEMO COC[C@@]1(C(=O)N2CCCN(C)CC2)CCC[NH2+]1 ZINC000643768077 374407606 /nfs/dbraw/zinc/40/76/06/374407606.db2.gz QMWQABJVUYAAJL-CYBMUJFWSA-N 1 1 255.362 -0.081 10 0 CBAEMO COC[C@@]1(C(=O)N[C@H](C)c2nnc[nH]2)CCC[NH2+]1 ZINC000643783016 374417896 /nfs/dbraw/zinc/41/78/96/374417896.db2.gz CWAPYPUSYHZDEM-LDYMZIIASA-N 1 1 253.306 -0.250 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1O ZINC000647038579 374868185 /nfs/dbraw/zinc/86/81/85/374868185.db2.gz LURSNNMGIUQIMM-CPCISQLKSA-N 1 1 254.261 -0.159 10 0 CBAEMO CC[C@@H]1CN(CCOCCO)CC[N@H+]1C[C@@H](C)O ZINC000132955281 207373845 /nfs/dbraw/zinc/37/38/45/207373845.db2.gz MBDZONKAUZMVLB-CHWSQXEVSA-N 1 1 260.378 -0.228 10 0 CBAEMO COCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177297253 285067120 /nfs/dbraw/zinc/06/71/20/285067120.db2.gz OXYZQPKOBSUNEY-VXGBXAGGSA-N 1 1 271.361 -0.005 10 0 CBAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)[C@H](C)O ZINC000005442720 170099248 /nfs/dbraw/zinc/09/92/48/170099248.db2.gz SFVVQRJOGUKCEG-NHULGOKLSA-N 1 1 299.367 -0.327 10 0 CBAEMO Cc1cccc2c1nnn2C[NH+](CCO)CCO ZINC000006071833 170174190 /nfs/dbraw/zinc/17/41/90/170174190.db2.gz ZUHDIDYOAZNPBV-UHFFFAOYSA-N 1 1 250.302 -0.016 10 0 CBAEMO CN(C)CCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022221275 171378394 /nfs/dbraw/zinc/37/83/94/171378394.db2.gz UKAAZDOZZXTPHL-UHFFFAOYSA-N 1 1 257.359 -0.015 10 0 CBAEMO CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000036136352 172459464 /nfs/dbraw/zinc/45/94/64/172459464.db2.gz WIWUPRLSHBJOQV-RKDXNWHRSA-N 1 1 257.359 -0.272 10 0 CBAEMO CCN(C)C(=O)CN1CCN(CCCC[NH3+])CC1 ZINC000037223155 173044038 /nfs/dbraw/zinc/04/40/38/173044038.db2.gz BPYBLOCNAMOBKZ-UHFFFAOYSA-N 1 1 256.394 -0.179 10 0 CBAEMO C[NH+](C)CCOC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040168361 174198762 /nfs/dbraw/zinc/19/87/62/174198762.db2.gz OKHCYHBBEQELHU-QMMMGPOBSA-N 1 1 250.320 -0.539 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@@H+](CCOC)CCC(N)=S ZINC000071226117 176089857 /nfs/dbraw/zinc/08/98/57/176089857.db2.gz MJWGCPJSVNBIMA-QMMMGPOBSA-N 1 1 290.389 -0.545 10 0 CBAEMO O=C(CC[N@@H+]1CCCN(CCO)CC1)NC1CC1 ZINC000071350459 176133773 /nfs/dbraw/zinc/13/37/73/176133773.db2.gz MDNWFHIGXRUKRA-UHFFFAOYSA-N 1 1 255.362 -0.345 10 0 CBAEMO O=C(CCN1CCC[N@@H+](CCO)CC1)NC1CC1 ZINC000071350459 176133775 /nfs/dbraw/zinc/13/37/75/176133775.db2.gz MDNWFHIGXRUKRA-UHFFFAOYSA-N 1 1 255.362 -0.345 10 0 CBAEMO O=C(CCN1CCC[N@H+](CCO)CC1)NC1CC1 ZINC000071350459 176133776 /nfs/dbraw/zinc/13/37/76/176133776.db2.gz MDNWFHIGXRUKRA-UHFFFAOYSA-N 1 1 255.362 -0.345 10 0 CBAEMO CC(C)N(C)C(=O)CN1CCC[N@@H+](CCO)CC1 ZINC000071350096 176134246 /nfs/dbraw/zinc/13/42/46/176134246.db2.gz OORZHMMKTKTAKW-UHFFFAOYSA-N 1 1 257.378 -0.147 10 0 CBAEMO [NH3+]CC[C@H](O)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000071582805 176207739 /nfs/dbraw/zinc/20/77/39/176207739.db2.gz YDWGAQWEXZJGSH-QWHCGFSZSA-N 1 1 257.378 -0.507 10 0 CBAEMO C[N@@H+]([C@@H](CCC[NH3+])C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000076368497 177006049 /nfs/dbraw/zinc/00/60/49/177006049.db2.gz OPIAHUZHXWLUIB-IUCAKERBSA-N 1 1 264.347 -0.703 10 0 CBAEMO CN(C)C[C@H](CC[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076678827 177057491 /nfs/dbraw/zinc/05/74/91/177057491.db2.gz LOHNKVAYFZRRSW-WDEREUQCSA-N 1 1 263.407 -0.616 10 0 CBAEMO O=C1C[C@H]([NH2+][C@H]2CCCNC2=O)C(=O)N1C1CC1 ZINC000050395625 544420678 /nfs/dbraw/zinc/42/06/78/544420678.db2.gz GPZKIQTZFHFIOA-IUCAKERBSA-N 1 1 251.286 -0.856 10 0 CBAEMO CCN1CCC[C@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700134 544436916 /nfs/dbraw/zinc/43/69/16/544436916.db2.gz GVBKKFHUNTYHLP-JTQLQIEISA-N 1 1 266.349 -0.549 10 0 CBAEMO CC(C)(C(=O)NCc1cnc[nH]1)N1CC[NH2+]CC1 ZINC000131318785 544459675 /nfs/dbraw/zinc/45/96/75/544459675.db2.gz CERBSAUFEJJQNG-UHFFFAOYSA-N 1 1 251.334 -0.290 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182023437 544482565 /nfs/dbraw/zinc/48/25/65/544482565.db2.gz SVFCFMHYJDOFFJ-BZPMIXESSA-N 1 1 297.399 -0.089 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182023437 544482570 /nfs/dbraw/zinc/48/25/70/544482570.db2.gz SVFCFMHYJDOFFJ-BZPMIXESSA-N 1 1 297.399 -0.089 10 0 CBAEMO CN1CCN(c2cnn([C@H]3CCC[NH2+]C3)c(=O)c2)CC1 ZINC000238855146 544509635 /nfs/dbraw/zinc/50/96/35/544509635.db2.gz QPELTBKGOMHQTR-LBPRGKRZSA-N 1 1 277.372 -0.080 10 0 CBAEMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245608197 544511073 /nfs/dbraw/zinc/51/10/73/544511073.db2.gz KRQBWCKROQNMFQ-ZIAGYGMSSA-N 1 1 299.415 -0.330 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252733852 544514078 /nfs/dbraw/zinc/51/40/78/544514078.db2.gz SVFCFMHYJDOFFJ-DYEKYZERSA-N 1 1 297.399 -0.089 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252733852 544514081 /nfs/dbraw/zinc/51/40/81/544514081.db2.gz SVFCFMHYJDOFFJ-DYEKYZERSA-N 1 1 297.399 -0.089 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000037802031 419409535 /nfs/dbraw/zinc/40/95/35/419409535.db2.gz OMIFQQPRKOXUTN-LLVKDONJSA-N 1 1 296.396 -0.405 10 0 CBAEMO O=C(CN1CC[NH2+]CC1)N1CCN2CCCC[C@@H]2C1 ZINC000037812790 419410617 /nfs/dbraw/zinc/41/06/17/419410617.db2.gz PYIPJDBAIVMGIX-CYBMUJFWSA-N 1 1 266.389 -0.412 10 0 CBAEMO O=C([C@H]1CNC(=O)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000110432740 419485880 /nfs/dbraw/zinc/48/58/80/419485880.db2.gz XHMUNLKXOAPGRM-OLZOCXBDSA-N 1 1 295.383 -0.164 10 0 CBAEMO CN1CCC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000044763176 419427955 /nfs/dbraw/zinc/42/79/55/419427955.db2.gz UPENCXCVYIBCCD-NSHDSACASA-N 1 1 255.362 -0.048 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000661950138 419534474 /nfs/dbraw/zinc/53/44/74/419534474.db2.gz KETHXQVIQLJWBA-GFCCVEGCSA-N 1 1 261.362 -0.159 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000661950139 419535564 /nfs/dbraw/zinc/53/55/64/419535564.db2.gz KETHXQVIQLJWBA-LBPRGKRZSA-N 1 1 261.362 -0.159 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CCn2ccnc2C1 ZINC000388745665 544576802 /nfs/dbraw/zinc/57/68/02/544576802.db2.gz JVNDSMKUSRFWME-LBPRGKRZSA-N 1 1 268.361 -0.362 10 0 CBAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000194748161 419552987 /nfs/dbraw/zinc/55/29/87/419552987.db2.gz MLXKHHIMEBLKCI-TUAOUCFPSA-N 1 1 283.372 -0.310 10 0 CBAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000194748161 419552995 /nfs/dbraw/zinc/55/29/95/419552995.db2.gz MLXKHHIMEBLKCI-TUAOUCFPSA-N 1 1 283.372 -0.310 10 0 CBAEMO Nc1ccnc(CN[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)n1 ZINC000643959855 419565507 /nfs/dbraw/zinc/56/55/07/419565507.db2.gz ITMGSFDFFXZMQA-TUAOUCFPSA-N 1 1 277.372 0.136 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173922055 419505689 /nfs/dbraw/zinc/50/56/89/419505689.db2.gz FOCUTTXIHQSORR-GFCCVEGCSA-N 1 1 291.417 -0.668 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173922055 419505695 /nfs/dbraw/zinc/50/56/95/419505695.db2.gz FOCUTTXIHQSORR-GFCCVEGCSA-N 1 1 291.417 -0.668 10 0 CBAEMO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394377445 544579792 /nfs/dbraw/zinc/57/97/92/544579792.db2.gz DEGUIMISNRZZDJ-IHRRRGAJSA-N 1 1 280.416 -0.133 10 0 CBAEMO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394389528 544580241 /nfs/dbraw/zinc/58/02/41/544580241.db2.gz RXUHDJJUNFUHNP-RWMBFGLXSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394393300 544581454 /nfs/dbraw/zinc/58/14/54/544581454.db2.gz XWROHXSDAKPXII-MELADBBJSA-N 1 1 280.416 -0.119 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2CCC[C@@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000314362303 419624984 /nfs/dbraw/zinc/62/49/84/419624984.db2.gz KTFSUSYPTMWYLS-SCRDCRAPSA-N 1 1 285.388 -0.592 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCCc2n[nH]cc2C1 ZINC000404623029 544586851 /nfs/dbraw/zinc/58/68/51/544586851.db2.gz PMIVTZKWMJIIKE-LLVKDONJSA-N 1 1 250.302 -0.327 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000648088431 419725181 /nfs/dbraw/zinc/72/51/81/419725181.db2.gz HWCRGPMSCBXSPO-JGVFFNPUSA-N 1 1 268.235 -0.236 10 0 CBAEMO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000662861568 419757725 /nfs/dbraw/zinc/75/77/25/419757725.db2.gz KOBPEGOKTBGLNG-YUMQZZPRSA-N 1 1 250.245 -0.485 10 0 CBAEMO O=C(NCCO[C@H]1CC1(F)F)[C@H]1COCC[NH2+]1 ZINC000662861567 419758635 /nfs/dbraw/zinc/75/86/35/419758635.db2.gz KOBPEGOKTBGLNG-SFYZADRCSA-N 1 1 250.245 -0.485 10 0 CBAEMO O=C(NC[C@@H]1CN2CCN1CCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662907378 419768319 /nfs/dbraw/zinc/76/83/19/419768319.db2.gz UCKPVKMKVXTHIZ-QJPTWQEYSA-N 1 1 270.352 -0.808 10 0 CBAEMO CO[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000662921801 419775206 /nfs/dbraw/zinc/77/52/06/419775206.db2.gz NZNKARSTGOHVNH-UWVGGRQHSA-N 1 1 257.334 -0.490 10 0 CBAEMO C[C@@]1(C(F)F)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000663007402 419810660 /nfs/dbraw/zinc/81/06/60/419810660.db2.gz HEBXZABYOVFYOM-LDWIPMOCSA-N 1 1 265.260 -0.928 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662954118 419792018 /nfs/dbraw/zinc/79/20/18/419792018.db2.gz LJQJQXMBNPRFFO-NKWVEPMBSA-N 1 1 283.250 -0.631 10 0 CBAEMO COC[C@]1(C(=O)N[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649304899 419870339 /nfs/dbraw/zinc/87/03/39/419870339.db2.gz LYHWBWULRYNRFE-YPMHNXCESA-N 1 1 255.362 -0.035 10 0 CBAEMO CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000664268447 419894545 /nfs/dbraw/zinc/89/45/45/419894545.db2.gz JGZWZHLNUUVBHP-BDAKNGLRSA-N 1 1 286.357 -0.234 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671605086 544825416 /nfs/dbraw/zinc/82/54/16/544825416.db2.gz RSJFSUBGPPVCMN-DGCLKSJQSA-N 1 1 279.344 -0.664 10 0 CBAEMO CC(C)NC(=O)CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367485611 420108754 /nfs/dbraw/zinc/10/87/54/420108754.db2.gz ZFSLCMRULNXFEH-GFCCVEGCSA-N 1 1 257.334 -0.787 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399045918 420216966 /nfs/dbraw/zinc/21/69/66/420216966.db2.gz DSIABFZMELKBQE-DCAQKATOSA-N 1 1 269.345 -0.075 10 0 CBAEMO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CN(C)CCO1 ZINC000653552629 420150706 /nfs/dbraw/zinc/15/07/06/420150706.db2.gz ZSNUGSVNFJHFBN-CHWSQXEVSA-N 1 1 259.394 -0.439 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738848 420218647 /nfs/dbraw/zinc/21/86/47/420218647.db2.gz FLCHOVQVLAKYJA-IVZWLZJFSA-N 1 1 255.318 -0.465 10 0 CBAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000399147121 420219035 /nfs/dbraw/zinc/21/90/35/420219035.db2.gz CTIBHWIXJIGHAD-WCBMZHEXSA-N 1 1 255.318 -0.180 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399504882 420220643 /nfs/dbraw/zinc/22/06/43/420220643.db2.gz XOKTWSRBCNANJT-NWDGAFQWSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399504882 420220647 /nfs/dbraw/zinc/22/06/47/420220647.db2.gz XOKTWSRBCNANJT-NWDGAFQWSA-N 1 1 285.388 -0.184 10 0 CBAEMO COCCN1CCN(C[C@@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000675054866 544923695 /nfs/dbraw/zinc/92/36/95/544923695.db2.gz KYRWNZSLKHOXJR-STQMWFEESA-N 1 1 257.378 -0.373 10 0 CBAEMO C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000088358486 230167195 /nfs/dbraw/zinc/16/71/95/230167195.db2.gz FJHFILDAWCGJAB-ZJUUUORDSA-N 1 1 275.312 -0.105 10 0 CBAEMO C[C@H](NC(=O)[C@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000088358487 230167305 /nfs/dbraw/zinc/16/73/05/230167305.db2.gz FJHFILDAWCGJAB-VHSXEESVSA-N 1 1 275.312 -0.105 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCNC1=O ZINC000105898231 261319669 /nfs/dbraw/zinc/31/96/69/261319669.db2.gz UOGWYJNPESWWPL-SNVBAGLBSA-N 1 1 278.316 -0.533 10 0 CBAEMO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCNC1=O ZINC000105898231 261319672 /nfs/dbraw/zinc/31/96/72/261319672.db2.gz UOGWYJNPESWWPL-SNVBAGLBSA-N 1 1 278.316 -0.533 10 0 CBAEMO CC[N@@H+](CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O)C1CC1 ZINC000344986156 276312635 /nfs/dbraw/zinc/31/26/35/276312635.db2.gz ILYBFFUSCLGNLM-QWRGUYRKSA-N 1 1 269.345 -0.428 10 0 CBAEMO C[C@@H]1OCCN[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258687 545083435 /nfs/dbraw/zinc/08/34/35/545083435.db2.gz XIFYFOCLGUHDGA-GXSJLCMTSA-N 1 1 251.334 -0.184 10 0 CBAEMO C[N@H+]1CCc2nnc(N3CCN(CCO)CC3)cc2C1 ZINC000725264911 545083748 /nfs/dbraw/zinc/08/37/48/545083748.db2.gz UOVHHAXTNPOYJI-UHFFFAOYSA-N 1 1 277.372 -0.421 10 0 CBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173329704 277126695 /nfs/dbraw/zinc/12/66/95/277126695.db2.gz NWALNNMVSCBWDM-STQMWFEESA-N 1 1 283.372 -0.750 10 0 CBAEMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173329704 277126696 /nfs/dbraw/zinc/12/66/96/277126696.db2.gz NWALNNMVSCBWDM-STQMWFEESA-N 1 1 283.372 -0.750 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177310287 277212776 /nfs/dbraw/zinc/21/27/76/277212776.db2.gz XCIIXBVMYAGDRP-LLVKDONJSA-N 1 1 296.375 -0.010 10 0 CBAEMO CS[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000261539578 278144369 /nfs/dbraw/zinc/14/43/69/278144369.db2.gz ACAGWPVEZSYSSQ-IWSPIJDZSA-N 1 1 259.375 -0.021 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CC(N)=O ZINC000220942500 279299202 /nfs/dbraw/zinc/29/92/02/279299202.db2.gz RDZJOYJTVCVWHI-ZJUUUORDSA-N 1 1 256.350 -0.868 10 0 CBAEMO C[C@@H]1CN(C[C@H](O)CN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000045919757 288198159 /nfs/dbraw/zinc/19/81/59/288198159.db2.gz LJXXNDVKVYIXCQ-JHJVBQTASA-N 1 1 257.378 -0.638 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261572239 280144728 /nfs/dbraw/zinc/14/47/28/280144728.db2.gz LPBYSSIIXALXHA-APPZFPTMSA-N 1 1 268.235 -0.500 10 0 CBAEMO CC[C@H]1CN(Cc2noc(CN)n2)CC[N@H+]1C[C@H](C)O ZINC000262271115 288293204 /nfs/dbraw/zinc/29/32/04/288293204.db2.gz SMJJKVQTPGIAJW-QWRGUYRKSA-N 1 1 283.376 -0.195 10 0 CBAEMO C[NH+]1CCC(N[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)CC1 ZINC000096296136 327114375 /nfs/dbraw/zinc/11/43/75/327114375.db2.gz UFEUIZBOSDKUMI-MCIONIFRSA-N 1 1 297.399 -0.675 10 0 CBAEMO CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000182404534 327393892 /nfs/dbraw/zinc/39/38/92/327393892.db2.gz UASOVBGZRLWXFR-JTQLQIEISA-N 1 1 265.379 -0.771 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN1CC(=O)NC1=O ZINC000176992090 335352251 /nfs/dbraw/zinc/35/22/51/335352251.db2.gz AWRVGLBUMRRJGD-SNVBAGLBSA-N 1 1 282.344 -0.519 10 0 CBAEMO CCOC(=O)[C@H]([NH3+])CCN1CCn2ccnc2C1 ZINC000062534186 521257416 /nfs/dbraw/zinc/25/74/16/521257416.db2.gz RYEZXJAIYULVBO-SNVBAGLBSA-N 1 1 252.318 -0.021 10 0 CBAEMO CCN(C(=O)C[NH2+][C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000049292385 519916390 /nfs/dbraw/zinc/91/63/90/519916390.db2.gz SNSSZTKJWMJBNG-VIFPVBQESA-N 1 1 260.359 -0.226 10 0 CBAEMO CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000049199932 521745567 /nfs/dbraw/zinc/74/55/67/521745567.db2.gz CWPFZPSWFZSLDG-IUCAKERBSA-N 1 1 255.318 -0.364 10 0 CBAEMO CCn1c(SC[C@](C)([NH3+])C(=O)OC)n[nH]c1=O ZINC000061607751 523238179 /nfs/dbraw/zinc/23/81/79/523238179.db2.gz HTHUUVZKGZQDJL-VIFPVBQESA-N 1 1 260.319 -0.426 10 0 CBAEMO COCC[N@@H+](CC[C@H](N)C(=O)OC)[C@@H](C)COC ZINC000062524442 523727638 /nfs/dbraw/zinc/72/76/38/523727638.db2.gz QPHOCEFEJBCSOK-QWRGUYRKSA-N 1 1 262.350 -0.140 10 0 CBAEMO C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cnc(N)nc1 ZINC000050672038 523796183 /nfs/dbraw/zinc/79/61/83/523796183.db2.gz GSMGBYZJUZDLHI-SECBINFHSA-N 1 1 285.373 -0.179 10 0 CBAEMO C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cnc(N)nc1 ZINC000050672038 523796185 /nfs/dbraw/zinc/79/61/85/523796185.db2.gz GSMGBYZJUZDLHI-SECBINFHSA-N 1 1 285.373 -0.179 10 0 CBAEMO CC[C@H](C)N1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000055078171 523948549 /nfs/dbraw/zinc/94/85/49/523948549.db2.gz AZFADADHCXFVLB-ZDUSSCGKSA-N 1 1 268.405 -0.166 10 0 CBAEMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccnc(N)c2)C1 ZINC000050673606 523989231 /nfs/dbraw/zinc/98/92/31/523989231.db2.gz OEVOCBGGKAWKAQ-QMMMGPOBSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccnc(N)c2)C1 ZINC000050673606 523989234 /nfs/dbraw/zinc/98/92/34/523989234.db2.gz OEVOCBGGKAWKAQ-QMMMGPOBSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)c1nc(N)n[nH]1)C2 ZINC000055168503 524031302 /nfs/dbraw/zinc/03/13/02/524031302.db2.gz LNZZRMKXIYAQFI-CBLAIPOGSA-N 1 1 264.333 -0.011 10 0 CBAEMO CC(C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)[C@@H](C)O ZINC000001575701 560182514 /nfs/dbraw/zinc/18/25/14/560182514.db2.gz SFVVQRJOGUKCEG-GVUJHPQVSA-N 1 1 299.367 -0.327 10 0 in-vitro CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000122389200 582118573 /nfs/dbraw/zinc/11/85/73/582118573.db2.gz NILNKDOJFFQYBT-NWDGAFQWSA-N 1 1 293.433 -0.042 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000122389200 582118574 /nfs/dbraw/zinc/11/85/74/582118574.db2.gz NILNKDOJFFQYBT-NWDGAFQWSA-N 1 1 293.433 -0.042 10 0 CBAEMO C[NH+]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC1 ZINC000148667125 582126562 /nfs/dbraw/zinc/12/65/62/582126562.db2.gz CQUVEGYFZRTSEJ-JTQLQIEISA-N 1 1 287.360 -0.354 10 0 CBAEMO NC(=O)CC[C@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757197872 582305262 /nfs/dbraw/zinc/30/52/62/582305262.db2.gz BKPCFAQLEQKAGY-ZETCQYMHSA-N 1 1 255.278 -0.829 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000895663003 584683975 /nfs/dbraw/zinc/68/39/75/584683975.db2.gz IEESUUJYJOTJEK-QWHCGFSZSA-N 1 1 299.415 -0.332 10 0 CBAEMO O=C(CN1CCNC(=O)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000900412624 584803662 /nfs/dbraw/zinc/80/36/62/584803662.db2.gz VAYWUBPSFJLSES-GFCCVEGCSA-N 1 1 280.372 -0.885 10 0 CBAEMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCn2ccnc2C1 ZINC000900665450 584820075 /nfs/dbraw/zinc/82/00/75/584820075.db2.gz LRJFCBHXQNHZAH-GXFFZTMASA-N 1 1 264.329 -0.320 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000929648030 659156986 /nfs/dbraw/zinc/15/69/86/659156986.db2.gz MANKCEHZZCJFIC-QJPTWQEYSA-N 1 1 254.334 -0.268 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)[C@@H](C)O)C[C@H]1N1CCOCC1 ZINC000929851995 659183108 /nfs/dbraw/zinc/18/31/08/659183108.db2.gz FJHPUKKHRMIWPO-SYQHCUMBSA-N 1 1 272.389 -0.229 10 0 CBAEMO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000034588853 656000031 /nfs/dbraw/zinc/00/00/31/656000031.db2.gz PHLORFAGTXJTFY-GHMZBOCLSA-N 1 1 293.323 -0.910 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000037627297 656002891 /nfs/dbraw/zinc/00/28/91/656002891.db2.gz DJXZDVXHFUTFQT-NSHDSACASA-N 1 1 290.323 -0.045 10 0 CBAEMO C[C@@H](Cc1cccs1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000037628224 656002921 /nfs/dbraw/zinc/00/29/21/656002921.db2.gz ZTGOPZRGSOGAEG-IONNQARKSA-N 1 1 255.343 -0.002 10 0 CBAEMO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)ccc1F ZINC000037628879 656003327 /nfs/dbraw/zinc/00/33/27/656003327.db2.gz AVQMDRXNXNFTRI-VIFPVBQESA-N 1 1 283.259 -0.247 10 0 CBAEMO COCc1ccccc1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000037762932 656003438 /nfs/dbraw/zinc/00/34/38/656003438.db2.gz XXAJEGATEXDHKN-LLVKDONJSA-N 1 1 265.313 -0.348 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000037797803 656004000 /nfs/dbraw/zinc/00/40/00/656004000.db2.gz AMPQKCCZTQLUCD-JTQLQIEISA-N 1 1 292.339 -0.757 10 0 CBAEMO COCc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000038011023 656004435 /nfs/dbraw/zinc/00/44/35/656004435.db2.gz DRQLJCIFUGURQE-NSHDSACASA-N 1 1 265.313 -0.348 10 0 CBAEMO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000094462928 656061054 /nfs/dbraw/zinc/06/10/54/656061054.db2.gz VDUXXRLXKXAPOV-VXGBXAGGSA-N 1 1 273.402 -0.152 10 0 CBAEMO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000094462927 656061247 /nfs/dbraw/zinc/06/12/47/656061247.db2.gz VDUXXRLXKXAPOV-NEPJUHHUSA-N 1 1 273.402 -0.152 10 0 CBAEMO CN(C)[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000104171314 656064854 /nfs/dbraw/zinc/06/48/54/656064854.db2.gz MJAFHHKOTSLRNO-WDEREUQCSA-N 1 1 261.391 -0.296 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[NH2+]CCOC)CCN1C[C@@H](C)O ZINC000168012375 656081176 /nfs/dbraw/zinc/08/11/76/656081176.db2.gz GYGLKMFMAZRNEI-CHWSQXEVSA-N 1 1 287.404 -0.474 10 0 CBAEMO C[C@@H](O)C1CC[NH+](CN2CC(=O)N(C)C2=O)CC1 ZINC000182282370 656092292 /nfs/dbraw/zinc/09/22/92/656092292.db2.gz UUYPIFROMJDDFP-SECBINFHSA-N 1 1 255.318 -0.069 10 0 CBAEMO CCNS(=O)(=O)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000225247899 656105915 /nfs/dbraw/zinc/10/59/15/656105915.db2.gz LNDNCNDROJIKQY-UHFFFAOYSA-N 1 1 290.389 -0.234 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228699376 656110232 /nfs/dbraw/zinc/11/02/32/656110232.db2.gz PQJLFHMXNNFPRN-UTLUCORTSA-N 1 1 285.344 -0.039 10 0 CBAEMO CN(C)[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250354261 656122010 /nfs/dbraw/zinc/12/20/10/656122010.db2.gz MJAFHHKOTSLRNO-MNOVXSKESA-N 1 1 261.391 -0.296 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000250297860 656122094 /nfs/dbraw/zinc/12/20/94/656122094.db2.gz PQJLFHMXNNFPRN-GUBZILKMSA-N 1 1 285.344 -0.039 10 0 CBAEMO Cc1noc([C@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1 ZINC000261936136 656127724 /nfs/dbraw/zinc/12/77/24/656127724.db2.gz MGZGWOAIQNJPEL-OOZYFLPDSA-N 1 1 254.290 -0.068 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000328071117 656148956 /nfs/dbraw/zinc/14/89/56/656148956.db2.gz BRJLBUJHYGIKAK-RISCZKNCSA-N 1 1 291.351 -0.204 10 0 CBAEMO CC[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702653074 656182089 /nfs/dbraw/zinc/18/20/89/656182089.db2.gz DCSHGVWRDYYOSJ-GMXVVIOVSA-N 1 1 256.346 -0.016 10 0 CBAEMO CC(C)(CNS(C)(=O)=O)NC[C@H]1CCC[NH2+]C1 ZINC000708362662 656192644 /nfs/dbraw/zinc/19/26/44/656192644.db2.gz VUUIVOLNFTVMAO-JTQLQIEISA-N 1 1 263.407 -0.097 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CNCCO1 ZINC000710749161 656200433 /nfs/dbraw/zinc/20/04/33/656200433.db2.gz XFJGUIUOZKDHEO-GXTWGEPZSA-N 1 1 283.372 -0.702 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CNCCO1 ZINC000710749161 656200435 /nfs/dbraw/zinc/20/04/35/656200435.db2.gz XFJGUIUOZKDHEO-GXTWGEPZSA-N 1 1 283.372 -0.702 10 0 CBAEMO C[N@H+]1CCN(C(=O)[C@H](N)CC(N)=O)CCC1(C)C ZINC000712677805 656211015 /nfs/dbraw/zinc/21/10/15/656211015.db2.gz JLFLMOIXMLYIMD-SECBINFHSA-N 1 1 256.350 -0.868 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000713971965 656214384 /nfs/dbraw/zinc/21/43/84/656214384.db2.gz VIKNAPRSRDOXLC-QMMMGPOBSA-N 1 1 266.363 -0.758 10 0 CBAEMO CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@@H]1COCC[NH2+]1 ZINC000713978898 656214894 /nfs/dbraw/zinc/21/48/94/656214894.db2.gz RHUCEBHIRWMHCG-VIFPVBQESA-N 1 1 278.374 -0.744 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1=O ZINC000900412027 656308613 /nfs/dbraw/zinc/30/86/13/656308613.db2.gz OBRDETNUTMGTPH-VXGBXAGGSA-N 1 1 281.356 -0.460 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1=O ZINC000900412027 656308616 /nfs/dbraw/zinc/30/86/16/656308616.db2.gz OBRDETNUTMGTPH-VXGBXAGGSA-N 1 1 281.356 -0.460 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCC(N)=O)C[C@H]1C ZINC000906816646 656402699 /nfs/dbraw/zinc/40/26/99/656402699.db2.gz UVMVCRZNAOWTAK-NXEZZACHSA-N 1 1 257.334 -0.835 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCC(N)=O)C[C@@H]1C ZINC000906816648 656402791 /nfs/dbraw/zinc/40/27/91/656402791.db2.gz UVMVCRZNAOWTAK-VHSXEESVSA-N 1 1 257.334 -0.835 10 0 CBAEMO COCC(=O)NC1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000907506803 656515638 /nfs/dbraw/zinc/51/56/38/656515638.db2.gz SRTLKFSODRYDBL-STQMWFEESA-N 1 1 295.383 -0.023 10 0 CBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCC(N)=O)[C@H]2C1 ZINC000908095275 656642295 /nfs/dbraw/zinc/64/22/95/656642295.db2.gz DMFHNRLUIJIQOZ-UWVGGRQHSA-N 1 1 255.318 -0.817 10 0 CBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H](O)C(C)(C)O ZINC000908367040 656713153 /nfs/dbraw/zinc/71/31/53/656713153.db2.gz WKQDJTRXIIRFEO-GMTAPVOTSA-N 1 1 274.361 -0.968 10 0 CBAEMO CC1(C)CC(=O)NCCN1C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913060931 657374136 /nfs/dbraw/zinc/37/41/36/657374136.db2.gz QJTQXCXNVUPIFY-RYUDHWBXSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186131 657411806 /nfs/dbraw/zinc/41/18/06/657411806.db2.gz ZYRNPLKZEYPIJO-DMDPSCGWSA-N 1 1 272.345 -0.731 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000929569893 659142231 /nfs/dbraw/zinc/14/22/31/659142231.db2.gz SJRBBOJULMGLPJ-GXTWGEPZSA-N 1 1 282.388 -0.331 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000929576426 659144604 /nfs/dbraw/zinc/14/46/04/659144604.db2.gz SMEOMGKQQZDINZ-SRVKXCTJSA-N 1 1 255.318 -0.674 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000929576426 659144613 /nfs/dbraw/zinc/14/46/13/659144613.db2.gz SMEOMGKQQZDINZ-SRVKXCTJSA-N 1 1 255.318 -0.674 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000930398625 659276731 /nfs/dbraw/zinc/27/67/31/659276731.db2.gz XYDLVMQJDFFOHW-MROQNXINSA-N 1 1 286.372 -0.560 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000930528958 659303133 /nfs/dbraw/zinc/30/31/33/659303133.db2.gz SBVWXFNKZNREAI-QJPTWQEYSA-N 1 1 291.355 -0.043 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931116533 659386456 /nfs/dbraw/zinc/38/64/56/659386456.db2.gz IERXLBUXJYYUNQ-JTQLQIEISA-N 1 1 292.343 -0.142 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931116533 659386460 /nfs/dbraw/zinc/38/64/60/659386460.db2.gz IERXLBUXJYYUNQ-JTQLQIEISA-N 1 1 292.343 -0.142 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nnn(C)n1 ZINC000932268977 659594422 /nfs/dbraw/zinc/59/44/22/659594422.db2.gz GHPSYCYIUDWEGD-DTWKUNHWSA-N 1 1 265.321 -0.090 10 0 CBAEMO CN(C)S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099724 185097667 /nfs/dbraw/zinc/09/76/67/185097667.db2.gz MVCYBZOSXJOZQI-NSHDSACASA-N 1 1 277.390 -0.676 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CCOC ZINC000174957321 529375976 /nfs/dbraw/zinc/37/59/76/529375976.db2.gz DVDIWEJOYYNXGH-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCOC ZINC000174957321 529375977 /nfs/dbraw/zinc/37/59/77/529375977.db2.gz DVDIWEJOYYNXGH-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO COc1cccc(CCNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000083481565 178502868 /nfs/dbraw/zinc/50/28/68/178502868.db2.gz KPGZFYKLMYJZCM-LLVKDONJSA-N 1 1 265.313 -0.443 10 0 CBAEMO CC[C@@H]1CN(C[C@@H](O)COC)CC[N@H+]1C[C@@H](C)O ZINC000126637298 187253347 /nfs/dbraw/zinc/25/33/47/187253347.db2.gz YIUXKRRDARKJTD-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@H+](C[C@@H](O)COC)CCN1C[C@@H](C)O ZINC000126637298 187253348 /nfs/dbraw/zinc/25/33/48/187253348.db2.gz YIUXKRRDARKJTD-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCN1C[C@@H](C)O ZINC000126637298 187253350 /nfs/dbraw/zinc/25/33/50/187253350.db2.gz YIUXKRRDARKJTD-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO O=C1C[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C(=O)N1 ZINC000103883147 185859221 /nfs/dbraw/zinc/85/92/21/185859221.db2.gz FQIMOORVSROZAE-MNOVXSKESA-N 1 1 251.330 -0.135 10 0 CBAEMO CO[C@@H]1C[C@H](CO)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352092256 219315231 /nfs/dbraw/zinc/31/52/31/219315231.db2.gz JZDLFNUDCJIYEN-FRRDWIJNSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352092256 219315233 /nfs/dbraw/zinc/31/52/33/219315233.db2.gz JZDLFNUDCJIYEN-FRRDWIJNSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352092256 219315236 /nfs/dbraw/zinc/31/52/36/219315236.db2.gz JZDLFNUDCJIYEN-FRRDWIJNSA-N 1 1 258.362 -0.477 10 0 CBAEMO CCOCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@@H]1C ZINC000105834875 186076139 /nfs/dbraw/zinc/07/61/39/186076139.db2.gz FGRXUQIIBOMOSU-JTQLQIEISA-N 1 1 295.391 -0.421 10 0 CBAEMO c1nc2[nH]c(N3CCOCC3)nc2c(N2CC[NH2+]CC2)n1 ZINC000019926695 351353984 /nfs/dbraw/zinc/35/39/84/351353984.db2.gz DGISUVLJVIEKPY-UHFFFAOYSA-N 1 1 289.343 -0.401 10 0 CBAEMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH3+])cc1 ZINC000040173601 351414221 /nfs/dbraw/zinc/41/42/21/351414221.db2.gz HYVRJQMROVEICM-QWRGUYRKSA-N 1 1 289.378 -0.107 10 0 CBAEMO COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000040832578 351419694 /nfs/dbraw/zinc/41/96/94/351419694.db2.gz GOXLEYUFQWHPQP-SNVBAGLBSA-N 1 1 279.296 -0.708 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055085698 351541096 /nfs/dbraw/zinc/54/10/96/351541096.db2.gz GCWCQCHPCFSUAT-QWHCGFSZSA-N 1 1 268.405 -0.133 10 0 CBAEMO CCOC[C@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000069277376 351627351 /nfs/dbraw/zinc/62/73/51/351627351.db2.gz REVIDIBFWBZYHI-QWHCGFSZSA-N 1 1 258.362 -0.210 10 0 CBAEMO NC(=O)[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000084962290 351718321 /nfs/dbraw/zinc/71/83/21/351718321.db2.gz CWFOJKMURJGWGT-KBPBESRZSA-N 1 1 294.351 -0.250 10 0 CBAEMO NC(=O)[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000084962290 351718324 /nfs/dbraw/zinc/71/83/24/351718324.db2.gz CWFOJKMURJGWGT-KBPBESRZSA-N 1 1 294.351 -0.250 10 0 CBAEMO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088372109 351724876 /nfs/dbraw/zinc/72/48/76/351724876.db2.gz JZCFMTRDBKZCOO-GFCCVEGCSA-N 1 1 298.364 -0.305 10 0 CBAEMO O=C(NCCOCC(F)(F)F)[C@H]1COCC[NH2+]1 ZINC000088372535 351725174 /nfs/dbraw/zinc/72/51/74/351725174.db2.gz MZMOVUSNSPVJFB-SSDOTTSWSA-N 1 1 256.224 -0.330 10 0 CBAEMO COCC[N@H+]1CCN(Cc2nncn2C)C[C@@H]1C ZINC000105834272 351791658 /nfs/dbraw/zinc/79/16/58/351791658.db2.gz LXQITFAAWDYQLY-NSHDSACASA-N 1 1 253.350 -0.032 10 0 CBAEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110433373 351799419 /nfs/dbraw/zinc/79/94/19/351799419.db2.gz HCNKZQIHJPABAI-WDEREUQCSA-N 1 1 253.346 -0.031 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000093174128 351757733 /nfs/dbraw/zinc/75/77/33/351757733.db2.gz OALAIRAIKTXSFR-ZIAGYGMSSA-N 1 1 280.416 -0.071 10 0 CBAEMO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)nn1 ZINC000095069541 351766902 /nfs/dbraw/zinc/76/69/02/351766902.db2.gz VGNVVBPWTRHRLW-SECBINFHSA-N 1 1 256.331 -0.233 10 0 CBAEMO Cc1ccnc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)n1 ZINC000095069550 351767705 /nfs/dbraw/zinc/76/77/05/351767705.db2.gz BUWINPKYZSNFHA-VIFPVBQESA-N 1 1 256.331 -0.233 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC000116317608 351821923 /nfs/dbraw/zinc/82/19/23/351821923.db2.gz IKDZTMCDZKLCJN-JTQLQIEISA-N 1 1 277.328 -0.239 10 0 CBAEMO C[NH+]1CCN(c2nc3cccnc3c(CC(N)=O)n2)CC1 ZINC000117748086 351826382 /nfs/dbraw/zinc/82/63/82/351826382.db2.gz KYWDKSRFNDPINV-UHFFFAOYSA-N 1 1 286.339 -0.196 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC000117424743 351826594 /nfs/dbraw/zinc/82/65/94/351826594.db2.gz BFHMRJNBZGNUHQ-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC000117424743 351826596 /nfs/dbraw/zinc/82/65/96/351826596.db2.gz BFHMRJNBZGNUHQ-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@@](C)(O)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000123295572 351853696 /nfs/dbraw/zinc/85/36/96/351853696.db2.gz AJFWEBPAOSQDTB-CQSZACIVSA-N 1 1 285.388 -0.184 10 0 CBAEMO Cc1ncn(C[C@@H]([NH3+])C(N)=O)c(=O)c1Br ZINC000127847925 351863754 /nfs/dbraw/zinc/86/37/54/351863754.db2.gz QCPABWNODSUHDV-RXMQYKEDSA-N 1 1 275.106 -0.873 10 0 CBAEMO COC(=O)/C=C/C(=O)OCCC[NH+]1CCOCC1 ZINC000147348347 351928134 /nfs/dbraw/zinc/92/81/34/351928134.db2.gz PRMNHBZFVYAGGY-ONEGZZNKSA-N 1 1 257.286 -0.019 10 0 CBAEMO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000173838148 352042540 /nfs/dbraw/zinc/04/25/40/352042540.db2.gz QFUCUHXQMBSQPA-OLZOCXBDSA-N 1 1 293.371 -0.153 10 0 CBAEMO Cc1nnc(SCC(=O)N2CCO[C@H](C[NH+](C)C)C2)[nH]1 ZINC000174923830 352052142 /nfs/dbraw/zinc/05/21/42/352052142.db2.gz JQSNGYCCLITKJO-SNVBAGLBSA-N 1 1 299.400 -0.006 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCN1C(=O)CNC1=O ZINC000175346200 352055669 /nfs/dbraw/zinc/05/56/69/352055669.db2.gz MLXAHMPHFLREFI-LLVKDONJSA-N 1 1 268.361 -0.046 10 0 CBAEMO C[C@@H]1CN(C(=O)NCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175628872 352057628 /nfs/dbraw/zinc/05/76/28/352057628.db2.gz WQVIQLRXBOPNDK-VXGBXAGGSA-N 1 1 298.387 -0.563 10 0 CBAEMO C[C@@H]1CN(C(=O)NCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175628842 352058194 /nfs/dbraw/zinc/05/81/94/352058194.db2.gz WQVIQLRXBOPNDK-NEPJUHHUSA-N 1 1 298.387 -0.563 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC000177011392 352070415 /nfs/dbraw/zinc/07/04/15/352070415.db2.gz XOIIPZZPQOZYPA-GFCCVEGCSA-N 1 1 298.387 -0.819 10 0 CBAEMO C[C@@H]1CN(Cc2ncnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000177234254 352071686 /nfs/dbraw/zinc/07/16/86/352071686.db2.gz NPMFOWHSNQENKR-NEPJUHHUSA-N 1 1 265.361 -0.032 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171641336 352014986 /nfs/dbraw/zinc/01/49/86/352014986.db2.gz LJGVKNWMKCMKOB-CYBMUJFWSA-N 1 1 296.415 -0.249 10 0 CBAEMO C[C@H]1C[N@@H+](CCOCCO)C[C@@H]1N1CCOCC1 ZINC000177264102 352072789 /nfs/dbraw/zinc/07/27/89/352072789.db2.gz PQDPZQNDRKIZHH-STQMWFEESA-N 1 1 258.362 -0.352 10 0 CBAEMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171749735 352015798 /nfs/dbraw/zinc/01/57/98/352015798.db2.gz NOCJHLHJEOXWEO-KGLIPLIRSA-N 1 1 297.447 -0.032 10 0 CBAEMO CCS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171893126 352017703 /nfs/dbraw/zinc/01/77/03/352017703.db2.gz XNKJCUBCESLUQQ-LLVKDONJSA-N 1 1 289.401 -0.089 10 0 CBAEMO CCS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171893126 352017708 /nfs/dbraw/zinc/01/77/08/352017708.db2.gz XNKJCUBCESLUQQ-LLVKDONJSA-N 1 1 289.401 -0.089 10 0 CBAEMO CCCC[N@H+](CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000171883289 352018066 /nfs/dbraw/zinc/01/80/66/352018066.db2.gz NSYJANDBCSPTOQ-LLVKDONJSA-N 1 1 271.361 -0.443 10 0 CBAEMO CCS(=O)(=O)NCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171950554 352019320 /nfs/dbraw/zinc/01/93/20/352019320.db2.gz RAAQEMYNEXDIFO-LLVKDONJSA-N 1 1 261.391 -0.294 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177242791 352073268 /nfs/dbraw/zinc/07/32/68/352073268.db2.gz CKHGXHQOTXKXDQ-VXGBXAGGSA-N 1 1 298.387 -0.515 10 0 CBAEMO OC[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000186502145 352128368 /nfs/dbraw/zinc/12/83/68/352128368.db2.gz IGSLXFCWNFJQNK-KKUMJFAQSA-N 1 1 281.352 -0.008 10 0 CBAEMO C[N@@H+](C[C@@H](O)CN1CCCC1=O)CC1(CO)CC1 ZINC000186820870 352132572 /nfs/dbraw/zinc/13/25/72/352132572.db2.gz QHCILQBYDGYVPJ-LLVKDONJSA-N 1 1 256.346 -0.326 10 0 CBAEMO Cn1nccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000178881252 352084420 /nfs/dbraw/zinc/08/44/20/352084420.db2.gz ZLSCGGUZBJQZNV-JTQLQIEISA-N 1 1 277.328 -0.335 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCCCCC1 ZINC000179179360 352088261 /nfs/dbraw/zinc/08/82/61/352088261.db2.gz FQZBLNGHSALEJD-NEPJUHHUSA-N 1 1 256.346 -0.184 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCCCCC1 ZINC000179179360 352088264 /nfs/dbraw/zinc/08/82/64/352088264.db2.gz FQZBLNGHSALEJD-NEPJUHHUSA-N 1 1 256.346 -0.184 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000179172415 352088582 /nfs/dbraw/zinc/08/85/82/352088582.db2.gz QUSDLIQWSIWLBW-SYQHCUMBSA-N 1 1 298.383 -0.416 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000179172415 352088583 /nfs/dbraw/zinc/08/85/83/352088583.db2.gz QUSDLIQWSIWLBW-SYQHCUMBSA-N 1 1 298.383 -0.416 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000180481739 352094510 /nfs/dbraw/zinc/09/45/10/352094510.db2.gz WJDCXHDDKVQTJZ-ZDUSSCGKSA-N 1 1 292.387 -0.311 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000180481739 352094513 /nfs/dbraw/zinc/09/45/13/352094513.db2.gz WJDCXHDDKVQTJZ-ZDUSSCGKSA-N 1 1 292.387 -0.311 10 0 CBAEMO O=C(CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000181852718 352102327 /nfs/dbraw/zinc/10/23/27/352102327.db2.gz RVWSYCMPRWOBMT-LBPRGKRZSA-N 1 1 296.371 -0.665 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000182567559 352105310 /nfs/dbraw/zinc/10/53/10/352105310.db2.gz SIFKDIOIPDNUIK-NWDGAFQWSA-N 1 1 278.418 -0.144 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185150685 352115989 /nfs/dbraw/zinc/11/59/89/352115989.db2.gz DKKJFADCHXOJIE-MNOVXSKESA-N 1 1 290.319 -0.290 10 0 CBAEMO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000185188699 352117238 /nfs/dbraw/zinc/11/72/38/352117238.db2.gz UAIUVWZVIKVAMR-VXGBXAGGSA-N 1 1 256.346 -0.137 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC(NC(=O)COC)C2)C1 ZINC000188480567 352152513 /nfs/dbraw/zinc/15/25/13/352152513.db2.gz GNYQIYMJOPYQBT-LLVKDONJSA-N 1 1 298.387 -0.373 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CC(NC(=O)COC)C2)C1 ZINC000188480536 352152689 /nfs/dbraw/zinc/15/26/89/352152689.db2.gz GNYQIYMJOPYQBT-NSHDSACASA-N 1 1 298.387 -0.373 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191366060 352188409 /nfs/dbraw/zinc/18/84/09/352188409.db2.gz XKQWSYBAABNUDK-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)COC)CC1 ZINC000193372641 352204290 /nfs/dbraw/zinc/20/42/90/352204290.db2.gz SZRNXJMYMYMYNG-ZDUSSCGKSA-N 1 1 288.388 -0.045 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CCO)C1 ZINC000227568618 352258384 /nfs/dbraw/zinc/25/83/84/352258384.db2.gz FEANBQSWHXRZML-GFCCVEGCSA-N 1 1 285.388 -0.325 10 0 CBAEMO CCN(CC(C)(O)O)[C@@H](O)C[N@@H+](CC)C[C@H](C)O ZINC000230516143 352273636 /nfs/dbraw/zinc/27/36/36/352273636.db2.gz LELFURRFUGDSSE-QWRGUYRKSA-N 1 1 264.366 -0.970 10 0 CBAEMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224245918 352246472 /nfs/dbraw/zinc/24/64/72/352246472.db2.gz HCNKZQIHJPABAI-MNOVXSKESA-N 1 1 253.346 -0.031 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000224159004 352246519 /nfs/dbraw/zinc/24/65/19/352246519.db2.gz YMGJWEVKSQHRHP-MNOVXSKESA-N 1 1 271.361 -0.181 10 0 CBAEMO O=C(NCC[NH+]1CCSCC1)[C@H]1COCCN1 ZINC000226389234 352252233 /nfs/dbraw/zinc/25/22/33/352252233.db2.gz TZGOKBCCTWFFBH-SNVBAGLBSA-N 1 1 259.375 -0.860 10 0 CBAEMO COC(=O)CNC(=O)CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248366439 352351584 /nfs/dbraw/zinc/35/15/84/352351584.db2.gz SCIPIEMORJLIDI-LBPRGKRZSA-N 1 1 283.372 -0.164 10 0 CBAEMO COC(=O)CNC(=O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248366439 352351586 /nfs/dbraw/zinc/35/15/86/352351586.db2.gz SCIPIEMORJLIDI-LBPRGKRZSA-N 1 1 283.372 -0.164 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248366439 352351588 /nfs/dbraw/zinc/35/15/88/352351588.db2.gz SCIPIEMORJLIDI-LBPRGKRZSA-N 1 1 283.372 -0.164 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000248567417 352353533 /nfs/dbraw/zinc/35/35/33/352353533.db2.gz FHAVLQAXSIYIKH-ZJUUUORDSA-N 1 1 296.327 -0.473 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000248567417 352353537 /nfs/dbraw/zinc/35/35/37/352353537.db2.gz FHAVLQAXSIYIKH-ZJUUUORDSA-N 1 1 296.327 -0.473 10 0 CBAEMO CC[C@@H]1CN(C(=O)CN(C)C)CC[N@H+]1C[C@H](C)O ZINC000248507018 352354128 /nfs/dbraw/zinc/35/41/28/352354128.db2.gz XCZQKOZYAGFJAV-NWDGAFQWSA-N 1 1 257.378 -0.148 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000245476616 352321394 /nfs/dbraw/zinc/32/13/94/352321394.db2.gz SZDMPEZSFUJONA-CHWSQXEVSA-N 1 1 298.431 -0.005 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@H]2CCNC2=O)C[C@H]1C ZINC000245674226 352322925 /nfs/dbraw/zinc/32/29/25/352322925.db2.gz GFAJAZKWIICDKJ-NEPJUHHUSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCOCC[N@H+]1CCN([C@H]2CCNC2=O)C[C@H]1C ZINC000245674226 352322928 /nfs/dbraw/zinc/32/29/28/352322928.db2.gz GFAJAZKWIICDKJ-NEPJUHHUSA-N 1 1 255.362 -0.083 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248619665 352354862 /nfs/dbraw/zinc/35/48/62/352354862.db2.gz MRXOHASUJJHOAA-QWRGUYRKSA-N 1 1 259.350 -0.271 10 0 CBAEMO CNC(=O)NC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246248416 352330325 /nfs/dbraw/zinc/33/03/25/352330325.db2.gz WEJZKBWDTONVHG-JTQLQIEISA-N 1 1 254.334 -0.388 10 0 CBAEMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000246283310 352331625 /nfs/dbraw/zinc/33/16/25/352331625.db2.gz AZNQSNCHDDLLKO-RISCZKNCSA-N 1 1 284.356 -0.145 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248663479 352355334 /nfs/dbraw/zinc/35/53/34/352355334.db2.gz ZRAUHMACJAOHOO-NEPJUHHUSA-N 1 1 294.417 -0.213 10 0 CBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000246553757 352335263 /nfs/dbraw/zinc/33/52/63/352335263.db2.gz WEXWDQYLCBFOAH-WDEREUQCSA-N 1 1 268.361 -0.144 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000246735441 352337404 /nfs/dbraw/zinc/33/74/04/352337404.db2.gz MMTJOCWYCRUFEW-QWRGUYRKSA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000246735441 352337407 /nfs/dbraw/zinc/33/74/07/352337407.db2.gz MMTJOCWYCRUFEW-QWRGUYRKSA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2ccnn2)C[C@@H]1C ZINC000246688944 352337747 /nfs/dbraw/zinc/33/77/47/352337747.db2.gz JHRQWWMTWHCLSA-RYUDHWBXSA-N 1 1 281.360 -0.418 10 0 CBAEMO CCOCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246952949 352341350 /nfs/dbraw/zinc/34/13/50/352341350.db2.gz NWMYUAJMAOHQTI-KBPBESRZSA-N 1 1 299.415 -0.208 10 0 CBAEMO CC[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246944378 352341502 /nfs/dbraw/zinc/34/15/02/352341502.db2.gz RXGJNJXKRZSVLA-CMPLNLGQSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1C[C@H](C)O ZINC000246944378 352341505 /nfs/dbraw/zinc/34/15/05/352341505.db2.gz RXGJNJXKRZSVLA-CMPLNLGQSA-N 1 1 283.372 -0.431 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nncn2C)C[C@H]1C ZINC000247041928 352342046 /nfs/dbraw/zinc/34/20/46/352342046.db2.gz DUYKFZZUCCZLOA-MNOVXSKESA-N 1 1 253.350 -0.298 10 0 CBAEMO CCOCC[N@H+]1CCN(CCCS(N)(=O)=O)C[C@H]1C ZINC000247094926 352342928 /nfs/dbraw/zinc/34/29/28/352342928.db2.gz HVRQJDFKZGECCX-GFCCVEGCSA-N 1 1 293.433 -0.292 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(N)nc(N)n1 ZINC000247189151 352343674 /nfs/dbraw/zinc/34/36/74/352343674.db2.gz LFCKWMQOSWSABR-IUCAKERBSA-N 1 1 263.349 -0.296 10 0 CBAEMO COC(=O)CNC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247123204 352343924 /nfs/dbraw/zinc/34/39/24/352343924.db2.gz JCGHOZXHLNDUGE-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC000247542911 352346737 /nfs/dbraw/zinc/34/67/37/352346737.db2.gz YOSCDEHTQKJNJH-ZJUUUORDSA-N 1 1 280.328 -0.767 10 0 CBAEMO CN1CCO[C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247648801 352348071 /nfs/dbraw/zinc/34/80/71/352348071.db2.gz VZNDQGZAIALFCW-QWHCGFSZSA-N 1 1 282.388 -0.193 10 0 CBAEMO COCC[N@@H+]1CCN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000247576568 352348091 /nfs/dbraw/zinc/34/80/91/352348091.db2.gz XRSYEOTUTADEMD-NEPJUHHUSA-N 1 1 255.362 -0.130 10 0 CBAEMO COCC[N@H+]1CCN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000247576568 352348094 /nfs/dbraw/zinc/34/80/94/352348094.db2.gz XRSYEOTUTADEMD-NEPJUHHUSA-N 1 1 255.362 -0.130 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)cn1 ZINC000247579906 352348469 /nfs/dbraw/zinc/34/84/69/352348469.db2.gz YIUCOJZVKPUKMW-HIFRSBDPSA-N 1 1 294.399 -0.098 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247648803 352348492 /nfs/dbraw/zinc/34/84/92/352348492.db2.gz VZNDQGZAIALFCW-STQMWFEESA-N 1 1 282.388 -0.193 10 0 CBAEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCNC(=O)C1 ZINC000248163182 352350055 /nfs/dbraw/zinc/35/00/55/352350055.db2.gz SMEAAMMITIWHRW-DOMZBBRYSA-N 1 1 295.383 -0.428 10 0 CBAEMO O=C1CNC(=O)N1CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000248327813 352350191 /nfs/dbraw/zinc/35/01/91/352350191.db2.gz CPIWQSNDUGKEDO-LLVKDONJSA-N 1 1 266.345 -0.292 10 0 CBAEMO NS(=O)(=O)CCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000248326065 352350202 /nfs/dbraw/zinc/35/02/02/352350202.db2.gz BQYJGQOFBQTYIG-LLVKDONJSA-N 1 1 261.391 -0.165 10 0 CBAEMO COCCO[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000249376559 352364282 /nfs/dbraw/zinc/36/42/82/352364282.db2.gz OFTAUDBUDRXUAW-CHWSQXEVSA-N 1 1 286.372 -0.293 10 0 CBAEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000249391193 352364716 /nfs/dbraw/zinc/36/47/16/352364716.db2.gz QVRGVDFJFNRJHR-QWRGUYRKSA-N 1 1 279.406 -0.348 10 0 CBAEMO C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)[C@@H](C(N)=O)C1 ZINC000249600266 352369760 /nfs/dbraw/zinc/36/97/60/352369760.db2.gz XYTVWASXSVAHJE-IJLUTSLNSA-N 1 1 283.372 -0.445 10 0 CBAEMO C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)[C@@H](C(N)=O)C1 ZINC000249600266 352369763 /nfs/dbraw/zinc/36/97/63/352369763.db2.gz XYTVWASXSVAHJE-IJLUTSLNSA-N 1 1 283.372 -0.445 10 0 CBAEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1COCCN1 ZINC000251077062 352374301 /nfs/dbraw/zinc/37/43/01/352374301.db2.gz GMOFTXGRPWIHHS-CMPLNLGQSA-N 1 1 253.346 -0.425 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000251762400 352374771 /nfs/dbraw/zinc/37/47/71/352374771.db2.gz LWWXLFSHTOBYAY-ZJUUUORDSA-N 1 1 264.333 -0.445 10 0 CBAEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000251738005 352375339 /nfs/dbraw/zinc/37/53/39/352375339.db2.gz KRIQHZLXVQJUOV-RYUDHWBXSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000251738005 352375342 /nfs/dbraw/zinc/37/53/42/352375342.db2.gz KRIQHZLXVQJUOV-RYUDHWBXSA-N 1 1 280.372 -0.887 10 0 CBAEMO Nc1nc(N)nc(CN2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000252648671 352379385 /nfs/dbraw/zinc/37/93/85/352379385.db2.gz AMDDXAXPJPNMQK-SECBINFHSA-N 1 1 263.349 -0.294 10 0 CBAEMO C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)NC(C)(C)C ZINC000261937354 352400611 /nfs/dbraw/zinc/40/06/11/352400611.db2.gz MKQAZNSXUUTXNK-AEJSXWLSSA-N 1 1 271.361 -0.217 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2noc(CN)n2)C[C@H]1C ZINC000262177547 352409442 /nfs/dbraw/zinc/40/94/42/352409442.db2.gz IGPMORKQRMVOOL-ZJUUUORDSA-N 1 1 269.349 -0.585 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000262251953 352412612 /nfs/dbraw/zinc/41/26/12/352412612.db2.gz LPBMIQHQHLBIQN-CRWXNKLISA-N 1 1 299.415 -0.333 10 0 CBAEMO COC[C@@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262330057 352416569 /nfs/dbraw/zinc/41/65/69/352416569.db2.gz RMSNFOCYXAUKCV-GFCCVEGCSA-N 1 1 285.388 -0.279 10 0 CBAEMO COC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262344562 352417102 /nfs/dbraw/zinc/41/71/02/352417102.db2.gz TUWCDFFDNSRKNE-NEPJUHHUSA-N 1 1 255.362 -0.096 10 0 CBAEMO COC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262344569 352417326 /nfs/dbraw/zinc/41/73/26/352417326.db2.gz TUWCDFFDNSRKNE-RYUDHWBXSA-N 1 1 255.362 -0.096 10 0 CBAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262375435 352419365 /nfs/dbraw/zinc/41/93/65/352419365.db2.gz WNDQKMVQUDDZPC-RDBSUJKOSA-N 1 1 299.415 -0.164 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNC(=O)C(C)(C)C ZINC000262044949 352404271 /nfs/dbraw/zinc/40/42/71/352404271.db2.gz ZABPZKKQMPWPRG-ZJUUUORDSA-N 1 1 271.361 -0.358 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNC(=O)c1cccs1 ZINC000262051268 352405031 /nfs/dbraw/zinc/40/50/31/352405031.db2.gz ZPYMFKYSATVIHP-KOLCDFICSA-N 1 1 297.380 -0.029 10 0 CBAEMO COC(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)o1 ZINC000284789868 352636943 /nfs/dbraw/zinc/63/69/43/352636943.db2.gz IXKHKURJRPAHSB-CYBMUJFWSA-N 1 1 282.296 -0.122 10 0 CBAEMO COC(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)o1 ZINC000284789868 352636947 /nfs/dbraw/zinc/63/69/47/352636947.db2.gz IXKHKURJRPAHSB-CYBMUJFWSA-N 1 1 282.296 -0.122 10 0 CBAEMO CN(C)c1cc[nH+]c(NC[C@H](O)CN2CCOCC2)n1 ZINC000301730449 352737500 /nfs/dbraw/zinc/73/75/00/352737500.db2.gz OSBICBOXTLAMAX-NSHDSACASA-N 1 1 281.360 -0.352 10 0 CBAEMO Cc1cnn(CC[N@H+]2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000311231416 352766782 /nfs/dbraw/zinc/76/67/82/352766782.db2.gz BAXLQBBLXISALU-LBPRGKRZSA-N 1 1 252.318 -0.496 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336812500 353057889 /nfs/dbraw/zinc/05/78/89/353057889.db2.gz RLPFFKROAVHUNP-AAEUAGOBSA-N 1 1 274.361 -0.524 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000336832448 353061954 /nfs/dbraw/zinc/06/19/54/353061954.db2.gz FGUCUQHSYQGJDM-CYBMUJFWSA-N 1 1 275.312 -0.459 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000336832448 353061957 /nfs/dbraw/zinc/06/19/57/353061957.db2.gz FGUCUQHSYQGJDM-CYBMUJFWSA-N 1 1 275.312 -0.459 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336786042 353051557 /nfs/dbraw/zinc/05/15/57/353051557.db2.gz AZWOSOCDSMYGJK-PWSUYJOCSA-N 1 1 260.334 -0.914 10 0 CBAEMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000152443142 188019816 /nfs/dbraw/zinc/01/98/16/188019816.db2.gz OZZTVSGWEKCQDA-JTQLQIEISA-N 1 1 257.334 -0.793 10 0 CBAEMO [NH3+]Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@H]32)no1 ZINC000261881713 137702049 /nfs/dbraw/zinc/70/20/49/137702049.db2.gz YNJNMMCSZAEZSA-DTWKUNHWSA-N 1 1 265.317 -0.229 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000352678962 353501363 /nfs/dbraw/zinc/50/13/63/353501363.db2.gz YMCKWYWVPMQMHQ-VXGBXAGGSA-N 1 1 255.362 -0.394 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262209279 137710453 /nfs/dbraw/zinc/71/04/53/137710453.db2.gz ITAUTESUEQIZBF-LNLATYFQSA-N 1 1 267.329 -0.757 10 0 CBAEMO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](N)COC)C1 ZINC000262228669 137711402 /nfs/dbraw/zinc/71/14/02/137711402.db2.gz GNICPVNKTMYVQU-CHWSQXEVSA-N 1 1 287.404 -0.081 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1C(=O)OC ZINC000380594866 353782316 /nfs/dbraw/zinc/78/23/16/353782316.db2.gz YIJBSUHXNRHPRO-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1O ZINC000380673943 353783338 /nfs/dbraw/zinc/78/33/38/353783338.db2.gz CJPFRTQVDYRKKB-NXEZZACHSA-N 1 1 250.364 -0.420 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@@H]1C ZINC000374227653 353742808 /nfs/dbraw/zinc/74/28/08/353742808.db2.gz ZPYBGOXRTAZRLZ-HUBLWGQQSA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@@H]1C ZINC000374227653 353742811 /nfs/dbraw/zinc/74/28/11/353742811.db2.gz ZPYBGOXRTAZRLZ-HUBLWGQQSA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@@H]1C ZINC000374227656 353742918 /nfs/dbraw/zinc/74/29/18/353742918.db2.gz ZPYBGOXRTAZRLZ-SLEUVZQESA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@@H]1C ZINC000374227656 353742923 /nfs/dbraw/zinc/74/29/23/353742923.db2.gz ZPYBGOXRTAZRLZ-SLEUVZQESA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CC[NH2+]C1 ZINC000400184911 353800383 /nfs/dbraw/zinc/80/03/83/353800383.db2.gz TYRDIJISSSSJDQ-DCAQKATOSA-N 1 1 261.391 -0.392 10 0 CBAEMO C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CC[NH2+]C1 ZINC000400184913 353800596 /nfs/dbraw/zinc/80/05/96/353800596.db2.gz TYRDIJISSSSJDQ-GARJFASQSA-N 1 1 261.391 -0.392 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401743322 353803375 /nfs/dbraw/zinc/80/33/75/353803375.db2.gz LZHYGYSWUQZYQY-GUBZILKMSA-N 1 1 257.334 -0.077 10 0 CBAEMO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000401852326 353804295 /nfs/dbraw/zinc/80/42/95/353804295.db2.gz VIZYITFZZJNUKU-NWDGAFQWSA-N 1 1 255.362 -0.537 10 0 CBAEMO Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)n[nH]1 ZINC000404038717 353805832 /nfs/dbraw/zinc/80/58/32/353805832.db2.gz ZONMSARHRBHHPU-MNOVXSKESA-N 1 1 250.302 -0.079 10 0 CBAEMO CC(C)OCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404168469 353805997 /nfs/dbraw/zinc/80/59/97/353805997.db2.gz UQELWVICYOMWEO-VXGBXAGGSA-N 1 1 292.401 -0.196 10 0 CBAEMO COC(=O)[C@](C)(O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000588960259 355063800 /nfs/dbraw/zinc/06/38/00/355063800.db2.gz VLHMNCUOAHJBGO-CMPLNLGQSA-N 1 1 260.334 -0.827 10 0 CBAEMO O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@@H]1CO ZINC000616639415 356104951 /nfs/dbraw/zinc/10/49/51/356104951.db2.gz MLZXCSODDCRCQW-SNVBAGLBSA-N 1 1 256.327 -0.359 10 0 CBAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](C(N)=O)C1 ZINC000616662389 356107622 /nfs/dbraw/zinc/10/76/22/356107622.db2.gz AKQLXZSUFBVSOR-JTQLQIEISA-N 1 1 287.360 -0.055 10 0 CBAEMO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616638906 356104445 /nfs/dbraw/zinc/10/44/45/356104445.db2.gz NEGRNLPQAIYGDK-LBPRGKRZSA-N 1 1 298.368 -0.205 10 0 CBAEMO Cc1nccnc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000621726735 356282786 /nfs/dbraw/zinc/28/27/86/356282786.db2.gz DWQCMKKAEZUUAC-GFCCVEGCSA-N 1 1 250.302 -0.403 10 0 CBAEMO C[C@@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000631840179 356910233 /nfs/dbraw/zinc/91/02/33/356910233.db2.gz QNURUDUEXNJESN-MNOVXSKESA-N 1 1 263.407 -0.206 10 0 CBAEMO C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000638106636 357419153 /nfs/dbraw/zinc/41/91/53/357419153.db2.gz COPBUYKLGCQUOF-DGCLKSJQSA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000638106636 357419159 /nfs/dbraw/zinc/41/91/59/357419159.db2.gz COPBUYKLGCQUOF-DGCLKSJQSA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCNCC1=O ZINC000638109023 357419417 /nfs/dbraw/zinc/41/94/17/357419417.db2.gz QWPXJBDSLDECRD-RYUDHWBXSA-N 1 1 280.372 -0.887 10 0 CBAEMO NC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328948511 283264691 /nfs/dbraw/zinc/26/46/91/283264691.db2.gz WFIYFKXOIUFVQW-WPRPVWTQSA-N 1 1 252.318 -0.094 10 0 CBAEMO NC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328948511 283264696 /nfs/dbraw/zinc/26/46/96/283264696.db2.gz WFIYFKXOIUFVQW-WPRPVWTQSA-N 1 1 252.318 -0.094 10 0 CBAEMO CCc1nnc(CN2CC[N@H+](C)C[C@H]2CO)n1C ZINC000639869278 357614358 /nfs/dbraw/zinc/61/43/58/357614358.db2.gz CJNQWDHUPBCLBK-JTQLQIEISA-N 1 1 253.350 -0.514 10 0 CBAEMO CCc1nnc(CN2CC[N@@H+](C)C[C@H]2CO)n1C ZINC000639869278 357614362 /nfs/dbraw/zinc/61/43/62/357614362.db2.gz CJNQWDHUPBCLBK-JTQLQIEISA-N 1 1 253.350 -0.514 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000639872199 357615792 /nfs/dbraw/zinc/61/57/92/357615792.db2.gz OMNPISDFYGEJTC-STQMWFEESA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639872199 357615797 /nfs/dbraw/zinc/61/57/97/357615797.db2.gz OMNPISDFYGEJTC-STQMWFEESA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639872199 357615800 /nfs/dbraw/zinc/61/58/00/357615800.db2.gz OMNPISDFYGEJTC-STQMWFEESA-N 1 1 260.378 -0.228 10 0 CBAEMO Cn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)nn1 ZINC000329298783 202272463 /nfs/dbraw/zinc/27/24/63/202272463.db2.gz UNYVBNMLQSJLEM-GFCCVEGCSA-N 1 1 251.334 -0.232 10 0 CBAEMO Cn1cc(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)nn1 ZINC000329298783 202272467 /nfs/dbraw/zinc/27/24/67/202272467.db2.gz UNYVBNMLQSJLEM-GFCCVEGCSA-N 1 1 251.334 -0.232 10 0 CBAEMO Cn1cc(CNC[C@@H]2C[N@H+](C3CC3)CCO2)nn1 ZINC000329298783 202272471 /nfs/dbraw/zinc/27/24/71/202272471.db2.gz UNYVBNMLQSJLEM-GFCCVEGCSA-N 1 1 251.334 -0.232 10 0 CBAEMO C[C@H]1CN(C(=O)c2cnn3ccncc23)CC[N@@H+]1CCO ZINC000329475899 202352070 /nfs/dbraw/zinc/35/20/70/202352070.db2.gz BIHGVTFFNMYIDY-NSHDSACASA-N 1 1 289.339 -0.132 10 0 CBAEMO C[C@H]1CN(C(=O)c2cnn3ccncc23)CC[N@H+]1CCO ZINC000329475899 202352073 /nfs/dbraw/zinc/35/20/73/202352073.db2.gz BIHGVTFFNMYIDY-NSHDSACASA-N 1 1 289.339 -0.132 10 0 CBAEMO Cn1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000177971806 189082361 /nfs/dbraw/zinc/08/23/61/189082361.db2.gz VWVMSUGOOAPUTI-NSHDSACASA-N 1 1 277.328 -0.335 10 0 CBAEMO COCCN(C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113305781 372789730 /nfs/dbraw/zinc/78/97/30/372789730.db2.gz UHVHZXBPVSSCGM-VXGBXAGGSA-N 1 1 291.417 -0.022 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000113231556 372790589 /nfs/dbraw/zinc/79/05/89/372790589.db2.gz RQQUFWYPZCELAN-WDEREUQCSA-N 1 1 289.401 -0.427 10 0 CBAEMO COC(=O)CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920286 372782721 /nfs/dbraw/zinc/78/27/21/372782721.db2.gz UGFRTBBGKTUHKZ-UHFFFAOYSA-N 1 1 294.355 -0.116 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919573 372782972 /nfs/dbraw/zinc/78/29/72/372782972.db2.gz NTXIUZDMSRGOOF-NSHDSACASA-N 1 1 295.343 -0.721 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000344681028 217274319 /nfs/dbraw/zinc/27/43/19/217274319.db2.gz QXRVWDOPGPDFDH-IJLUTSLNSA-N 1 1 292.401 -0.651 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000286048293 372954135 /nfs/dbraw/zinc/95/41/35/372954135.db2.gz FFVVWHYTMOQDND-ZDUSSCGKSA-N 1 1 281.312 -0.792 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344730786 217291835 /nfs/dbraw/zinc/29/18/35/217291835.db2.gz UWTALRBRLGAVSP-GHMZBOCLSA-N 1 1 260.334 -0.779 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344730786 217291838 /nfs/dbraw/zinc/29/18/38/217291838.db2.gz UWTALRBRLGAVSP-GHMZBOCLSA-N 1 1 260.334 -0.779 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000286048293 372954150 /nfs/dbraw/zinc/95/41/50/372954150.db2.gz FFVVWHYTMOQDND-ZDUSSCGKSA-N 1 1 281.312 -0.792 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846100 373059579 /nfs/dbraw/zinc/05/95/79/373059579.db2.gz GTGNKJMAVZVDQV-GHMZBOCLSA-N 1 1 277.386 -0.107 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846100 373059588 /nfs/dbraw/zinc/05/95/88/373059588.db2.gz GTGNKJMAVZVDQV-GHMZBOCLSA-N 1 1 277.386 -0.107 10 0 CBAEMO COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000352371492 373102941 /nfs/dbraw/zinc/10/29/41/373102941.db2.gz JGTHBPKKWURAGR-MFKMUULPSA-N 1 1 272.345 -0.114 10 0 CBAEMO C[NH+](C)CCOC(=S)N[C@H]1CCS(=O)(=O)C1 ZINC000040168377 220193993 /nfs/dbraw/zinc/19/39/93/220193993.db2.gz ZDKOPDNBRFYFGD-QMMMGPOBSA-N 1 1 266.388 -0.374 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399078543 373585921 /nfs/dbraw/zinc/58/59/21/373585921.db2.gz SMBHKOHLEWZROZ-TUVASFSCSA-N 1 1 284.400 -0.228 10 0 CBAEMO CCOC(C[N@H+]1CCC[C@@](O)(C(N)=O)C1)OCC ZINC000375460632 373566932 /nfs/dbraw/zinc/56/69/32/373566932.db2.gz PNMNMBMYVPRRBN-LBPRGKRZSA-N 1 1 260.334 -0.302 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NC(=O)NC1CCCC1 ZINC000548444849 374197729 /nfs/dbraw/zinc/19/77/29/374197729.db2.gz KGDCBOGIOAUVLS-MNOVXSKESA-N 1 1 285.344 -0.818 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NC(=O)NC1CCCC1 ZINC000548444849 374197733 /nfs/dbraw/zinc/19/77/33/374197733.db2.gz KGDCBOGIOAUVLS-MNOVXSKESA-N 1 1 285.344 -0.818 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000647040894 374871919 /nfs/dbraw/zinc/87/19/19/374871919.db2.gz ARQFLMDVWOGCTH-KCJUWKMLSA-N 1 1 261.285 -0.732 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000647040895 374872044 /nfs/dbraw/zinc/87/20/44/374872044.db2.gz ARQFLMDVWOGCTH-KWQFWETISA-N 1 1 261.285 -0.732 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000647040896 374872248 /nfs/dbraw/zinc/87/22/48/374872248.db2.gz ARQFLMDVWOGCTH-LDYMZIIASA-N 1 1 261.285 -0.732 10 0 CBAEMO CN[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000262359004 190053511 /nfs/dbraw/zinc/05/35/11/190053511.db2.gz KCARRKKPWBSVQC-RYUDHWBXSA-N 1 1 265.361 -0.109 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000357034167 248314125 /nfs/dbraw/zinc/31/41/25/248314125.db2.gz CPDXTBZTJVDLBM-UTUOFQBUSA-N 1 1 298.387 -0.388 10 0 CBAEMO NC(=O)NC(=O)CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246143922 295071802 /nfs/dbraw/zinc/07/18/02/295071802.db2.gz FFJZYNNSXXGGSJ-SNVBAGLBSA-N 1 1 254.334 -0.259 10 0 CBAEMO NC(=O)NC(=O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000246143922 295071805 /nfs/dbraw/zinc/07/18/05/295071805.db2.gz FFJZYNNSXXGGSJ-SNVBAGLBSA-N 1 1 254.334 -0.259 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000246143922 295071807 /nfs/dbraw/zinc/07/18/07/295071807.db2.gz FFJZYNNSXXGGSJ-SNVBAGLBSA-N 1 1 254.334 -0.259 10 0 CBAEMO OCCOCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000132951658 207374527 /nfs/dbraw/zinc/37/45/27/207374527.db2.gz CMILYVAMVOZFSZ-UHFFFAOYSA-N 1 1 292.343 -0.745 10 0 CBAEMO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)COC ZINC000262283315 285036046 /nfs/dbraw/zinc/03/60/46/285036046.db2.gz LZIQYHJZKOAGSL-QWRGUYRKSA-N 1 1 259.350 -0.813 10 0 CBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)COC ZINC000262283315 285036052 /nfs/dbraw/zinc/03/60/52/285036052.db2.gz LZIQYHJZKOAGSL-QWRGUYRKSA-N 1 1 259.350 -0.813 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000177704778 285241214 /nfs/dbraw/zinc/24/12/14/285241214.db2.gz KHDNCQLXXIQDDF-VHSXEESVSA-N 1 1 256.350 -0.014 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1C ZINC000186437552 286087369 /nfs/dbraw/zinc/08/73/69/286087369.db2.gz UOJPJQZEWQMLNW-QWRGUYRKSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1C ZINC000186437552 286087371 /nfs/dbraw/zinc/08/73/71/286087371.db2.gz UOJPJQZEWQMLNW-QWRGUYRKSA-N 1 1 286.376 -0.388 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CCN1CCOC ZINC000262745803 287136269 /nfs/dbraw/zinc/13/62/69/287136269.db2.gz AFXIMPUIUPZUOR-CHWSQXEVSA-N 1 1 287.404 -0.081 10 0 CBAEMO CC[C@@H]1CN(CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC000107304038 287195590 /nfs/dbraw/zinc/19/55/90/287195590.db2.gz MBNPPRROTAIZPQ-GFCCVEGCSA-N 1 1 293.433 -0.422 10 0 CBAEMO CC[C@@H]1CN(CCN2C(=O)CCC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105826979 287194030 /nfs/dbraw/zinc/19/40/30/287194030.db2.gz OEAXMTKVTNSANY-CHWSQXEVSA-N 1 1 297.399 -0.088 10 0 CBAEMO O=C(C[NH2+][C@@H]1CCS(=O)(=O)C1)NC1CCCC1 ZINC000020038778 170975209 /nfs/dbraw/zinc/97/52/09/170975209.db2.gz CGQRNSZSFLJXRQ-SNVBAGLBSA-N 1 1 260.359 -0.178 10 0 CBAEMO CCN1CCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247717 171101489 /nfs/dbraw/zinc/10/14/89/171101489.db2.gz BWVDEGIOFWCLCI-LLVKDONJSA-N 1 1 276.406 -0.790 10 0 CBAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCNS(C)(=O)=O)C2 ZINC000020524057 171237036 /nfs/dbraw/zinc/23/70/36/171237036.db2.gz BUKNKNUXWQDNHW-FGWVZKOKSA-N 1 1 261.391 -0.250 10 0 CBAEMO NC(=O)C[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000035415155 172189797 /nfs/dbraw/zinc/18/97/97/172189797.db2.gz NLJXTMOUMUZMOW-UHFFFAOYSA-N 1 1 253.327 -0.292 10 0 CBAEMO C[C@H](NCCNS(C)(=O)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000037221747 173042026 /nfs/dbraw/zinc/04/20/26/173042026.db2.gz SOOJCEOBKBTHEP-WDEREUQCSA-N 1 1 263.407 -0.145 10 0 CBAEMO C[C@H](NCCNS(C)(=O)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221747 173042028 /nfs/dbraw/zinc/04/20/28/173042028.db2.gz SOOJCEOBKBTHEP-WDEREUQCSA-N 1 1 263.407 -0.145 10 0 CBAEMO Cc1nccc(C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000038037917 174038841 /nfs/dbraw/zinc/03/88/41/174038841.db2.gz CKICMMLUESOTLC-UHFFFAOYSA-N 1 1 275.312 -0.528 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cccn1 ZINC000040495730 174294794 /nfs/dbraw/zinc/29/47/94/174294794.db2.gz ATVOLPWTMLUGLE-LLVKDONJSA-N 1 1 287.323 -0.309 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189205 176064726 /nfs/dbraw/zinc/06/47/26/176064726.db2.gz LRCMFGHDOBMCJL-GFCCVEGCSA-N 1 1 254.378 -0.698 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189205 176064728 /nfs/dbraw/zinc/06/47/28/176064728.db2.gz LRCMFGHDOBMCJL-GFCCVEGCSA-N 1 1 254.378 -0.698 10 0 CBAEMO COCCCNC(=O)C[N@@H+](CCOC)CCC(N)=S ZINC000071225502 176089112 /nfs/dbraw/zinc/08/91/12/176089112.db2.gz UCDMVEBQGODRPK-UHFFFAOYSA-N 1 1 291.417 -0.236 10 0 CBAEMO CCN(C(=O)c1cc(O)[nH]c(=O)c1)[C@@H]1CC[NH2+]C1 ZINC000071312630 176119316 /nfs/dbraw/zinc/11/93/16/176119316.db2.gz RKAITRONDOMKKX-SECBINFHSA-N 1 1 251.286 -0.096 10 0 CBAEMO O=c1cc(CN2CCC[N@H+](CCO)CC2)occ1O ZINC000071350673 176134298 /nfs/dbraw/zinc/13/42/98/176134298.db2.gz IVYLKUTWZKPJGO-UHFFFAOYSA-N 1 1 268.313 -0.155 10 0 CBAEMO C[N@H+](CCN[C@H]1CS(=O)(=O)C[C@@H]1O)C1CCCC1 ZINC000071377236 176141809 /nfs/dbraw/zinc/14/18/09/176141809.db2.gz MUUYADQHCUSWCL-RYUDHWBXSA-N 1 1 276.402 -0.392 10 0 CBAEMO C[N@@H+](CCN[C@H]1CS(=O)(=O)C[C@@H]1O)C1CCCC1 ZINC000071377236 176141810 /nfs/dbraw/zinc/14/18/10/176141810.db2.gz MUUYADQHCUSWCL-RYUDHWBXSA-N 1 1 276.402 -0.392 10 0 CBAEMO CC[NH+](CC)[C@@H](CN)CN1CCN(C(C)=O)CC1 ZINC000076663360 177050061 /nfs/dbraw/zinc/05/00/61/177050061.db2.gz VIWIOIRYABFMCZ-ZDUSSCGKSA-N 1 1 256.394 -0.180 10 0 CBAEMO C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088370251 544432993 /nfs/dbraw/zinc/43/29/93/544432993.db2.gz LBWSXFFZRFLCKR-UWVGGRQHSA-N 1 1 255.318 -0.898 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCN(Cc2cccnc2)CC1 ZINC000088370941 544433356 /nfs/dbraw/zinc/43/33/56/544433356.db2.gz ZKKLAEAFWZURFB-AWEZNQCLSA-N 1 1 290.367 -0.286 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1COCCN1 ZINC000251456035 544514885 /nfs/dbraw/zinc/51/48/85/544514885.db2.gz UGCLLHILYUHOQK-GRYCIOLGSA-N 1 1 253.346 -0.282 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1n[nH]c2ccccc21 ZINC000262369835 544522135 /nfs/dbraw/zinc/52/21/35/544522135.db2.gz VZXDJQBUPMSTOI-LDYMZIIASA-N 1 1 260.297 -0.127 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000037802032 419411471 /nfs/dbraw/zinc/41/14/71/419411471.db2.gz OMIFQQPRKOXUTN-NSHDSACASA-N 1 1 296.396 -0.405 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000037797760 419414600 /nfs/dbraw/zinc/41/46/00/419414600.db2.gz IPKMUVOSFDTLDV-GFCCVEGCSA-N 1 1 292.339 -0.757 10 0 CBAEMO O=C([C@H]1CNC(=O)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000110357863 419486566 /nfs/dbraw/zinc/48/65/66/419486566.db2.gz BVBUBIJNSGNCSV-VXGBXAGGSA-N 1 1 281.356 -0.554 10 0 CBAEMO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000044726689 419429819 /nfs/dbraw/zinc/42/98/19/419429819.db2.gz IYQLPXNSKBSZSV-YUSALJHKSA-N 1 1 253.346 -0.284 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000660808743 419438786 /nfs/dbraw/zinc/43/87/86/419438786.db2.gz QPJPFPSZBHPPFV-IEECTRCBSA-N 1 1 289.397 -0.109 10 0 CBAEMO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000394020934 544578507 /nfs/dbraw/zinc/57/85/07/544578507.db2.gz IZRBXPDULHTIKJ-KGLIPLIRSA-N 1 1 271.405 -0.295 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000392909650 544578646 /nfs/dbraw/zinc/57/86/46/544578646.db2.gz ZJVMRTMVGHMEJV-SDDRHHMPSA-N 1 1 255.362 -0.300 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000392909650 544578649 /nfs/dbraw/zinc/57/86/49/544578649.db2.gz ZJVMRTMVGHMEJV-SDDRHHMPSA-N 1 1 255.362 -0.300 10 0 CBAEMO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000389628729 544576632 /nfs/dbraw/zinc/57/66/32/544576632.db2.gz DRJXKFKYUNYRHH-WOPDTQHZSA-N 1 1 255.362 -0.036 10 0 CBAEMO O=C(NC[C@H]1CN2CCN1CCC2)[C@H]1CC[NH2+]C1 ZINC000394379567 544578159 /nfs/dbraw/zinc/57/81/59/544578159.db2.gz DEWPZSIHQIXLQH-RYUDHWBXSA-N 1 1 252.362 -0.898 10 0 CBAEMO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394388619 544581002 /nfs/dbraw/zinc/58/10/02/544581002.db2.gz NCNOTEVDJZJDAN-CHWSQXEVSA-N 1 1 268.405 -0.134 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394381987 544581235 /nfs/dbraw/zinc/58/12/35/544581235.db2.gz OMSRCKBGUVWGIK-NEPJUHHUSA-N 1 1 254.378 -0.380 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000247330534 419592181 /nfs/dbraw/zinc/59/21/81/419592181.db2.gz JEMYJJFGKICPMR-RYUDHWBXSA-N 1 1 298.387 -0.421 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000247330534 419592187 /nfs/dbraw/zinc/59/21/87/419592187.db2.gz JEMYJJFGKICPMR-RYUDHWBXSA-N 1 1 298.387 -0.421 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000311050148 419619845 /nfs/dbraw/zinc/61/98/45/419619845.db2.gz WYBVIEQCRQDNJP-WZRBSPASSA-N 1 1 256.346 -0.150 10 0 CBAEMO COCCC1(C(=O)N2CCNCC2)CC[NH2+]CC1 ZINC000647609523 419623371 /nfs/dbraw/zinc/62/33/71/419623371.db2.gz HZZWEUSOCJXNRX-UHFFFAOYSA-N 1 1 255.362 -0.176 10 0 CBAEMO CCN(CCC(F)(F)F)C(=O)[C@H]([NH3+])CC(N)=O ZINC000648049370 419717647 /nfs/dbraw/zinc/71/76/47/419717647.db2.gz OYKDPFVKVPSSIG-ZCFIWIBFSA-N 1 1 255.240 -0.010 10 0 CBAEMO C[C@]1(C(F)F)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000663007404 419810333 /nfs/dbraw/zinc/81/03/33/419810333.db2.gz HEBXZABYOVFYOM-QUBYGPBYSA-N 1 1 265.260 -0.928 10 0 CBAEMO COC[C@@]1(C(=O)N[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649304898 419869650 /nfs/dbraw/zinc/86/96/50/419869650.db2.gz LYHWBWULRYNRFE-WCQYABFASA-N 1 1 255.362 -0.035 10 0 CBAEMO CC(C)N1CC[C@@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000367003120 420098017 /nfs/dbraw/zinc/09/80/17/420098017.db2.gz MEHQYINEBVIOKB-ZWNOBZJWSA-N 1 1 269.345 -0.692 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCN(C)CC1 ZINC000384339811 420199782 /nfs/dbraw/zinc/19/97/82/420199782.db2.gz CECACJDXKHFSOY-STQMWFEESA-N 1 1 268.405 -0.262 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398871608 420217387 /nfs/dbraw/zinc/21/73/87/420217387.db2.gz VCENPYBQHOGRNG-UTINFBMNSA-N 1 1 255.318 -0.337 10 0 CBAEMO CC(C)O[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000404661098 420226505 /nfs/dbraw/zinc/22/65/05/420226505.db2.gz WNWFEICVDDBOSZ-ZJUUUORDSA-N 1 1 257.334 -0.395 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495230 420257389 /nfs/dbraw/zinc/25/73/89/420257389.db2.gz LTXXSKRPZHRGOX-GHMZBOCLSA-N 1 1 269.345 -0.251 10 0 CBAEMO COC[C@]1(CNc2ccncc2C(N)=O)CCC[NH2+]1 ZINC000398975498 420217674 /nfs/dbraw/zinc/21/76/74/420217674.db2.gz YOWFDZDEFOBOQD-CYBMUJFWSA-N 1 1 264.329 -0.217 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738849 420217689 /nfs/dbraw/zinc/21/76/89/420217689.db2.gz FLCHOVQVLAKYJA-LPEHRKFASA-N 1 1 255.318 -0.465 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398864035 420218333 /nfs/dbraw/zinc/21/83/33/420218333.db2.gz SARIRYKQBFTKIW-GUBZILKMSA-N 1 1 255.318 -0.336 10 0 CBAEMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399104623 420219462 /nfs/dbraw/zinc/21/94/62/420219462.db2.gz VNEFYNOFWCJOOS-DCAQKATOSA-N 1 1 269.345 -0.075 10 0 CBAEMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cnn(C)c1C ZINC000657607600 420360516 /nfs/dbraw/zinc/36/05/16/420360516.db2.gz ZPWZXKUJLXSQRZ-QWRGUYRKSA-N 1 1 273.358 -0.370 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000674465652 544908526 /nfs/dbraw/zinc/90/85/26/544908526.db2.gz RIIKWESBYGQAKS-OWCLPIDISA-N 1 1 294.395 -0.093 10 0 CBAEMO CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465652 544908529 /nfs/dbraw/zinc/90/85/29/544908529.db2.gz RIIKWESBYGQAKS-OWCLPIDISA-N 1 1 294.395 -0.093 10 0 CBAEMO CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465652 544908533 /nfs/dbraw/zinc/90/85/33/544908533.db2.gz RIIKWESBYGQAKS-OWCLPIDISA-N 1 1 294.395 -0.093 10 0 CBAEMO Cn1nnc(Br)c1C1=C[C@@H](N)C[NH2+]C1 ZINC000675078136 544924858 /nfs/dbraw/zinc/92/48/58/544924858.db2.gz MVIAHHSQEYGMKP-ZCFIWIBFSA-N 1 1 258.123 -0.109 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1nnnn1C ZINC000678564984 545019669 /nfs/dbraw/zinc/01/96/69/545019669.db2.gz VLCVFNGZHSDZDE-MNOVXSKESA-N 1 1 293.375 -0.369 10 0 CBAEMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000683658790 545066468 /nfs/dbraw/zinc/06/64/68/545066468.db2.gz HNMIWVVJEIIGIA-IHRRRGAJSA-N 1 1 290.404 -0.339 10 0 CBAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000194748143 269575530 /nfs/dbraw/zinc/57/55/30/269575530.db2.gz MLXKHHIMEBLKCI-GRYCIOLGSA-N 1 1 283.372 -0.310 10 0 CBAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000194748143 269575533 /nfs/dbraw/zinc/57/55/33/269575533.db2.gz MLXKHHIMEBLKCI-GRYCIOLGSA-N 1 1 283.372 -0.310 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000186124963 274267588 /nfs/dbraw/zinc/26/75/88/274267588.db2.gz FHAVLQAXSIYIKH-VHSXEESVSA-N 1 1 296.327 -0.473 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000186124963 274267594 /nfs/dbraw/zinc/26/75/94/274267594.db2.gz FHAVLQAXSIYIKH-VHSXEESVSA-N 1 1 296.327 -0.473 10 0 CBAEMO CO[C@@H](C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259879 545083405 /nfs/dbraw/zinc/08/34/05/545083405.db2.gz KJLXOLQZGFBRHY-XVKPBYJWSA-N 1 1 253.306 -0.672 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000725260504 545083418 /nfs/dbraw/zinc/08/34/18/545083418.db2.gz VBGNGZVZXRDGMN-IONNQARKSA-N 1 1 253.281 -0.334 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CSCCN1 ZINC000725257958 545083452 /nfs/dbraw/zinc/08/34/52/545083452.db2.gz AXIDADHBVDIHBE-SECBINFHSA-N 1 1 267.358 -0.329 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1C[C@H](F)CN1 ZINC000725260503 545083516 /nfs/dbraw/zinc/08/35/16/545083516.db2.gz VBGNGZVZXRDGMN-CBAPKCEASA-N 1 1 253.281 -0.334 10 0 CBAEMO CC(=O)N1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261929597 278002331 /nfs/dbraw/zinc/00/23/31/278002331.db2.gz LNXYCRUBWGHRHA-PWSUYJOCSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000195179134 278144846 /nfs/dbraw/zinc/14/48/46/278144846.db2.gz AYWSEXXFCQGLFY-SNVBAGLBSA-N 1 1 270.333 -0.438 10 0 CBAEMO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000373173018 278364996 /nfs/dbraw/zinc/36/49/96/278364996.db2.gz KXPJNRDWPKVBMZ-RKDXNWHRSA-N 1 1 273.333 -0.962 10 0 CBAEMO CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000373173018 278364997 /nfs/dbraw/zinc/36/49/97/278364997.db2.gz KXPJNRDWPKVBMZ-RKDXNWHRSA-N 1 1 273.333 -0.962 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000261995619 280059435 /nfs/dbraw/zinc/05/94/35/280059435.db2.gz UASXHYYIPYTERY-QRTLGDNMSA-N 1 1 264.329 -0.240 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261572242 280144757 /nfs/dbraw/zinc/14/47/57/280144757.db2.gz LPBYSSIIXALXHA-VXNVDRBHSA-N 1 1 268.235 -0.500 10 0 CBAEMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248618219 290153328 /nfs/dbraw/zinc/15/33/28/290153328.db2.gz JVDUPSAQDPUAKG-RWMBFGLXSA-N 1 1 286.372 -0.559 10 0 CBAEMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248618219 290153329 /nfs/dbraw/zinc/15/33/29/290153329.db2.gz JVDUPSAQDPUAKG-RWMBFGLXSA-N 1 1 286.372 -0.559 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000262287550 293117370 /nfs/dbraw/zinc/11/73/70/293117370.db2.gz YBJRVNVEKUOUHD-AXFHLTTASA-N 1 1 290.385 -0.472 10 0 CBAEMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247510352 295105267 /nfs/dbraw/zinc/10/52/67/295105267.db2.gz VURGXGPLAKQQJZ-MNOVXSKESA-N 1 1 269.345 -0.691 10 0 CBAEMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247510352 295105272 /nfs/dbraw/zinc/10/52/72/295105272.db2.gz VURGXGPLAKQQJZ-MNOVXSKESA-N 1 1 269.345 -0.691 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCNS(C)(=O)=O ZINC000113267852 300315338 /nfs/dbraw/zinc/31/53/38/300315338.db2.gz JXBWNVMYSHFBOY-WDEREUQCSA-N 1 1 261.391 -0.296 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNC(N)=O ZINC000247008922 300317759 /nfs/dbraw/zinc/31/77/59/300317759.db2.gz FSQOAISEQMTFOC-UWVGGRQHSA-N 1 1 254.334 -0.260 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCNS(C)(=O)=O ZINC000247145931 300319568 /nfs/dbraw/zinc/31/95/68/300319568.db2.gz JXBWNVMYSHFBOY-QWRGUYRKSA-N 1 1 261.391 -0.296 10 0 CBAEMO C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000563231540 327987577 /nfs/dbraw/zinc/98/75/77/327987577.db2.gz KNDFNYPKUSLGBV-SDDRHHMPSA-N 1 1 275.418 -0.002 10 0 CBAEMO NC(=O)C[NH+]1CCC(C(=O)NCC2(CO)CCCC2)CC1 ZINC000534639407 328335096 /nfs/dbraw/zinc/33/50/96/328335096.db2.gz AYORSXVQEPZIQS-UHFFFAOYSA-N 1 1 297.399 -0.147 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCCO2)C[C@@H]1C ZINC000172220335 335097954 /nfs/dbraw/zinc/09/79/54/335097954.db2.gz UFJPGMTWHCFJLL-STQMWFEESA-N 1 1 286.372 -0.029 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCCO2)C[C@@H]1C ZINC000172220335 335097955 /nfs/dbraw/zinc/09/79/55/335097955.db2.gz UFJPGMTWHCFJLL-STQMWFEESA-N 1 1 286.372 -0.029 10 0 CBAEMO C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862575 336132906 /nfs/dbraw/zinc/13/29/06/336132906.db2.gz DQTNHDWTEURSIK-NWDGAFQWSA-N 1 1 255.362 -0.394 10 0 CBAEMO CCOC(=O)[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000049373090 521206771 /nfs/dbraw/zinc/20/67/71/521206771.db2.gz ARMBKZLXBKGQRK-QWRGUYRKSA-N 1 1 260.334 -0.779 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085689 523901598 /nfs/dbraw/zinc/90/15/98/523901598.db2.gz XGCZEKOWNVJENR-CHWSQXEVSA-N 1 1 268.405 -0.133 10 0 CBAEMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050673597 523968702 /nfs/dbraw/zinc/96/87/02/523968702.db2.gz FYCLSIRFAVXDGO-MRVPVSSYSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050673597 523968706 /nfs/dbraw/zinc/96/87/06/523968706.db2.gz FYCLSIRFAVXDGO-MRVPVSSYSA-N 1 1 256.331 -0.354 10 0 CBAEMO CO[C@H]1C[NH2+][C@H](C(=O)NCCN2CCCCC2)C1 ZINC000049575481 524008735 /nfs/dbraw/zinc/00/87/35/524008735.db2.gz JDSJHEIAHMGIEB-NEPJUHHUSA-N 1 1 255.362 -0.035 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568000 524078246 /nfs/dbraw/zinc/07/82/46/524078246.db2.gz FPFXRNPJEXKGFW-IVZWLZJFSA-N 1 1 254.334 -0.343 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568000 524078247 /nfs/dbraw/zinc/07/82/47/524078247.db2.gz FPFXRNPJEXKGFW-IVZWLZJFSA-N 1 1 254.334 -0.343 10 0 CBAEMO C[C@@H](Cc1ccsc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000049185114 524937079 /nfs/dbraw/zinc/93/70/79/524937079.db2.gz UUKTVCQUPNYDCU-CBAPKCEASA-N 1 1 255.343 -0.002 10 0 CBAEMO Cn1ccc(NS(=O)(=O)CCN2CC[NH2+]CC2)n1 ZINC000049644030 527371603 /nfs/dbraw/zinc/37/16/03/527371603.db2.gz UUFCVSTUJZYAOC-UHFFFAOYSA-N 1 1 273.362 -0.933 10 0 CBAEMO CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000125057156 582120618 /nfs/dbraw/zinc/12/06/18/582120618.db2.gz STQRRSJXRLXCTP-NSHDSACASA-N 1 1 291.417 -0.781 10 0 CBAEMO COC(=O)CC[C@@H]([NH3+])c1nc(N2CC[C@H](CO)C2)no1 ZINC000757120759 582305023 /nfs/dbraw/zinc/30/50/23/582305023.db2.gz IDYWQQSZNXADAN-DTWKUNHWSA-N 1 1 284.316 -0.159 10 0 CBAEMO NC(=O)CC[C@@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757197870 582305249 /nfs/dbraw/zinc/30/52/49/582305249.db2.gz BKPCFAQLEQKAGY-SSDOTTSWSA-N 1 1 255.278 -0.829 10 0 CBAEMO COC(=O)CCc1nc([C@]2(N)CC[N@H+](C)C2)no1 ZINC000757183289 582305257 /nfs/dbraw/zinc/30/52/57/582305257.db2.gz NJIYOAAYMRIOKU-NSHDSACASA-N 1 1 254.290 -0.335 10 0 CBAEMO COC(=O)CCc1nc([C@]2(N)CC[N@@H+](C)C2)no1 ZINC000757183289 582305258 /nfs/dbraw/zinc/30/52/58/582305258.db2.gz NJIYOAAYMRIOKU-NSHDSACASA-N 1 1 254.290 -0.335 10 0 CBAEMO COC(=O)CCc1nc([C@]2([NH3+])CCN(C)C2)no1 ZINC000757183289 582305259 /nfs/dbraw/zinc/30/52/59/582305259.db2.gz NJIYOAAYMRIOKU-NSHDSACASA-N 1 1 254.290 -0.335 10 0 CBAEMO O[C@]1(c2cn[nH]n2)CCC[N@@H+](CCn2cccn2)C1 ZINC000794042350 582400687 /nfs/dbraw/zinc/40/06/87/582400687.db2.gz OLULHBSBPDKIMO-GFCCVEGCSA-N 1 1 262.317 -0.015 10 0 CBAEMO O[C@]1(c2c[nH]nn2)CCC[N@H+](CCn2cccn2)C1 ZINC000794042350 582400688 /nfs/dbraw/zinc/40/06/88/582400688.db2.gz OLULHBSBPDKIMO-GFCCVEGCSA-N 1 1 262.317 -0.015 10 0 CBAEMO O[C@]1(c2c[nH]nn2)CCC[N@@H+](CCn2cccn2)C1 ZINC000794042350 582400689 /nfs/dbraw/zinc/40/06/89/582400689.db2.gz OLULHBSBPDKIMO-GFCCVEGCSA-N 1 1 262.317 -0.015 10 0 CBAEMO CNC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000897683059 584722908 /nfs/dbraw/zinc/72/29/08/584722908.db2.gz HEVQIQMSSBJMGV-JTQLQIEISA-N 1 1 268.361 -0.001 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900601831 584815143 /nfs/dbraw/zinc/81/51/43/584815143.db2.gz PBONLXQODHASSP-MNOVXSKESA-N 1 1 274.361 -0.967 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000310657909 656143779 /nfs/dbraw/zinc/14/37/79/656143779.db2.gz FCPULWYHIJYTGD-ZJUUUORDSA-N 1 1 278.374 -0.381 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@H]1N1CCOCC1 ZINC000929851984 659182754 /nfs/dbraw/zinc/18/27/54/659182754.db2.gz FJHPUKKHRMIWPO-DGAVXFQQSA-N 1 1 272.389 -0.229 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000037623011 656002041 /nfs/dbraw/zinc/00/20/41/656002041.db2.gz LOMGFCVKRGJYPH-SNVBAGLBSA-N 1 1 293.323 -0.681 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000037622732 656002272 /nfs/dbraw/zinc/00/22/72/656002272.db2.gz BQFLCXMMYNHKCG-MRVPVSSYSA-N 1 1 253.327 -0.165 10 0 CBAEMO COc1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000037622935 656002443 /nfs/dbraw/zinc/00/24/43/656002443.db2.gz SOWKOHADYWQWCB-JTQLQIEISA-N 1 1 251.286 -0.486 10 0 CBAEMO CCN1CCC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000040862321 656006106 /nfs/dbraw/zinc/00/61/06/656006106.db2.gz FXWSNAWDMLMARS-NSHDSACASA-N 1 1 276.406 -0.790 10 0 CBAEMO Cc1cccc(OCCNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000042897702 656008274 /nfs/dbraw/zinc/00/82/74/656008274.db2.gz NMIHXIYEEDYMRS-LLVKDONJSA-N 1 1 265.313 -0.307 10 0 CBAEMO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371012 656052673 /nfs/dbraw/zinc/05/26/73/656052673.db2.gz ZCOKRGXZWIJFEL-MNOVXSKESA-N 1 1 285.344 -0.288 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094466582 656060855 /nfs/dbraw/zinc/06/08/55/656060855.db2.gz XNBWSNDVCUBEID-NXEZZACHSA-N 1 1 297.384 -0.084 10 0 CBAEMO CN1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000172502240 656084506 /nfs/dbraw/zinc/08/45/06/656084506.db2.gz ZIVOBWCWSDIZAQ-SECBINFHSA-N 1 1 266.301 -0.856 10 0 CBAEMO CCS(=O)(=O)CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173925911 656085627 /nfs/dbraw/zinc/08/56/27/656085627.db2.gz JVZNAMKYKOOZPY-GFCCVEGCSA-N 1 1 276.402 -0.172 10 0 CBAEMO CCS(=O)(=O)CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173925911 656085629 /nfs/dbraw/zinc/08/56/29/656085629.db2.gz JVZNAMKYKOOZPY-GFCCVEGCSA-N 1 1 276.402 -0.172 10 0 CBAEMO COCc1nn(CN2CC[N@H+]3CCC[C@@H]3C2)c(=O)o1 ZINC000177166883 656087721 /nfs/dbraw/zinc/08/77/21/656087721.db2.gz VHFZOINGLYNJSE-SNVBAGLBSA-N 1 1 268.317 -0.280 10 0 CBAEMO C[C@H](O)C1CC[NH+](CN2CC(=O)N(C)C2=O)CC1 ZINC000182282352 656092374 /nfs/dbraw/zinc/09/23/74/656092374.db2.gz UUYPIFROMJDDFP-VIFPVBQESA-N 1 1 255.318 -0.069 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C ZINC000227752425 656108814 /nfs/dbraw/zinc/10/88/14/656108814.db2.gz XOKYYWWQRACLQN-JGVFFNPUSA-N 1 1 257.290 -0.688 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C ZINC000227748317 656108864 /nfs/dbraw/zinc/10/88/64/656108864.db2.gz BIDQZVKJIYLKEY-WDEREUQCSA-N 1 1 270.329 -0.414 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000227749933 656108944 /nfs/dbraw/zinc/10/89/44/656108944.db2.gz QBHPAERQKSRFEB-WCBMZHEXSA-N 1 1 283.328 -0.285 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228698292 656110351 /nfs/dbraw/zinc/11/03/51/656110351.db2.gz WJABKAYGCSGQIT-ZJUUUORDSA-N 1 1 285.344 -0.037 10 0 CBAEMO CC[C@H]1CN(C(=O)C[NH2+]CCOC)CCN1C[C@H](C)O ZINC000246222242 656118752 /nfs/dbraw/zinc/11/87/52/656118752.db2.gz GYGLKMFMAZRNEI-STQMWFEESA-N 1 1 287.404 -0.474 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC000247057677 656118997 /nfs/dbraw/zinc/11/89/97/656118997.db2.gz FQTXSNOXYNFAFN-HZSPNIEDSA-N 1 1 299.415 -0.379 10 0 CBAEMO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@H]1N1CCOCC1 ZINC000246496636 656119403 /nfs/dbraw/zinc/11/94/03/656119403.db2.gz PRXMSQUSSQKVCX-IJLUTSLNSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@H]1N1CCOCC1 ZINC000246496636 656119405 /nfs/dbraw/zinc/11/94/05/656119405.db2.gz PRXMSQUSSQKVCX-IJLUTSLNSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1CN([C@@H]2CCOC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246496636 656119407 /nfs/dbraw/zinc/11/94/07/656119407.db2.gz PRXMSQUSSQKVCX-IJLUTSLNSA-N 1 1 254.330 -0.046 10 0 CBAEMO CCN1C(=O)CN(CN2CC[N@@H+](CCOC)[C@@H](C)C2)C1=O ZINC000247179422 656119659 /nfs/dbraw/zinc/11/96/59/656119659.db2.gz RZTWUTXJOLDURC-LBPRGKRZSA-N 1 1 298.387 -0.120 10 0 CBAEMO Cc1noc([C@@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1 ZINC000261936134 656128059 /nfs/dbraw/zinc/12/80/59/656128059.db2.gz MGZGWOAIQNJPEL-BHNWBGBOSA-N 1 1 254.290 -0.068 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1cnccn1 ZINC000262292014 656130699 /nfs/dbraw/zinc/13/06/99/656130699.db2.gz OUNXCWPGHOILJC-KOLCDFICSA-N 1 1 250.302 -0.188 10 0 CBAEMO COCCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1C ZINC000262285555 656131049 /nfs/dbraw/zinc/13/10/49/656131049.db2.gz OGNOELFQLBJJLP-XQQFMLRXSA-N 1 1 285.388 -0.458 10 0 CBAEMO COC(=O)/C(C)=C/C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310938001 656144783 /nfs/dbraw/zinc/14/47/83/656144783.db2.gz VJCVQSHSGHXGHJ-KFRNIWOLSA-N 1 1 256.302 -0.582 10 0 CBAEMO CCOC(=O)/C=C/C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310946668 656144837 /nfs/dbraw/zinc/14/48/37/656144837.db2.gz XUHICDKSRBKEPL-OGOUPESXSA-N 1 1 256.302 -0.582 10 0 CBAEMO O=C1C[NH2+]CCN1Cc1nc(Cc2ccncc2)no1 ZINC000705732539 656186770 /nfs/dbraw/zinc/18/67/70/656186770.db2.gz PWUISVSCNIGKNZ-UHFFFAOYSA-N 1 1 273.296 -0.013 10 0 CBAEMO C[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000709632198 656195707 /nfs/dbraw/zinc/19/57/07/656195707.db2.gz UDPOZFNOWKNVSR-HZGVNTEJSA-N 1 1 267.251 -0.010 10 0 CBAEMO C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000712726729 656211117 /nfs/dbraw/zinc/21/11/17/656211117.db2.gz MVQMILRNSATJDF-IMTBSYHQSA-N 1 1 283.250 -0.631 10 0 CBAEMO C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000712726732 656211553 /nfs/dbraw/zinc/21/15/53/656211553.db2.gz MVQMILRNSATJDF-RCOVLWMOSA-N 1 1 283.250 -0.631 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000713918118 656213636 /nfs/dbraw/zinc/21/36/36/656213636.db2.gz RKWLMHOFYZYHGD-ZJUUUORDSA-N 1 1 292.401 -0.355 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900709589 656310450 /nfs/dbraw/zinc/31/04/50/656310450.db2.gz NBYULSXUESTFQK-WOPDTQHZSA-N 1 1 281.356 -0.461 10 0 CBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCC(N)=O)[C@@H]2C1 ZINC000908095666 656643786 /nfs/dbraw/zinc/64/37/86/656643786.db2.gz DMFHNRLUIJIQOZ-ZJUUUORDSA-N 1 1 255.318 -0.817 10 0 CBAEMO C/C=C/[C@H](O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000908365551 656713303 /nfs/dbraw/zinc/71/33/03/656713303.db2.gz GVIZNQLKJZERCJ-INHAFSAOSA-N 1 1 256.346 -0.163 10 0 CBAEMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)nn1C ZINC000913023876 657367834 /nfs/dbraw/zinc/36/78/34/657367834.db2.gz MIHJMSGVYSGVJW-WPRPVWTQSA-N 1 1 296.327 -0.136 10 0 CBAEMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)nn1C ZINC000913023876 657367843 /nfs/dbraw/zinc/36/78/43/657367843.db2.gz MIHJMSGVYSGVJW-WPRPVWTQSA-N 1 1 296.327 -0.136 10 0 CBAEMO CC1(C)CC(=O)NCCN1C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913060929 657374826 /nfs/dbraw/zinc/37/48/26/657374826.db2.gz QJTQXCXNVUPIFY-NEPJUHHUSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186132 657412057 /nfs/dbraw/zinc/41/20/57/657412057.db2.gz ZYRNPLKZEYPIJO-GMXVVIOVSA-N 1 1 272.345 -0.731 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000929811875 659175787 /nfs/dbraw/zinc/17/57/87/659175787.db2.gz DRQLQZRCKDJHCN-ZDEQEGDKSA-N 1 1 258.362 -0.619 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000930528959 659303639 /nfs/dbraw/zinc/30/36/39/659303639.db2.gz SBVWXFNKZNREAI-SDDRHHMPSA-N 1 1 291.355 -0.043 10 0 CBAEMO NC(=O)[C@@H]1C[N@@H+](C[C@@H]2COCCO2)C[C@H]1C(F)(F)F ZINC000930747831 659335234 /nfs/dbraw/zinc/33/52/34/659335234.db2.gz TZDRKJTZYVGILH-IWSPIJDZSA-N 1 1 282.262 -0.003 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000930773449 659340020 /nfs/dbraw/zinc/34/00/20/659340020.db2.gz DXYJLIPZHVVSIA-LOWVWBTDSA-N 1 1 274.361 -0.967 10 0 CBAEMO C[C@H](O)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000125043860 187167073 /nfs/dbraw/zinc/16/70/73/187167073.db2.gz NAVOAZALGDNKQY-VIFPVBQESA-N 1 1 253.306 -0.895 10 0 CBAEMO Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)CC2 ZINC000261946521 282123015 /nfs/dbraw/zinc/12/30/15/282123015.db2.gz NOGXEYQUGXOIGX-UISBYWKRSA-N 1 1 279.344 -0.606 10 0 CBAEMO C[NH2+]CCN(C)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000237281438 529973182 /nfs/dbraw/zinc/97/31/82/529973182.db2.gz RPWCAWMPDMYHTD-UHFFFAOYSA-N 1 1 277.332 -0.533 10 0 CBAEMO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1=O ZINC000103322156 185829493 /nfs/dbraw/zinc/82/94/93/185829493.db2.gz BXQRRBYWLVMGKL-IUCAKERBSA-N 1 1 255.318 -0.410 10 0 CBAEMO CC(=O)NCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105824553 186073563 /nfs/dbraw/zinc/07/35/63/186073563.db2.gz JBJTZUKOVVBAEO-NWDGAFQWSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105824553 186073564 /nfs/dbraw/zinc/07/35/64/186073564.db2.gz JBJTZUKOVVBAEO-NWDGAFQWSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105824553 186073565 /nfs/dbraw/zinc/07/35/65/186073565.db2.gz JBJTZUKOVVBAEO-NWDGAFQWSA-N 1 1 257.378 -0.101 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1C ZINC000105824531 186074754 /nfs/dbraw/zinc/07/47/54/186074754.db2.gz GLUQSRGWSQJORA-NWDGAFQWSA-N 1 1 269.389 -0.006 10 0 CBAEMO CC[C@@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1CCOC ZINC000105836329 186075703 /nfs/dbraw/zinc/07/57/03/186075703.db2.gz XEZWQUJAKHIVKP-SNVBAGLBSA-N 1 1 295.391 -0.421 10 0 CBAEMO COCC[N@H+]1CCN(CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000105833622 186077157 /nfs/dbraw/zinc/07/71/57/186077157.db2.gz DUEKUAVYWXBGLM-LBPRGKRZSA-N 1 1 283.372 -0.212 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581900 351510634 /nfs/dbraw/zinc/51/06/34/351510634.db2.gz LFHCHIFBWQKUOK-ZJUUUORDSA-N 1 1 260.334 -0.652 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581900 351510638 /nfs/dbraw/zinc/51/06/38/351510638.db2.gz LFHCHIFBWQKUOK-ZJUUUORDSA-N 1 1 260.334 -0.652 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCNCC2)C1 ZINC000049230845 351489077 /nfs/dbraw/zinc/48/90/77/351489077.db2.gz OLSPBTVUNVALFF-NSHDSACASA-N 1 1 268.361 -0.981 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCNCC2)C1 ZINC000049230845 351489080 /nfs/dbraw/zinc/48/90/80/351489080.db2.gz OLSPBTVUNVALFF-NSHDSACASA-N 1 1 268.361 -0.981 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@H]1CCCO)N1CCNC1=O ZINC000052762060 351521420 /nfs/dbraw/zinc/52/14/20/351521420.db2.gz ZISBRQDDQDYSCP-JTQLQIEISA-N 1 1 255.318 -0.225 10 0 CBAEMO C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000054001986 351531409 /nfs/dbraw/zinc/53/14/09/351531409.db2.gz LKFLRTGCHFIGGN-YUMQZZPRSA-N 1 1 295.407 -0.093 10 0 CBAEMO CC[NH+]1CCN(Cc2cc(C(=O)NC[C@H](C)O)no2)CC1 ZINC000067713115 351610704 /nfs/dbraw/zinc/61/07/04/351610704.db2.gz NUKAUDAZOLNIEZ-NSHDSACASA-N 1 1 296.371 -0.077 10 0 CBAEMO [NH3+][C@@H]1NC(=O)N([C@@H]2CS[C@H](CO)O2)C[C@H]1F ZINC000071606085 351644025 /nfs/dbraw/zinc/64/40/25/351644025.db2.gz KEQFPERVHXNOGM-XZBKPIIZSA-N 1 1 251.283 -0.958 10 0 CBAEMO NC(=O)[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000084962291 351718152 /nfs/dbraw/zinc/71/81/52/351718152.db2.gz CWFOJKMURJGWGT-UONOGXRCSA-N 1 1 294.351 -0.250 10 0 CBAEMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000084962291 351718158 /nfs/dbraw/zinc/71/81/58/351718158.db2.gz CWFOJKMURJGWGT-UONOGXRCSA-N 1 1 294.351 -0.250 10 0 CBAEMO COC(=O)C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088357827 351724040 /nfs/dbraw/zinc/72/40/40/351724040.db2.gz SLOAYEKHJWLABH-JTQLQIEISA-N 1 1 256.302 -0.614 10 0 CBAEMO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1COCC[NH2+]1 ZINC000088371644 351725153 /nfs/dbraw/zinc/72/51/53/351725153.db2.gz SAOUMTLZFCXKAF-WDEREUQCSA-N 1 1 278.308 -0.069 10 0 CBAEMO CC[N@@H+](CCC(=O)OC)C[C@H](O)CN1CCCC1=O ZINC000111685741 351804483 /nfs/dbraw/zinc/80/44/83/351804483.db2.gz QVWDRFDOQPSJRE-NSHDSACASA-N 1 1 272.345 -0.145 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@@H]1C ZINC000105823995 351792184 /nfs/dbraw/zinc/79/21/84/351792184.db2.gz FLZIOVATTROXIH-VHSXEESVSA-N 1 1 299.400 -0.137 10 0 CBAEMO C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000094446978 351763876 /nfs/dbraw/zinc/76/38/76/351763876.db2.gz ZDWUAZQWHPUMOE-VXGBXAGGSA-N 1 1 292.387 -0.064 10 0 CBAEMO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000094460821 351764703 /nfs/dbraw/zinc/76/47/03/351764703.db2.gz SNMKPBAQIUIMSS-ZDUSSCGKSA-N 1 1 266.389 -0.412 10 0 CBAEMO O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000094460821 351764706 /nfs/dbraw/zinc/76/47/06/351764706.db2.gz SNMKPBAQIUIMSS-ZDUSSCGKSA-N 1 1 266.389 -0.412 10 0 CBAEMO Cc1nccnc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000095069527 351766830 /nfs/dbraw/zinc/76/68/30/351766830.db2.gz DNEPUAJBWPOMBO-MRVPVSSYSA-N 1 1 256.331 -0.233 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116309998 351821659 /nfs/dbraw/zinc/82/16/59/351821659.db2.gz VJXLQPHTNMICBJ-LLVKDONJSA-N 1 1 294.355 -0.111 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000113271827 351812707 /nfs/dbraw/zinc/81/27/07/351812707.db2.gz MSNRWNHOSVQXMS-NWDGAFQWSA-N 1 1 280.372 -0.887 10 0 CBAEMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000113271812 351812975 /nfs/dbraw/zinc/81/29/75/351812975.db2.gz HGXGLUGJUUAYRN-SNVBAGLBSA-N 1 1 269.345 -0.962 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(C)(=O)=O ZINC000113613716 351814741 /nfs/dbraw/zinc/81/47/41/351814741.db2.gz MDTGVLSPWUYNLX-GHMZBOCLSA-N 1 1 289.401 -0.091 10 0 CBAEMO COC(=O)CNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113518277 351815168 /nfs/dbraw/zinc/81/51/68/351815168.db2.gz BGJAMEGZQSXMPI-WDEREUQCSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[C@](C)(O)C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000123295313 351853261 /nfs/dbraw/zinc/85/32/61/351853261.db2.gz AJFWEBPAOSQDTB-AWEZNQCLSA-N 1 1 285.388 -0.184 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000120995423 351845580 /nfs/dbraw/zinc/84/55/80/351845580.db2.gz SBUHYKJTCYJQSW-AWEZNQCLSA-N 1 1 298.431 -0.587 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000120995423 351845583 /nfs/dbraw/zinc/84/55/83/351845583.db2.gz SBUHYKJTCYJQSW-AWEZNQCLSA-N 1 1 298.431 -0.587 10 0 CBAEMO O=C(NC[C@H](O)CN1CCOCC1)c1c([O-])cccc1F ZINC000127317071 351862836 /nfs/dbraw/zinc/86/28/36/351862836.db2.gz GLVIWAAOALQQNI-JTQLQIEISA-N 1 1 298.314 -0.046 10 0 CBAEMO Cc1ncn(C[C@H]([NH3+])C(N)=O)c(=O)c1Br ZINC000127847658 351863881 /nfs/dbraw/zinc/86/38/81/351863881.db2.gz QCPABWNODSUHDV-YFKPBYRVSA-N 1 1 275.106 -0.873 10 0 CBAEMO NC(=O)[C@H]([NH3+])Cn1cc(Br)ccc1=O ZINC000127806185 351864541 /nfs/dbraw/zinc/86/45/41/351864541.db2.gz YDYCQHJIXMSRIP-ZCFIWIBFSA-N 1 1 260.091 -0.577 10 0 CBAEMO O=S(=O)(c1ccccc1)[C@H]1C[NH2+]CCN1CCO ZINC000148237201 351928937 /nfs/dbraw/zinc/92/89/37/351928937.db2.gz ZAGUNVBIQBLOQE-LBPRGKRZSA-N 1 1 270.354 -0.316 10 0 CBAEMO O=S(=O)(c1ccccc1)[C@@H]1C[NH2+]CCN1CCO ZINC000148237391 351929087 /nfs/dbraw/zinc/92/90/87/351929087.db2.gz ZAGUNVBIQBLOQE-GFCCVEGCSA-N 1 1 270.354 -0.316 10 0 CBAEMO NC(=O)c1cc(NC[C@@H]2C[NH+]3CCN2CC3)ccn1 ZINC000132845343 351895248 /nfs/dbraw/zinc/89/52/48/351895248.db2.gz NJJRHFBITSDBSJ-LLVKDONJSA-N 1 1 261.329 -0.408 10 0 CBAEMO OCCOCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000132979216 351896199 /nfs/dbraw/zinc/89/61/99/351896199.db2.gz HUCYWCADLZMQGA-GFCCVEGCSA-N 1 1 255.318 -0.407 10 0 CBAEMO OCCOCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000132979216 351896202 /nfs/dbraw/zinc/89/62/02/351896202.db2.gz HUCYWCADLZMQGA-GFCCVEGCSA-N 1 1 255.318 -0.407 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)CNCC(F)(F)F)C1 ZINC000134692982 351907442 /nfs/dbraw/zinc/90/74/42/351907442.db2.gz WEYHIZQONAJHEY-SECBINFHSA-N 1 1 283.294 -0.025 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)CNCC(F)(F)F)C1 ZINC000134692982 351907447 /nfs/dbraw/zinc/90/74/47/351907447.db2.gz WEYHIZQONAJHEY-SECBINFHSA-N 1 1 283.294 -0.025 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000171642009 352014485 /nfs/dbraw/zinc/01/44/85/352014485.db2.gz GWNXVDFWYPAHLD-LBPRGKRZSA-N 1 1 253.346 -0.375 10 0 CBAEMO CC[C@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1CCOC ZINC000171573743 352012255 /nfs/dbraw/zinc/01/22/55/352012255.db2.gz FKZYBKJJLXXHHT-LBPRGKRZSA-N 1 1 293.433 -0.292 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000163842683 351983839 /nfs/dbraw/zinc/98/38/39/351983839.db2.gz JEMYJJFGKICPMR-VXGBXAGGSA-N 1 1 298.387 -0.421 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000163842683 351983840 /nfs/dbraw/zinc/98/38/40/351983840.db2.gz JEMYJJFGKICPMR-VXGBXAGGSA-N 1 1 298.387 -0.421 10 0 CBAEMO O[C@H](CN1CCOCC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171626286 352013393 /nfs/dbraw/zinc/01/33/93/352013393.db2.gz VOGAEJIKFYZFHW-ZIAGYGMSSA-N 1 1 269.389 -0.541 10 0 CBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000177686142 352074469 /nfs/dbraw/zinc/07/44/69/352074469.db2.gz SVURDPUGFNGAGK-LLVKDONJSA-N 1 1 291.355 -0.026 10 0 CBAEMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173947904 352043288 /nfs/dbraw/zinc/04/32/88/352043288.db2.gz FDDHDWGCKZPOFS-ZDUSSCGKSA-N 1 1 283.372 -0.748 10 0 CBAEMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NC1CC1 ZINC000173935182 352043670 /nfs/dbraw/zinc/04/36/70/352043670.db2.gz RSFJQRQWTBICFX-LBPRGKRZSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)NC1CC1 ZINC000173935182 352043671 /nfs/dbraw/zinc/04/36/71/352043671.db2.gz RSFJQRQWTBICFX-LBPRGKRZSA-N 1 1 253.346 -0.329 10 0 CBAEMO Cc1nnc(SCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)[nH]1 ZINC000174923847 352052479 /nfs/dbraw/zinc/05/24/79/352052479.db2.gz JQSNGYCCLITKJO-JTQLQIEISA-N 1 1 299.400 -0.006 10 0 CBAEMO CC(=O)NCCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175618868 352058058 /nfs/dbraw/zinc/05/80/58/352058058.db2.gz WTFVTPHLUPKNRX-YPMHNXCESA-N 1 1 298.387 -0.515 10 0 CBAEMO C[C@@H]1CN(c2nccn(C)c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000176704185 352067765 /nfs/dbraw/zinc/06/77/65/352067765.db2.gz OHNSWCTWHMHDRA-NEPJUHHUSA-N 1 1 278.356 -0.063 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000176853807 352068790 /nfs/dbraw/zinc/06/87/90/352068790.db2.gz UYQYNQROKZQJPY-MNOVXSKESA-N 1 1 292.401 -0.544 10 0 CBAEMO C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171749739 352015713 /nfs/dbraw/zinc/01/57/13/352015713.db2.gz NOCJHLHJEOXWEO-UONOGXRCSA-N 1 1 297.447 -0.032 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000171973394 352019422 /nfs/dbraw/zinc/01/94/22/352019422.db2.gz XHPOQYXDMNOIOM-RYUDHWBXSA-N 1 1 254.334 -0.003 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000172459351 352026492 /nfs/dbraw/zinc/02/64/92/352026492.db2.gz KBWAOCLAHFXFDS-NSHDSACASA-N 1 1 279.406 -0.117 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000172459351 352026493 /nfs/dbraw/zinc/02/64/93/352026493.db2.gz KBWAOCLAHFXFDS-NSHDSACASA-N 1 1 279.406 -0.117 10 0 CBAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CCNC(=O)C1 ZINC000172802745 352031400 /nfs/dbraw/zinc/03/14/00/352031400.db2.gz ZPSFHCQKWDLWLE-LBPRGKRZSA-N 1 1 280.372 -0.885 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCNC1=O ZINC000178628451 352080779 /nfs/dbraw/zinc/08/07/79/352080779.db2.gz RJWSZYACZJFDRZ-SNVBAGLBSA-N 1 1 252.318 -0.682 10 0 CBAEMO O[C@H](CN1CCOCC1)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000178972836 352087019 /nfs/dbraw/zinc/08/70/19/352087019.db2.gz SXJKBINNDSFOGD-LSDHHAIUSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000178972836 352087020 /nfs/dbraw/zinc/08/70/20/352087020.db2.gz SXJKBINNDSFOGD-LSDHHAIUSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000178972836 352087024 /nfs/dbraw/zinc/08/70/24/352087024.db2.gz SXJKBINNDSFOGD-LSDHHAIUSA-N 1 1 283.416 -0.150 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179342433 352089290 /nfs/dbraw/zinc/08/92/90/352089290.db2.gz XPYOOGOFFQIZEU-NSHDSACASA-N 1 1 269.345 -0.602 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000179498065 352091259 /nfs/dbraw/zinc/09/12/59/352091259.db2.gz LJMARBCVCQHIFE-GHMZBOCLSA-N 1 1 279.344 -0.723 10 0 CBAEMO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCO1 ZINC000180248831 352093653 /nfs/dbraw/zinc/09/36/53/352093653.db2.gz YDXBIABEFOIEOB-QWRGUYRKSA-N 1 1 274.361 -0.391 10 0 CBAEMO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCO1 ZINC000180248831 352093656 /nfs/dbraw/zinc/09/36/56/352093656.db2.gz YDXBIABEFOIEOB-QWRGUYRKSA-N 1 1 274.361 -0.391 10 0 CBAEMO NC(=O)NC(=O)OCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000180482772 352094613 /nfs/dbraw/zinc/09/46/13/352094613.db2.gz XAGRSGYQDBBUQS-SNVBAGLBSA-N 1 1 270.333 -0.039 10 0 CBAEMO CN1CCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000180590735 352095425 /nfs/dbraw/zinc/09/54/25/352095425.db2.gz GHROADAHCIOXDQ-CQSZACIVSA-N 1 1 280.416 -0.070 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2noc(C)n2)CC1 ZINC000181841166 352101848 /nfs/dbraw/zinc/10/18/48/352101848.db2.gz NJXSAYSWRJBGJE-LLVKDONJSA-N 1 1 297.359 -0.024 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000182248062 352103456 /nfs/dbraw/zinc/10/34/56/352103456.db2.gz PQHAXNAINBXCBH-NWDGAFQWSA-N 1 1 293.371 -0.333 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC000183685987 352108874 /nfs/dbraw/zinc/10/88/74/352108874.db2.gz GUTNSUQKTOVMKV-VXGBXAGGSA-N 1 1 280.372 -0.124 10 0 CBAEMO O=c1[nH]c(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)nc2ccccc21 ZINC000184744897 352113338 /nfs/dbraw/zinc/11/33/38/352113338.db2.gz DECRBYVJLCCCRN-MNOVXSKESA-N 1 1 289.335 -0.107 10 0 CBAEMO C[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@H](C(N)=O)C1 ZINC000187401233 352138411 /nfs/dbraw/zinc/13/84/11/352138411.db2.gz XYTVWASXSVAHJE-WOPDTQHZSA-N 1 1 283.372 -0.445 10 0 CBAEMO C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)[C@H](C(N)=O)C1 ZINC000187401233 352138415 /nfs/dbraw/zinc/13/84/15/352138415.db2.gz XYTVWASXSVAHJE-WOPDTQHZSA-N 1 1 283.372 -0.445 10 0 CBAEMO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)COC)CC1 ZINC000193372629 352204661 /nfs/dbraw/zinc/20/46/61/352204661.db2.gz SZRNXJMYMYMYNG-CYBMUJFWSA-N 1 1 288.388 -0.045 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000195177637 352222332 /nfs/dbraw/zinc/22/23/32/352222332.db2.gz ZRAUHMACJAOHOO-RYUDHWBXSA-N 1 1 294.417 -0.213 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195247598 352223726 /nfs/dbraw/zinc/22/37/26/352223726.db2.gz VLXYSJKMOSSUOV-JTQLQIEISA-N 1 1 271.386 -0.098 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195247598 352223731 /nfs/dbraw/zinc/22/37/31/352223731.db2.gz VLXYSJKMOSSUOV-JTQLQIEISA-N 1 1 271.386 -0.098 10 0 CBAEMO C[NH+]1CCN(c2nc(CC(N)=O)c3cccn3n2)CC1 ZINC000230448133 352273658 /nfs/dbraw/zinc/27/36/58/352273658.db2.gz DCTSQVRUESOVMO-UHFFFAOYSA-N 1 1 274.328 -0.491 10 0 CBAEMO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CN(C)CCN1C ZINC000235292268 352286532 /nfs/dbraw/zinc/28/65/32/352286532.db2.gz WIRPZXDQENXCSF-GRYCIOLGSA-N 1 1 254.378 -0.796 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000236958309 352297343 /nfs/dbraw/zinc/29/73/43/352297343.db2.gz MISFKAKYXAZVER-NWDGAFQWSA-N 1 1 256.394 -0.134 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000245435577 352320821 /nfs/dbraw/zinc/32/08/21/352320821.db2.gz QNAOXHJIXVEGFG-OLZOCXBDSA-N 1 1 294.399 -0.497 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](C(=O)NC)C2)C1 ZINC000248440940 352352271 /nfs/dbraw/zinc/35/22/71/352352271.db2.gz JYJMDMZHTJZIPM-NWDGAFQWSA-N 1 1 298.387 -0.373 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000248615186 352353991 /nfs/dbraw/zinc/35/39/91/352353991.db2.gz LUOIDGPQBRJRCI-SRVKXCTJSA-N 1 1 298.387 -0.686 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000246038631 352327129 /nfs/dbraw/zinc/32/71/29/352327129.db2.gz NKSATWDRIVEHSW-UWVGGRQHSA-N 1 1 282.348 -0.266 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000246038631 352327132 /nfs/dbraw/zinc/32/71/32/352327132.db2.gz NKSATWDRIVEHSW-UWVGGRQHSA-N 1 1 282.348 -0.266 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CS(=O)(=O)NC ZINC000246151585 352328668 /nfs/dbraw/zinc/32/86/68/352328668.db2.gz PFRAOVCHCUREEQ-QWRGUYRKSA-N 1 1 289.401 -0.379 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000246308678 352331017 /nfs/dbraw/zinc/33/10/17/352331017.db2.gz CHYJWXFVEHHZNJ-NWDGAFQWSA-N 1 1 255.362 -0.273 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246298114 352331589 /nfs/dbraw/zinc/33/15/89/352331589.db2.gz CWFBGLIROXXGSR-MGPQQGTHSA-N 1 1 298.383 -0.151 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246298114 352331594 /nfs/dbraw/zinc/33/15/94/352331594.db2.gz CWFBGLIROXXGSR-MGPQQGTHSA-N 1 1 298.383 -0.151 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1N1CCOCC1 ZINC000246397402 352332684 /nfs/dbraw/zinc/33/26/84/352332684.db2.gz JGGUOHSWDWOYIL-NWDGAFQWSA-N 1 1 296.371 -0.809 10 0 CBAEMO C[C@H]1CN(Cc2nc(N)nc(N)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246577937 352335314 /nfs/dbraw/zinc/33/53/14/352335314.db2.gz VYPJFQNKKGNBCC-VHSXEESVSA-N 1 1 293.375 -0.812 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248656570 352355404 /nfs/dbraw/zinc/35/54/04/352355404.db2.gz RSDAQCZDILVPKA-VXGBXAGGSA-N 1 1 274.361 -0.389 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248656570 352355408 /nfs/dbraw/zinc/35/54/08/352355408.db2.gz RSDAQCZDILVPKA-VXGBXAGGSA-N 1 1 274.361 -0.389 10 0 CBAEMO O[C@@H](Cn1cccn1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000247014602 352341063 /nfs/dbraw/zinc/34/10/63/352341063.db2.gz CHRZENIRWCLEGP-KGLIPLIRSA-N 1 1 291.355 -0.159 10 0 CBAEMO O[C@@H](Cn1cccn1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000247014602 352341066 /nfs/dbraw/zinc/34/10/66/352341066.db2.gz CHRZENIRWCLEGP-KGLIPLIRSA-N 1 1 291.355 -0.159 10 0 CBAEMO CC[C@@H]1CN([C@@H]2CCN(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000247038286 352342359 /nfs/dbraw/zinc/34/23/59/352342359.db2.gz NWEPVLRUPPKASI-YNEHKIRRSA-N 1 1 269.389 -0.006 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247104681 352342428 /nfs/dbraw/zinc/34/24/28/352342428.db2.gz MTVRNRAPLULADL-GHMZBOCLSA-N 1 1 294.417 -0.214 10 0 CBAEMO CC[C@@H]1CN(CCN2C(=O)CCC2=O)CC[N@H+]1C[C@H](C)O ZINC000247190901 352343702 /nfs/dbraw/zinc/34/37/02/352343702.db2.gz OEAXMTKVTNSANY-QWHCGFSZSA-N 1 1 297.399 -0.088 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247148000 352344093 /nfs/dbraw/zinc/34/40/93/352344093.db2.gz LJGVKNWMKCMKOB-ZDUSSCGKSA-N 1 1 296.415 -0.249 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247469996 352346811 /nfs/dbraw/zinc/34/68/11/352346811.db2.gz GTAKFMGQTWMJJT-NSHDSACASA-N 1 1 277.390 -0.411 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000247549036 352347249 /nfs/dbraw/zinc/34/72/49/352347249.db2.gz ZDKWJDMOCCEIHD-QWRGUYRKSA-N 1 1 289.401 -0.379 10 0 CBAEMO COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247492422 352347525 /nfs/dbraw/zinc/34/75/25/352347525.db2.gz UHVHZXBPVSSCGM-RYUDHWBXSA-N 1 1 291.417 -0.022 10 0 CBAEMO COCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)C(N)=O ZINC000247599155 352348119 /nfs/dbraw/zinc/34/81/19/352348119.db2.gz KQXGTNZKCATBRQ-WDEREUQCSA-N 1 1 276.377 -0.015 10 0 CBAEMO COCC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)C(N)=O ZINC000247599155 352348121 /nfs/dbraw/zinc/34/81/21/352348121.db2.gz KQXGTNZKCATBRQ-WDEREUQCSA-N 1 1 276.377 -0.015 10 0 CBAEMO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249371592 352364481 /nfs/dbraw/zinc/36/44/81/352364481.db2.gz WUIKEHYFGHMMKM-UTUOFQBUSA-N 1 1 256.346 -0.185 10 0 CBAEMO CC[C@@](C)(O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000249363118 352364751 /nfs/dbraw/zinc/36/47/51/352364751.db2.gz MBFGPQJXMJGOEB-CHWSQXEVSA-N 1 1 260.378 -0.228 10 0 CBAEMO NC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249602498 352369504 /nfs/dbraw/zinc/36/95/04/352369504.db2.gz YSZMBKBIMWPMIV-UWVGGRQHSA-N 1 1 283.353 -0.049 10 0 CBAEMO NC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249602498 352369507 /nfs/dbraw/zinc/36/95/07/352369507.db2.gz YSZMBKBIMWPMIV-UWVGGRQHSA-N 1 1 283.353 -0.049 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250485440 352373388 /nfs/dbraw/zinc/37/33/88/352373388.db2.gz LFHCHIFBWQKUOK-VHSXEESVSA-N 1 1 260.334 -0.652 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250485440 352373391 /nfs/dbraw/zinc/37/33/91/352373391.db2.gz LFHCHIFBWQKUOK-VHSXEESVSA-N 1 1 260.334 -0.652 10 0 CBAEMO C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000251935886 352376574 /nfs/dbraw/zinc/37/65/74/352376574.db2.gz ZDWUAZQWHPUMOE-RYUDHWBXSA-N 1 1 292.387 -0.064 10 0 CBAEMO CC[NH+]1CCN(C(=O)[C@@H]2Cn3cccc3C(=O)N2)CC1 ZINC000257184854 352385650 /nfs/dbraw/zinc/38/56/50/352385650.db2.gz VKZPLBQSKNGKLA-NSHDSACASA-N 1 1 276.340 -0.236 10 0 CBAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261649280 352392200 /nfs/dbraw/zinc/39/22/00/352392200.db2.gz AHVSURSJZOEBJE-ZDUSSCGKSA-N 1 1 299.415 -0.033 10 0 CBAEMO CCNC(=O)CN(CC)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261922044 352400889 /nfs/dbraw/zinc/40/08/89/352400889.db2.gz KKXQXEDGEQPWIK-KOLCDFICSA-N 1 1 257.334 -0.652 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2noc(CN)n2)C[C@@H]1C ZINC000262177541 352409133 /nfs/dbraw/zinc/40/91/33/352409133.db2.gz IGPMORKQRMVOOL-UWVGGRQHSA-N 1 1 269.349 -0.585 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000262580263 352425975 /nfs/dbraw/zinc/42/59/75/352425975.db2.gz UJDJQPINSYUGJS-AXFHLTTASA-N 1 1 292.401 -0.226 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CCN1C[C@H](C)O ZINC000262824537 352434925 /nfs/dbraw/zinc/43/49/25/352434925.db2.gz XWNBSOVJLISDCA-XQQFMLRXSA-N 1 1 287.404 -0.346 10 0 CBAEMO CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261971532 352402566 /nfs/dbraw/zinc/40/25/66/352402566.db2.gz QQCLCTREEKWNAZ-RTXFEEFZSA-N 1 1 283.372 -0.262 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000262005620 352403280 /nfs/dbraw/zinc/40/32/80/352403280.db2.gz UYVLWBHXGPHPNB-SKDRFNHKSA-N 1 1 269.345 -0.523 10 0 CBAEMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1NCCO[C@@H]1C ZINC000262060677 352405674 /nfs/dbraw/zinc/40/56/74/352405674.db2.gz AUSMSEKTQPFIQD-YGNMPJRFSA-N 1 1 267.373 -0.038 10 0 CBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262086103 352405987 /nfs/dbraw/zinc/40/59/87/352405987.db2.gz CSFPQLWOXVODRU-AGIUHOORSA-N 1 1 285.388 -0.410 10 0 CBAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262086104 352406535 /nfs/dbraw/zinc/40/65/35/352406535.db2.gz CSFPQLWOXVODRU-UPJWGTAASA-N 1 1 285.388 -0.410 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000312570837 352775248 /nfs/dbraw/zinc/77/52/48/352775248.db2.gz UUJQCOZTLSLUOW-MNOVXSKESA-N 1 1 287.360 -0.306 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000312570837 352775251 /nfs/dbraw/zinc/77/52/51/352775251.db2.gz UUJQCOZTLSLUOW-MNOVXSKESA-N 1 1 287.360 -0.306 10 0 CBAEMO OCCC[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000303971049 352745275 /nfs/dbraw/zinc/74/52/75/352745275.db2.gz DBBABPODRMHXPA-ZIAGYGMSSA-N 1 1 272.389 -0.084 10 0 CBAEMO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312752881 352776228 /nfs/dbraw/zinc/77/62/28/352776228.db2.gz ZLTSOCZSGJHZME-MJVIPROJSA-N 1 1 285.388 -0.008 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310766298 352762065 /nfs/dbraw/zinc/76/20/65/352762065.db2.gz NVRRSJOVYNHPRP-DCAQKATOSA-N 1 1 261.318 -0.618 10 0 CBAEMO CCN1CCO[C@@H](CNS(=O)(=O)c2ncc[nH]2)C1 ZINC000311031125 352765113 /nfs/dbraw/zinc/76/51/13/352765113.db2.gz SPGRCSKYBJLGKT-VIFPVBQESA-N 1 1 274.346 -0.591 10 0 CBAEMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1N(C)C ZINC000311252053 352766743 /nfs/dbraw/zinc/76/67/43/352766743.db2.gz TZDYNNLWOSEWDH-RDBSUJKOSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1N(C)C ZINC000311252053 352766745 /nfs/dbraw/zinc/76/67/45/352766745.db2.gz TZDYNNLWOSEWDH-RDBSUJKOSA-N 1 1 271.405 -0.439 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000311859679 352771217 /nfs/dbraw/zinc/77/12/17/352771217.db2.gz UWIVNMKZXBRBJE-GRYCIOLGSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000311859679 352771219 /nfs/dbraw/zinc/77/12/19/352771219.db2.gz UWIVNMKZXBRBJE-GRYCIOLGSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000311859680 352771253 /nfs/dbraw/zinc/77/12/53/352771253.db2.gz UWIVNMKZXBRBJE-IJLUTSLNSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000311859680 352771256 /nfs/dbraw/zinc/77/12/56/352771256.db2.gz UWIVNMKZXBRBJE-IJLUTSLNSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000311859682 352771368 /nfs/dbraw/zinc/77/13/68/352771368.db2.gz UWIVNMKZXBRBJE-QJPTWQEYSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000311859682 352771369 /nfs/dbraw/zinc/77/13/69/352771369.db2.gz UWIVNMKZXBRBJE-QJPTWQEYSA-N 1 1 272.345 -0.637 10 0 CBAEMO Cn1cncc1CCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000314466358 352779952 /nfs/dbraw/zinc/77/99/52/352779952.db2.gz ZDDMXFUXCPZJAC-ZDUSSCGKSA-N 1 1 266.345 -0.335 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000336832449 353062022 /nfs/dbraw/zinc/06/20/22/353062022.db2.gz FGUCUQHSYQGJDM-ZDUSSCGKSA-N 1 1 275.312 -0.459 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000336832449 353062023 /nfs/dbraw/zinc/06/20/23/353062023.db2.gz FGUCUQHSYQGJDM-ZDUSSCGKSA-N 1 1 275.312 -0.459 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846102 353306145 /nfs/dbraw/zinc/30/61/45/353306145.db2.gz GTGNKJMAVZVDQV-MNOVXSKESA-N 1 1 277.386 -0.107 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846102 353306147 /nfs/dbraw/zinc/30/61/47/353306147.db2.gz GTGNKJMAVZVDQV-MNOVXSKESA-N 1 1 277.386 -0.107 10 0 CBAEMO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@@H]1O ZINC000352658617 353499871 /nfs/dbraw/zinc/49/98/71/353499871.db2.gz JZRTWVIDLRCZDV-QWRGUYRKSA-N 1 1 262.375 -0.133 10 0 CBAEMO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCC[C@H]1O ZINC000352658618 353499906 /nfs/dbraw/zinc/49/99/06/353499906.db2.gz JZRTWVIDLRCZDV-WDEREUQCSA-N 1 1 262.375 -0.133 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000367026878 353679091 /nfs/dbraw/zinc/67/90/91/353679091.db2.gz OZDGBJOCXDCWEF-ZDEQEGDKSA-N 1 1 286.372 -0.296 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000367026878 353679092 /nfs/dbraw/zinc/67/90/92/353679092.db2.gz OZDGBJOCXDCWEF-ZDEQEGDKSA-N 1 1 286.372 -0.296 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1C(=O)OC ZINC000380594882 353782452 /nfs/dbraw/zinc/78/24/52/353782452.db2.gz YIJBSUHXNRHPRO-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO CS(=O)(=O)N1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000400203202 353800378 /nfs/dbraw/zinc/80/03/78/353800378.db2.gz PKAVLODHXQAXDY-MNOVXSKESA-N 1 1 261.391 -0.391 10 0 CBAEMO CS(=O)(=O)N1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000400203201 353800401 /nfs/dbraw/zinc/80/04/01/353800401.db2.gz PKAVLODHXQAXDY-GHMZBOCLSA-N 1 1 261.391 -0.391 10 0 CBAEMO Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)n[nH]1 ZINC000404038727 353805522 /nfs/dbraw/zinc/80/55/22/353805522.db2.gz ZONMSARHRBHHPU-WDEREUQCSA-N 1 1 250.302 -0.079 10 0 CBAEMO O=S(=O)(CC1CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404198451 353805687 /nfs/dbraw/zinc/80/56/87/353805687.db2.gz OKCNJCUURGWPKN-GHMZBOCLSA-N 1 1 260.359 -0.211 10 0 CBAEMO Cc1cc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)n[nH]1 ZINC000404038723 353805710 /nfs/dbraw/zinc/80/57/10/353805710.db2.gz ZONMSARHRBHHPU-QWRGUYRKSA-N 1 1 250.302 -0.079 10 0 CBAEMO COCCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404072365 353805959 /nfs/dbraw/zinc/80/59/59/353805959.db2.gz DDPDNHXGASAGEY-WDEREUQCSA-N 1 1 278.374 -0.585 10 0 CBAEMO O=S(=O)(C[C@@H]1CCCO1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404218724 353806481 /nfs/dbraw/zinc/80/64/81/353806481.db2.gz ZRLWEGQCLXUYHQ-QJPTWQEYSA-N 1 1 290.385 -0.442 10 0 CBAEMO COC(=O)N1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000496257566 354539203 /nfs/dbraw/zinc/53/92/03/354539203.db2.gz WZGMWWGZFXVIMA-SNVBAGLBSA-N 1 1 271.317 -0.678 10 0 CBAEMO C[NH+](C)C[C@H](O)CNC[C@@H](O)COCc1ccco1 ZINC000572763005 354897114 /nfs/dbraw/zinc/89/71/14/354897114.db2.gz MZSCZIULIDYMAY-VXGBXAGGSA-N 1 1 272.345 -0.331 10 0 CBAEMO O=S1(=O)NC([C@@H]2C[C@@H](O)C[NH2+]2)=Nc2ccccc21 ZINC000575434075 354936045 /nfs/dbraw/zinc/93/60/45/354936045.db2.gz ISYWMFRQGDKHCH-APPZFPTMSA-N 1 1 267.310 -0.269 10 0 CBAEMO C[N@H+](CCN(CC(N)=O)C(=O)CN)Cc1ccccc1 ZINC000584604061 355033723 /nfs/dbraw/zinc/03/37/23/355033723.db2.gz JIWLBCXRMIQHLM-UHFFFAOYSA-N 1 1 278.356 -0.609 10 0 CBAEMO C[N@@H+](CCN(CC(N)=O)C(=O)CN)Cc1ccccc1 ZINC000584604061 355033725 /nfs/dbraw/zinc/03/37/25/355033725.db2.gz JIWLBCXRMIQHLM-UHFFFAOYSA-N 1 1 278.356 -0.609 10 0 CBAEMO COC(=O)CCCN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000595971485 355331063 /nfs/dbraw/zinc/33/10/63/355331063.db2.gz OMNFLIGOXXWWMP-KOLCDFICSA-N 1 1 258.318 -0.225 10 0 CBAEMO Nc1ccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616639491 356104644 /nfs/dbraw/zinc/10/46/44/356104644.db2.gz PDUCXBSEJLRMJE-SNVBAGLBSA-N 1 1 256.331 -0.581 10 0 CBAEMO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@@H](CN)C1 ZINC000616656938 356107182 /nfs/dbraw/zinc/10/71/82/356107182.db2.gz VKDHWGWTXGSDEV-JTQLQIEISA-N 1 1 258.366 -0.256 10 0 CBAEMO CNc1cccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616600614 356101826 /nfs/dbraw/zinc/10/18/26/356101826.db2.gz GSVRAKBCEXJBHY-NSHDSACASA-N 1 1 270.358 -0.122 10 0 CBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)C3(O)CCOCC3)[C@@H]2C1 ZINC000329191189 283154187 /nfs/dbraw/zinc/15/41/87/283154187.db2.gz QKKVUMUTBFPWBQ-VXGBXAGGSA-N 1 1 284.356 -0.541 10 0 CBAEMO CO[C@H]1CN(C(=O)Cc2ccn[nH]2)[C@](C)(C[NH3+])C1 ZINC000630373719 356840203 /nfs/dbraw/zinc/84/02/03/356840203.db2.gz LCQUWAZCGOWAEZ-PWSUYJOCSA-N 1 1 252.318 -0.083 10 0 CBAEMO CO[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@@](C)(C[NH3+])C1 ZINC000630373711 356840404 /nfs/dbraw/zinc/84/04/04/356840404.db2.gz LCQUWAZCGOWAEZ-CMPLNLGQSA-N 1 1 252.318 -0.083 10 0 CBAEMO C[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1C[NH3+] ZINC000631841412 356910249 /nfs/dbraw/zinc/91/02/49/356910249.db2.gz KHWLOWQGFXMBSX-UWVGGRQHSA-N 1 1 268.361 -0.157 10 0 CBAEMO C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000631842290 356910889 /nfs/dbraw/zinc/91/08/89/356910889.db2.gz YBKHLVUHLMEQSL-VHSXEESVSA-N 1 1 266.345 -0.889 10 0 CBAEMO C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000631842289 356910912 /nfs/dbraw/zinc/91/09/12/356910912.db2.gz YBKHLVUHLMEQSL-UWVGGRQHSA-N 1 1 266.345 -0.889 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1nncn1C ZINC000631963548 356935634 /nfs/dbraw/zinc/93/56/34/356935634.db2.gz FTJPCEIDTQPGBT-ZJUUUORDSA-N 1 1 285.373 -0.328 10 0 CBAEMO C[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000638106638 357419384 /nfs/dbraw/zinc/41/93/84/357419384.db2.gz COPBUYKLGCQUOF-YPMHNXCESA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000638106638 357419387 /nfs/dbraw/zinc/41/93/87/357419387.db2.gz COPBUYKLGCQUOF-YPMHNXCESA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC1=O ZINC000638109024 357419853 /nfs/dbraw/zinc/41/98/53/357419853.db2.gz QWPXJBDSLDECRD-VXGBXAGGSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCNC1=O ZINC000638403785 357469404 /nfs/dbraw/zinc/46/94/04/357469404.db2.gz VBAYIQPBYALFBP-QWHCGFSZSA-N 1 1 290.367 -0.550 10 0 CBAEMO C[C@@H]1C[N@H+](C2CCN(Cc3nc(=O)n(C)[nH]3)CC2)CCO1 ZINC000329291005 202268760 /nfs/dbraw/zinc/26/87/60/202268760.db2.gz QPQLYTZEXBLYOZ-LLVKDONJSA-N 1 1 295.387 -0.207 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000261897435 291209793 /nfs/dbraw/zinc/20/97/93/291209793.db2.gz ABALZYKNDRZLCW-DBIOUOCHSA-N 1 1 290.385 -0.603 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000262383531 291210011 /nfs/dbraw/zinc/21/00/11/291210011.db2.gz XEOYZMWQXDYHKA-PWSUYJOCSA-N 1 1 253.346 -0.330 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178328834 189107700 /nfs/dbraw/zinc/10/77/00/189107700.db2.gz NDGUEGNVJTYULB-LBPRGKRZSA-N 1 1 294.355 -0.055 10 0 CBAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC000178285588 189102783 /nfs/dbraw/zinc/10/27/83/189102783.db2.gz SIPAQGKKISDDPK-JTQLQIEISA-N 1 1 265.317 -0.149 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCCOc1ccccc1 ZINC000179169938 189174077 /nfs/dbraw/zinc/17/40/77/189174077.db2.gz OECZINVTLHNHEX-CHWSQXEVSA-N 1 1 294.351 -0.391 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCCOc1ccccc1 ZINC000179169938 189174078 /nfs/dbraw/zinc/17/40/78/189174078.db2.gz OECZINVTLHNHEX-CHWSQXEVSA-N 1 1 294.351 -0.391 10 0 CBAEMO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)o1 ZINC000179176980 189175324 /nfs/dbraw/zinc/17/53/24/189175324.db2.gz KCXQUQBBSGKIGK-BDAKNGLRSA-N 1 1 255.270 -0.006 10 0 CBAEMO COC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)o1 ZINC000179176980 189175325 /nfs/dbraw/zinc/17/53/25/189175325.db2.gz KCXQUQBBSGKIGK-BDAKNGLRSA-N 1 1 255.270 -0.006 10 0 CBAEMO C[C@](O)(C[N@H+]1CC[C@](O)(C(N)=O)C1)c1ccccc1 ZINC000276502447 193358074 /nfs/dbraw/zinc/35/80/74/193358074.db2.gz XXUPQTIVLWOAPJ-UONOGXRCSA-N 1 1 264.325 -0.184 10 0 CBAEMO O=C1N[C@H](CO)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000014749189 372756234 /nfs/dbraw/zinc/75/62/34/372756234.db2.gz KXSODCYGJPPVLF-CHWSQXEVSA-N 1 1 289.335 -0.810 10 0 CBAEMO O=C1N[C@H](CO)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000014749189 372756242 /nfs/dbraw/zinc/75/62/42/372756242.db2.gz KXSODCYGJPPVLF-CHWSQXEVSA-N 1 1 289.335 -0.810 10 0 CBAEMO CC(=O)N1CCC([N@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000085436141 372773732 /nfs/dbraw/zinc/77/37/32/372773732.db2.gz NKMJAIRRQMFUEQ-LBPRGKRZSA-N 1 1 266.345 -0.293 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000132819948 372797734 /nfs/dbraw/zinc/79/77/34/372797734.db2.gz AOLNECXRMMWPLD-AXFHLTTASA-N 1 1 294.355 -0.330 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176779109 372836033 /nfs/dbraw/zinc/83/60/33/372836033.db2.gz UWMRNFKCRFWPJF-WDEREUQCSA-N 1 1 274.386 -0.026 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176779109 372836036 /nfs/dbraw/zinc/83/60/36/372836036.db2.gz UWMRNFKCRFWPJF-WDEREUQCSA-N 1 1 274.386 -0.026 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000245539457 372882205 /nfs/dbraw/zinc/88/22/05/372882205.db2.gz OALAIRAIKTXSFR-KBPBESRZSA-N 1 1 280.416 -0.071 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000245435578 372882386 /nfs/dbraw/zinc/88/23/86/372882386.db2.gz QNAOXHJIXVEGFG-STQMWFEESA-N 1 1 294.399 -0.497 10 0 CBAEMO CNC(=O)NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247460277 372887756 /nfs/dbraw/zinc/88/77/56/372887756.db2.gz QTNSNMRDFAJZNV-UWVGGRQHSA-N 1 1 254.334 -0.390 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000344681029 217273709 /nfs/dbraw/zinc/27/37/09/217273709.db2.gz QXRVWDOPGPDFDH-QJPTWQEYSA-N 1 1 292.401 -0.651 10 0 CBAEMO C[N@H+]1CCO[C@H]2CN(c3ncnc4n[nH]cc43)C[C@@H]21 ZINC000301671641 372964392 /nfs/dbraw/zinc/96/43/92/372964392.db2.gz QPFKPDROTCTEMY-UWVGGRQHSA-N 1 1 260.301 -0.128 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344730788 217292637 /nfs/dbraw/zinc/29/26/37/217292637.db2.gz UWTALRBRLGAVSP-QWRGUYRKSA-N 1 1 260.334 -0.779 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344730788 217292638 /nfs/dbraw/zinc/29/26/38/217292638.db2.gz UWTALRBRLGAVSP-QWRGUYRKSA-N 1 1 260.334 -0.779 10 0 CBAEMO Cc1[nH+]ccn1-c1cncc(N2C[C@H](O)[C@@H](O)C2)n1 ZINC000333434855 205318372 /nfs/dbraw/zinc/31/83/72/205318372.db2.gz KRYHTESLSOOMNS-UWVGGRQHSA-N 1 1 261.285 -0.487 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902897 217352175 /nfs/dbraw/zinc/35/21/75/217352175.db2.gz XEMRQCCOLADUFT-ZJUUUORDSA-N 1 1 271.317 -0.944 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902897 217352177 /nfs/dbraw/zinc/35/21/77/217352177.db2.gz XEMRQCCOLADUFT-ZJUUUORDSA-N 1 1 271.317 -0.944 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344894763 217347543 /nfs/dbraw/zinc/34/75/43/217347543.db2.gz FZNMTSBCBNUKBZ-VHSXEESVSA-N 1 1 266.363 -0.993 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000344894763 217347546 /nfs/dbraw/zinc/34/75/46/217347546.db2.gz FZNMTSBCBNUKBZ-VHSXEESVSA-N 1 1 266.363 -0.993 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000344891910 217348645 /nfs/dbraw/zinc/34/86/45/217348645.db2.gz BTZVCXJRPKVDCQ-OUAUKWLOSA-N 1 1 265.375 -0.251 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000344891910 217348647 /nfs/dbraw/zinc/34/86/47/217348647.db2.gz BTZVCXJRPKVDCQ-OUAUKWLOSA-N 1 1 265.375 -0.251 10 0 CBAEMO C[NH+](C)CCOC(=S)N[C@@H]1C=CS(=O)(=O)C1 ZINC000040168373 220192645 /nfs/dbraw/zinc/19/26/45/220192645.db2.gz GKKYIJBOIQIFOE-MRVPVSSYSA-N 1 1 264.372 -0.250 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(N)nc(N)n1 ZINC000247189141 189936302 /nfs/dbraw/zinc/93/63/02/189936302.db2.gz LFCKWMQOSWSABR-BDAKNGLRSA-N 1 1 263.349 -0.296 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NC(=O)NC1CCCC1 ZINC000548444848 374197075 /nfs/dbraw/zinc/19/70/75/374197075.db2.gz KGDCBOGIOAUVLS-GHMZBOCLSA-N 1 1 285.344 -0.818 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NC(=O)NC1CCCC1 ZINC000548444848 374197088 /nfs/dbraw/zinc/19/70/88/374197088.db2.gz KGDCBOGIOAUVLS-GHMZBOCLSA-N 1 1 285.344 -0.818 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)C(=O)CCn2cncn2)[N@@H+](C)C1 ZINC000551953277 374251248 /nfs/dbraw/zinc/25/12/48/374251248.db2.gz LDSWSRYQZFMGSV-RYUDHWBXSA-N 1 1 281.360 -0.154 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000647041559 374872694 /nfs/dbraw/zinc/87/26/94/374872694.db2.gz POUXKKIJOFTRIS-KCJUWKMLSA-N 1 1 264.329 -0.401 10 0 CBAEMO C[NH2+][C@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1)c1cnn(C)c1 ZINC000262016671 190047319 /nfs/dbraw/zinc/04/73/19/190047319.db2.gz CLWBZRHWGBXEEZ-AAEUAGOBSA-N 1 1 293.371 -0.194 10 0 CBAEMO C[NH2+][C@H](C(=O)NC[C@@H](C)N1CCOCC1)c1cnn(C)c1 ZINC000262449099 190055619 /nfs/dbraw/zinc/05/56/19/190055619.db2.gz VTKGRYVZNBOWTM-YPMHNXCESA-N 1 1 295.387 -0.483 10 0 CBAEMO COc1ccc([C@H](O)CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000237272911 248164510 /nfs/dbraw/zinc/16/45/10/248164510.db2.gz CFHDCEZVXYUBPB-CHWSQXEVSA-N 1 1 280.324 -0.167 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000357034166 248311472 /nfs/dbraw/zinc/31/14/72/248311472.db2.gz CPDXTBZTJVDLBM-TUAOUCFPSA-N 1 1 298.387 -0.388 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000357034164 248313425 /nfs/dbraw/zinc/31/34/25/248313425.db2.gz CPDXTBZTJVDLBM-QJPTWQEYSA-N 1 1 298.387 -0.388 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105903806 207367623 /nfs/dbraw/zinc/36/76/23/207367623.db2.gz ZJYFKJJKGRNSLI-SNVBAGLBSA-N 1 1 280.332 -0.425 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(N)=O ZINC000245467899 285241783 /nfs/dbraw/zinc/24/17/83/285241783.db2.gz KHDNCQLXXIQDDF-NXEZZACHSA-N 1 1 256.350 -0.014 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000177704792 285274706 /nfs/dbraw/zinc/27/47/06/285274706.db2.gz KHDNCQLXXIQDDF-UWVGGRQHSA-N 1 1 256.350 -0.014 10 0 CBAEMO NC(=S)c1ccc(N2CC[NH+](CCO)CC2)nc1 ZINC000036231596 134813309 /nfs/dbraw/zinc/81/33/09/134813309.db2.gz BAOQJKVFNRNVRF-UHFFFAOYSA-N 1 1 266.370 -0.170 10 0 CBAEMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250207064 287044549 /nfs/dbraw/zinc/04/45/49/287044549.db2.gz RRQZPAPVLFRBGM-MNOVXSKESA-N 1 1 289.401 -0.379 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC(N)=O ZINC000175042001 287223785 /nfs/dbraw/zinc/22/37/85/287223785.db2.gz JVEICCYFRHMDSK-NXEZZACHSA-N 1 1 254.334 -0.260 10 0 CBAEMO CC(=O)Nc1ccc(C2=C3NC(N)=[NH+]N3N(C)N2)cc1 ZINC000005481026 170103446 /nfs/dbraw/zinc/10/34/46/170103446.db2.gz IALMYILISNVFIZ-UHFFFAOYSA-N 1 1 273.300 -0.229 10 0 CBAEMO CC(C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@@H]12)[C@@H](C)O ZINC000005481923 170103906 /nfs/dbraw/zinc/10/39/06/170103906.db2.gz SFVVQRJOGUKCEG-CQROYNQRSA-N 1 1 299.367 -0.327 10 0 biogenic,in-vitro CBAEMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC000020303280 171140531 /nfs/dbraw/zinc/14/05/31/171140531.db2.gz BCWZDXWEPJFAJR-UWVGGRQHSA-N 1 1 256.350 -0.096 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC000020303280 171140534 /nfs/dbraw/zinc/14/05/34/171140534.db2.gz BCWZDXWEPJFAJR-UWVGGRQHSA-N 1 1 256.350 -0.096 10 0 CBAEMO Cc1cc(=O)n(C)c(=O)n1CCC[NH+]1CCOCC1 ZINC000020344157 171154095 /nfs/dbraw/zinc/15/40/95/171154095.db2.gz KVRMLFUCUCDZIU-UHFFFAOYSA-N 1 1 267.329 -0.422 10 0 CBAEMO C[C@@H](C(=O)N1CCOCC1)[N@@H+](C)CCC(N)=S ZINC000020420691 171185624 /nfs/dbraw/zinc/18/56/24/171185624.db2.gz KVNAFRCIOHPUSC-VIFPVBQESA-N 1 1 259.375 -0.158 10 0 CBAEMO C[C@H](C(=O)N1CCCN(C)CC1)N1CC[NH2+]CC1 ZINC000020521351 171234731 /nfs/dbraw/zinc/23/47/31/171234731.db2.gz HBMREUFNKQJYNZ-GFCCVEGCSA-N 1 1 254.378 -0.556 10 0 CBAEMO NS(=O)(=O)CC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000036745178 172673136 /nfs/dbraw/zinc/67/31/36/172673136.db2.gz MLCCZLUIXUIVKE-VIFPVBQESA-N 1 1 258.299 -0.296 10 0 CBAEMO Cc1ccc(C(=O)NCCNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000037903001 173834414 /nfs/dbraw/zinc/83/44/14/173834414.db2.gz XIWHLROZPGEQSJ-LLVKDONJSA-N 1 1 292.339 -0.956 10 0 CBAEMO COc1cc([C@@H]([NH3+])C(N)=O)cc(Cl)c1OCC(N)=O ZINC000037941152 173881263 /nfs/dbraw/zinc/88/12/63/173881263.db2.gz NCXREGYYVNYIMS-SECBINFHSA-N 1 1 287.703 -0.302 10 0 CBAEMO C[N@H+](CC(=O)N1CCNCC1)[C@H]1CCCC[C@@H]1O ZINC000038031609 174026571 /nfs/dbraw/zinc/02/65/71/174026571.db2.gz ZTMFENKOMQOLOA-RYUDHWBXSA-N 1 1 255.362 -0.347 10 0 CBAEMO C[N@@H+](CC(=O)N1CCNCC1)[C@H]1CCCC[C@@H]1O ZINC000038031609 174026573 /nfs/dbraw/zinc/02/65/73/174026573.db2.gz ZTMFENKOMQOLOA-RYUDHWBXSA-N 1 1 255.362 -0.347 10 0 CBAEMO O=C(NCc1nnc[nH]1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043361 174050155 /nfs/dbraw/zinc/05/01/55/174050155.db2.gz PMCCOCMCFYDYHH-NSHDSACASA-N 1 1 278.360 -0.363 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1cccc2c1OCO2 ZINC000040667757 174366776 /nfs/dbraw/zinc/36/67/76/174366776.db2.gz SURNFXZSAAWZPA-MRVPVSSYSA-N 1 1 265.269 -0.766 10 0 CBAEMO Nc1c(=O)[nH]cnc1NCCC[NH+]1CCOCC1 ZINC000040756704 174396099 /nfs/dbraw/zinc/39/60/99/174396099.db2.gz OBGBRPHWXUZWBB-UHFFFAOYSA-N 1 1 253.306 -0.514 10 0 CBAEMO C[N@@H+](CCNC(=O)[C@@H](N)CC(N)=O)C1CCCC1 ZINC000071378588 176143594 /nfs/dbraw/zinc/14/35/94/176143594.db2.gz ZZEYNBJQMNASHR-JTQLQIEISA-N 1 1 256.350 -0.820 10 0 CBAEMO CC[NH+](CC)[C@H](CN)CN1CCN(C(C)=O)CC1 ZINC000076663363 177049924 /nfs/dbraw/zinc/04/99/24/177049924.db2.gz VIWIOIRYABFMCZ-CYBMUJFWSA-N 1 1 256.394 -0.180 10 0 CBAEMO O=C1C[C@H]([NH2+][C@@H]2CCCNC2=O)C(=O)N1C1CC1 ZINC000050395626 544419820 /nfs/dbraw/zinc/41/98/20/544419820.db2.gz GPZKIQTZFHFIOA-BDAKNGLRSA-N 1 1 251.286 -0.856 10 0 CBAEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1COCCN1 ZINC000088370025 544433883 /nfs/dbraw/zinc/43/38/83/544433883.db2.gz GMOFTXGRPWIHHS-JQWIXIFHSA-N 1 1 253.346 -0.425 10 0 CBAEMO CN1CCO[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000091667248 544438862 /nfs/dbraw/zinc/43/88/62/544438862.db2.gz AINJDIFRZQJGIU-SNVBAGLBSA-N 1 1 289.357 -0.653 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cn1cnc(N)n1 ZINC000092621237 544441513 /nfs/dbraw/zinc/44/15/13/544441513.db2.gz RUDBOBXRKDDOMV-JTQLQIEISA-N 1 1 266.349 -0.197 10 0 CBAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000094446656 544443690 /nfs/dbraw/zinc/44/36/90/544443690.db2.gz XBYIDRPJSXDATI-GHMZBOCLSA-N 1 1 278.360 -0.055 10 0 CBAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000094446657 544443772 /nfs/dbraw/zinc/44/37/72/544443772.db2.gz XBYIDRPJSXDATI-WDEREUQCSA-N 1 1 278.360 -0.055 10 0 CBAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCCN3)CC[C@@H]21 ZINC000167523444 544479112 /nfs/dbraw/zinc/47/91/12/544479112.db2.gz VXHZLTIHUBVZIS-AGIUHOORSA-N 1 1 267.373 -0.083 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000177028738 544480483 /nfs/dbraw/zinc/48/04/83/544480483.db2.gz QGLQLAISXUREJN-GHMZBOCLSA-N 1 1 296.371 -0.083 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000245433609 544510938 /nfs/dbraw/zinc/51/09/38/544510938.db2.gz QGLQLAISXUREJN-MNOVXSKESA-N 1 1 296.371 -0.083 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252733853 544514800 /nfs/dbraw/zinc/51/48/00/544514800.db2.gz SVFCFMHYJDOFFJ-OBJOEFQTSA-N 1 1 297.399 -0.089 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252733853 544514805 /nfs/dbraw/zinc/51/48/05/544514805.db2.gz SVFCFMHYJDOFFJ-OBJOEFQTSA-N 1 1 297.399 -0.089 10 0 CBAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O ZINC000261555445 544516048 /nfs/dbraw/zinc/51/60/48/544516048.db2.gz UYWOUFJPJRBGQG-AAEUAGOBSA-N 1 1 292.383 -0.174 10 0 CBAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](N)CC(N)=O ZINC000261555447 544516367 /nfs/dbraw/zinc/51/63/67/544516367.db2.gz UYWOUFJPJRBGQG-WCQYABFASA-N 1 1 292.383 -0.174 10 0 CBAEMO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(-n2cncn2)cc1 ZINC000262078678 544517132 /nfs/dbraw/zinc/51/71/32/544517132.db2.gz DUGYRHVDFJWGHS-TZMCWYRMSA-N 1 1 273.340 -0.063 10 0 CBAEMO CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037819931 419412661 /nfs/dbraw/zinc/41/26/61/419412661.db2.gz WXQVVGQMCYMSAB-LLVKDONJSA-N 1 1 298.387 -0.561 10 0 CBAEMO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037799494 419413405 /nfs/dbraw/zinc/41/34/05/419413405.db2.gz MQZLBFNNYZUBCA-SNVBAGLBSA-N 1 1 293.323 -0.381 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037750136 419413861 /nfs/dbraw/zinc/41/38/61/419413861.db2.gz AOKUQUHBQDLRQQ-RQJHMYQMSA-N 1 1 267.251 -0.010 10 0 CBAEMO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110357880 419486388 /nfs/dbraw/zinc/48/63/88/419486388.db2.gz BVBUBIJNSGNCSV-RYUDHWBXSA-N 1 1 281.356 -0.554 10 0 CBAEMO O=C([C@H]1CNC(=O)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110357867 419486742 /nfs/dbraw/zinc/48/67/42/419486742.db2.gz BVBUBIJNSGNCSV-NEPJUHHUSA-N 1 1 281.356 -0.554 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N1CC(NC(C)=O)C1 ZINC000190031676 419531749 /nfs/dbraw/zinc/53/17/49/419531749.db2.gz CIAACVUGLYMJPS-UHFFFAOYSA-N 1 1 272.349 -0.906 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000392909654 544579284 /nfs/dbraw/zinc/57/92/84/544579284.db2.gz ZJVMRTMVGHMEJV-TUAOUCFPSA-N 1 1 255.362 -0.300 10 0 CBAEMO Nc1ccnc(CN[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)n1 ZINC000643959856 419563653 /nfs/dbraw/zinc/56/36/53/419563653.db2.gz ITMGSFDFFXZMQA-UTUOFQBUSA-N 1 1 277.372 0.136 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000392909654 544579290 /nfs/dbraw/zinc/57/92/90/544579290.db2.gz ZJVMRTMVGHMEJV-TUAOUCFPSA-N 1 1 255.362 -0.300 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000247237817 419593139 /nfs/dbraw/zinc/59/31/39/419593139.db2.gz RWSWZGVMDADYRW-WDEREUQCSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000247237817 419593144 /nfs/dbraw/zinc/59/31/44/419593144.db2.gz RWSWZGVMDADYRW-WDEREUQCSA-N 1 1 286.376 -0.388 10 0 CBAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CCNC1=O ZINC000252649075 419596198 /nfs/dbraw/zinc/59/61/98/419596198.db2.gz OGIIVRQXNFHPEE-LLVKDONJSA-N 1 1 266.345 -0.292 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000311050145 419618546 /nfs/dbraw/zinc/61/85/46/419618546.db2.gz WYBVIEQCRQDNJP-GVXVVHGQSA-N 1 1 256.346 -0.150 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000311050146 419619968 /nfs/dbraw/zinc/61/99/68/419619968.db2.gz WYBVIEQCRQDNJP-LOWVWBTDSA-N 1 1 256.346 -0.150 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000328112188 419627438 /nfs/dbraw/zinc/62/74/38/419627438.db2.gz JHFRFIFVOXXVEB-MNOVXSKESA-N 1 1 284.360 -0.811 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCCc2n[nH]cc2C1 ZINC000404623030 544587089 /nfs/dbraw/zinc/58/70/89/544587089.db2.gz PMIVTZKWMJIIKE-NSHDSACASA-N 1 1 250.302 -0.327 10 0 CBAEMO CCn1cc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)nn1 ZINC000404421491 544587294 /nfs/dbraw/zinc/58/72/94/544587294.db2.gz SHYGBZUYWSNXGJ-SCZZXKLOSA-N 1 1 253.306 -0.709 10 0 CBAEMO CO[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000662921811 419774851 /nfs/dbraw/zinc/77/48/51/419774851.db2.gz NZNKARSTGOHVNH-ZJUUUORDSA-N 1 1 257.334 -0.490 10 0 CBAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]([C@@H]2CNC(=O)CN2)C1 ZINC000669378377 544748237 /nfs/dbraw/zinc/74/82/37/544748237.db2.gz BYOQDXXRWLFUNI-VHSXEESVSA-N 1 1 284.360 -0.717 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000367039749 420098809 /nfs/dbraw/zinc/09/88/09/420098809.db2.gz ZZSXIHOPSIFHER-UONOGXRCSA-N 1 1 294.399 -0.497 10 0 CBAEMO CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000368495409 420134229 /nfs/dbraw/zinc/13/42/29/420134229.db2.gz JRGVHCASVPZYLP-RISCZKNCSA-N 1 1 283.372 -0.302 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNc2ncncc2C(=O)OC)C1 ZINC000382973217 420200857 /nfs/dbraw/zinc/20/08/57/420200857.db2.gz MRQBCBJAOQMVHZ-SNVBAGLBSA-N 1 1 280.328 0.396 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNc2ncncc2C(=O)OC)C1 ZINC000382973217 420200859 /nfs/dbraw/zinc/20/08/59/420200859.db2.gz MRQBCBJAOQMVHZ-SNVBAGLBSA-N 1 1 280.328 0.396 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNc2ncncc2C(=O)OC)C1 ZINC000382973216 420201770 /nfs/dbraw/zinc/20/17/70/420201770.db2.gz MRQBCBJAOQMVHZ-JTQLQIEISA-N 1 1 280.328 0.396 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNc2ncncc2C(=O)OC)C1 ZINC000382973216 420201773 /nfs/dbraw/zinc/20/17/73/420201773.db2.gz MRQBCBJAOQMVHZ-JTQLQIEISA-N 1 1 280.328 0.396 10 0 CBAEMO CCN(CC(=O)N(C)C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000385851579 420202766 /nfs/dbraw/zinc/20/27/66/420202766.db2.gz VEVCTLMBCMCUCS-KOLCDFICSA-N 1 1 257.334 -0.700 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CN(C)CCO1 ZINC000653552642 420150050 /nfs/dbraw/zinc/15/00/50/420150050.db2.gz ZYAMYVDICVWCCG-UONOGXRCSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000653552642 420150055 /nfs/dbraw/zinc/15/00/55/420150055.db2.gz ZYAMYVDICVWCCG-UONOGXRCSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000653552642 420150059 /nfs/dbraw/zinc/15/00/59/420150059.db2.gz ZYAMYVDICVWCCG-UONOGXRCSA-N 1 1 289.420 -0.812 10 0 CBAEMO CC(C)(C(=O)NCc1c[nH]nn1)N1CC[NH2+]CC1 ZINC000398272931 420215982 /nfs/dbraw/zinc/21/59/82/420215982.db2.gz AVAWDCMCZNJYIL-UHFFFAOYSA-N 1 1 252.322 -0.895 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399096044 420218252 /nfs/dbraw/zinc/21/82/52/420218252.db2.gz SPKWSLUQDXUAEO-XWLWVQCSSA-N 1 1 269.345 -0.077 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398864039 420218536 /nfs/dbraw/zinc/21/85/36/420218536.db2.gz SARIRYKQBFTKIW-LPEHRKFASA-N 1 1 255.318 -0.336 10 0 CBAEMO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674464810 544907483 /nfs/dbraw/zinc/90/74/83/544907483.db2.gz KRBUITRFOAVCTH-ZNMIVQPWSA-N 1 1 281.352 -0.008 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1nnnn1C ZINC000678564986 545019650 /nfs/dbraw/zinc/01/96/50/545019650.db2.gz VLCVFNGZHSDZDE-WDEREUQCSA-N 1 1 293.375 -0.369 10 0 CBAEMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000683658792 545066691 /nfs/dbraw/zinc/06/66/91/545066691.db2.gz HNMIWVVJEIIGIA-MELADBBJSA-N 1 1 290.404 -0.339 10 0 CBAEMO COc1cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)on1 ZINC000660521707 420492303 /nfs/dbraw/zinc/49/23/03/420492303.db2.gz LDGCKZVRVYXLMP-LLVKDONJSA-N 1 1 255.274 -0.505 10 0 CBAEMO COc1cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)on1 ZINC000660521707 420492305 /nfs/dbraw/zinc/49/23/05/420492305.db2.gz LDGCKZVRVYXLMP-LLVKDONJSA-N 1 1 255.274 -0.505 10 0 CBAEMO COc1cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)on1 ZINC000660521709 420492702 /nfs/dbraw/zinc/49/27/02/420492702.db2.gz LDGCKZVRVYXLMP-NSHDSACASA-N 1 1 255.274 -0.505 10 0 CBAEMO COc1cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)on1 ZINC000660521709 420492703 /nfs/dbraw/zinc/49/27/03/420492703.db2.gz LDGCKZVRVYXLMP-NSHDSACASA-N 1 1 255.274 -0.505 10 0 CBAEMO CCOC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000328430768 269584194 /nfs/dbraw/zinc/58/41/94/269584194.db2.gz AYMUXFWOQSZUGN-MNOVXSKESA-N 1 1 285.344 -0.336 10 0 CBAEMO CCN(CC(C)(O)O)[C@H](O)C[N@@H+](CC)C[C@@H](C)O ZINC000215825735 276135349 /nfs/dbraw/zinc/13/53/49/276135349.db2.gz LELFURRFUGDSSE-GHMZBOCLSA-N 1 1 264.366 -0.970 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CC(N)=O ZINC000220942558 276180735 /nfs/dbraw/zinc/18/07/35/276180735.db2.gz RDZJOYJTVCVWHI-UWVGGRQHSA-N 1 1 256.350 -0.868 10 0 CBAEMO CCCN(CCC)C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312365674 276252240 /nfs/dbraw/zinc/25/22/40/276252240.db2.gz ZXNGPWVCOKZQKO-AWEZNQCLSA-N 1 1 285.388 -0.053 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1C[C@@H](F)CN1 ZINC000725260502 545083533 /nfs/dbraw/zinc/08/35/33/545083533.db2.gz VBGNGZVZXRDGMN-APPZFPTMSA-N 1 1 253.281 -0.334 10 0 CBAEMO C[C@@H]1C[NH2+]CC2(CCN(C(=O)CN(C)C)CC2)O1 ZINC000725272416 545083867 /nfs/dbraw/zinc/08/38/67/545083867.db2.gz PZKIFAGXTCBSLW-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO CN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247187135 277011779 /nfs/dbraw/zinc/01/17/79/277011779.db2.gz SKSMBHCMABVEQK-GHMZBOCLSA-N 1 1 267.329 -0.850 10 0 CBAEMO CN1C(=O)C[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247187135 277011780 /nfs/dbraw/zinc/01/17/80/277011780.db2.gz SKSMBHCMABVEQK-GHMZBOCLSA-N 1 1 267.329 -0.850 10 0 CBAEMO CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261971536 277034759 /nfs/dbraw/zinc/03/47/59/277034759.db2.gz QQCLCTREEKWNAZ-WXHSDQCUSA-N 1 1 283.372 -0.262 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248619661 277228331 /nfs/dbraw/zinc/22/83/31/277228331.db2.gz MRXOHASUJJHOAA-MNOVXSKESA-N 1 1 259.350 -0.271 10 0 CBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccn3C)C[C@H]2[N@@H+]1C ZINC000248092100 277246172 /nfs/dbraw/zinc/24/61/72/277246172.db2.gz CIFYIKFSCWWTDI-WCFLWFBJSA-N 1 1 290.367 -0.084 10 0 CBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccn3C)C[C@H]2[N@H+]1C ZINC000248092100 277246173 /nfs/dbraw/zinc/24/61/73/277246173.db2.gz CIFYIKFSCWWTDI-WCFLWFBJSA-N 1 1 290.367 -0.084 10 0 CBAEMO CO[C@@H]1COC[C@@H]1[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000333743427 277302603 /nfs/dbraw/zinc/30/26/03/277302603.db2.gz WGJBUQSTYVCALJ-GZBFAFLISA-N 1 1 298.383 -0.151 10 0 CBAEMO C[C@H]1CN(c2nccn(C)c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000176704205 279892022 /nfs/dbraw/zinc/89/20/22/279892022.db2.gz OHNSWCTWHMHDRA-RYUDHWBXSA-N 1 1 278.356 -0.063 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000262235262 280057595 /nfs/dbraw/zinc/05/75/95/280057595.db2.gz KMGQALJIVRDMRX-AGIUHOORSA-N 1 1 283.372 -0.704 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000262226323 280057968 /nfs/dbraw/zinc/05/79/68/280057968.db2.gz JYOYDCYOHXPSAA-KOLCDFICSA-N 1 1 250.302 -0.398 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000261984342 280058953 /nfs/dbraw/zinc/05/89/53/280058953.db2.gz RZVJJODXNWQYDH-YTWAJWBKSA-N 1 1 269.345 -0.476 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)OC ZINC000180839593 281194238 /nfs/dbraw/zinc/19/42/38/281194238.db2.gz QLICVKIDCBTVEJ-NWDGAFQWSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000251738000 288307014 /nfs/dbraw/zinc/30/70/14/288307014.db2.gz KRIQHZLXVQJUOV-NEPJUHHUSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000251738000 288307016 /nfs/dbraw/zinc/30/70/16/288307016.db2.gz KRIQHZLXVQJUOV-NEPJUHHUSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000246967238 290117454 /nfs/dbraw/zinc/11/74/54/290117454.db2.gz KCOQOTRVZFNYJJ-GRYCIOLGSA-N 1 1 255.362 -0.396 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNC(N)=O ZINC000247008940 297097658 /nfs/dbraw/zinc/09/76/58/297097658.db2.gz FSQOAISEQMTFOC-ZJUUUORDSA-N 1 1 254.334 -0.260 10 0 CBAEMO COCCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404072362 327988517 /nfs/dbraw/zinc/98/85/17/327988517.db2.gz DDPDNHXGASAGEY-QWRGUYRKSA-N 1 1 278.374 -0.585 10 0 CBAEMO Cc1n[nH]cc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404218165 326957728 /nfs/dbraw/zinc/95/77/28/326957728.db2.gz ZKNMBSGROTYGDU-NXEZZACHSA-N 1 1 286.357 -0.530 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252659298 334384229 /nfs/dbraw/zinc/38/42/29/334384229.db2.gz MDEVPKRCULFXFI-STQMWFEESA-N 1 1 287.404 -0.474 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252659296 334384270 /nfs/dbraw/zinc/38/42/70/334384270.db2.gz MDEVPKRCULFXFI-OLZOCXBDSA-N 1 1 287.404 -0.474 10 0 CBAEMO COCC[C@H]([NH3+])C(=O)N1CCCN(CCOC)CC1 ZINC000052809124 521940755 /nfs/dbraw/zinc/94/07/55/521940755.db2.gz YMTIKVKCIGMREQ-LBPRGKRZSA-N 1 1 273.377 -0.469 10 0 CBAEMO CC(C)[C@H](CN(C)C)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049204890 519814833 /nfs/dbraw/zinc/81/48/33/519814833.db2.gz IPMVFJBZQWALSW-NSHDSACASA-N 1 1 280.438 -0.312 10 0 CBAEMO CCNC(=O)[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000049199938 521743811 /nfs/dbraw/zinc/74/38/11/521743811.db2.gz MRQRFOFHDRCKQM-APPZFPTMSA-N 1 1 253.302 -0.610 10 0 CBAEMO CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000049199943 521745633 /nfs/dbraw/zinc/74/56/33/521745633.db2.gz MRQRFOFHDRCKQM-CBAPKCEASA-N 1 1 253.302 -0.610 10 0 CBAEMO CN(C)C[C@@H]1CCCN1S(=O)(=O)N(C)CCC[NH3+] ZINC000061644255 521841028 /nfs/dbraw/zinc/84/10/28/521841028.db2.gz PYWVNCNGTRKYKZ-NSHDSACASA-N 1 1 278.422 -0.462 10 0 CBAEMO C[NH+](C)C[C@H]1CCCN1CC(=O)N1CCNCC1 ZINC000061644381 521865372 /nfs/dbraw/zinc/86/53/72/521865372.db2.gz OPLFRVFCOSQVAS-GFCCVEGCSA-N 1 1 254.378 -0.556 10 0 CBAEMO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145184 521944446 /nfs/dbraw/zinc/94/44/46/521944446.db2.gz DQQOQFCCTJYUQD-JQWIXIFHSA-N 1 1 271.361 -0.021 10 0 CBAEMO COC[C@H](C)NC(=O)CN[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567412 522603013 /nfs/dbraw/zinc/60/30/13/522603013.db2.gz HWYQQQBZQBSNQX-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO COC[C@H](C)NC(=O)CN[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567412 522603020 /nfs/dbraw/zinc/60/30/20/522603020.db2.gz HWYQQQBZQBSNQX-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO CCn1c(SC[C@@](C)([NH3+])C(=O)OC)n[nH]c1=O ZINC000061607752 523238479 /nfs/dbraw/zinc/23/84/79/523238479.db2.gz HTHUUVZKGZQDJL-SECBINFHSA-N 1 1 260.319 -0.426 10 0 CBAEMO C[N@H+]1CCCC[C@H]1CCNCCNS(C)(=O)=O ZINC000052205549 523798305 /nfs/dbraw/zinc/79/83/05/523798305.db2.gz FCBIXAFRMRAEGJ-NSHDSACASA-N 1 1 263.407 0.000 10 0 CBAEMO C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnc(N)nc1 ZINC000050672039 523799501 /nfs/dbraw/zinc/79/95/01/523799501.db2.gz GSMGBYZJUZDLHI-VIFPVBQESA-N 1 1 285.373 -0.179 10 0 CBAEMO C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnc(N)nc1 ZINC000050672039 523799506 /nfs/dbraw/zinc/79/95/06/523799506.db2.gz GSMGBYZJUZDLHI-VIFPVBQESA-N 1 1 285.373 -0.179 10 0 CBAEMO CC[C@H](C(N)=O)N1CCN(CCCCC[NH3+])CC1 ZINC000061676141 523818068 /nfs/dbraw/zinc/81/80/68/523818068.db2.gz CGQLGCXSESBNTM-GFCCVEGCSA-N 1 1 256.394 -0.003 10 0 CBAEMO CC[C@H](C)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000055078051 523949611 /nfs/dbraw/zinc/94/96/11/523949611.db2.gz XDUCUPQWZJKCPP-SDDRHHMPSA-N 1 1 255.362 -0.348 10 0 CBAEMO C[NH+](C)CC1CCN([C@H]2CS(=O)(=O)C[C@H]2N)CC1 ZINC000054493300 524050192 /nfs/dbraw/zinc/05/01/92/524050192.db2.gz GITQCTYXXZHPJM-NEPJUHHUSA-N 1 1 275.418 -0.616 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)C[NH+]1CCCC1 ZINC000049164954 524078133 /nfs/dbraw/zinc/07/81/33/524078133.db2.gz HJTPNILFMVBZEE-UWVGGRQHSA-N 1 1 256.350 -0.096 10 0 CBAEMO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000049559718 524470935 /nfs/dbraw/zinc/47/09/35/524470935.db2.gz KLGMUBJBTREQNA-VHSXEESVSA-N 1 1 279.406 -0.795 10 0 CBAEMO C[C@@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000049547283 525872329 /nfs/dbraw/zinc/87/23/29/525872329.db2.gz VYCIFZUSIXKGIC-APPZFPTMSA-N 1 1 251.286 -0.119 10 0 CBAEMO C[C@@H](O)c1ccccc1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000049547280 525873093 /nfs/dbraw/zinc/87/30/93/525873093.db2.gz VYCIFZUSIXKGIC-VXNVDRBHSA-N 1 1 251.286 -0.119 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000049547701 526902475 /nfs/dbraw/zinc/90/24/75/526902475.db2.gz NWNRQZYSIXDLBG-RXMQYKEDSA-N 1 1 254.315 -0.227 10 0 CBAEMO COC(C[NH+]1CCN(c2ccc3nncn3n2)CC1)OC ZINC000136760335 536507093 /nfs/dbraw/zinc/50/70/93/536507093.db2.gz VPAZMBMUZOHXDG-UHFFFAOYSA-N 1 1 292.343 -0.135 10 0 CBAEMO NC(=S)c1ncccc1CN1CC[NH+](CCO)CC1 ZINC000061659758 527122858 /nfs/dbraw/zinc/12/28/58/527122858.db2.gz HPYVBTVIAKKQSM-UHFFFAOYSA-N 1 1 280.397 -0.174 10 0 CBAEMO Nc1n[nH]cc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000049574479 527540514 /nfs/dbraw/zinc/54/05/14/527540514.db2.gz HKGFKBGDNOUBME-UHFFFAOYSA-N 1 1 273.362 -0.244 10 0 CBAEMO Cn1ncc2c1nc(CN1CC[NH+](C)CC1)nc2N ZINC000063077698 527582300 /nfs/dbraw/zinc/58/23/00/527582300.db2.gz DEBPSZYECPJZIH-UHFFFAOYSA-N 1 1 261.333 -0.307 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136209860 582125705 /nfs/dbraw/zinc/12/57/05/582125705.db2.gz MJSYIDZDFVPTFA-GXTWGEPZSA-N 1 1 268.405 -0.119 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]1C(N)=O ZINC000757156509 582305133 /nfs/dbraw/zinc/30/51/33/582305133.db2.gz KYLURGHCLHOOJM-CHWSQXEVSA-N 1 1 290.367 -0.468 10 0 CBAEMO [NH3+][C@@H](CS(=O)(=O)N1CCOCC1)c1ccccn1 ZINC000757154077 582305177 /nfs/dbraw/zinc/30/51/77/582305177.db2.gz VKCAOUQDBGYJSN-JTQLQIEISA-N 1 1 271.342 -0.257 10 0 CBAEMO NS(=O)(=O)C[C@@H]1OC(=O)C[C@]12C[NH+]1CCC2CC1 ZINC000757216173 582305366 /nfs/dbraw/zinc/30/53/66/582305366.db2.gz GWFWCDBCBPJITA-GXSJLCMTSA-N 1 1 274.342 -0.698 10 0 CBAEMO COc1ccc(CCNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000037622907 656002409 /nfs/dbraw/zinc/00/24/09/656002409.db2.gz SFUFBLDOGLIEMS-NSHDSACASA-N 1 1 265.313 -0.443 10 0 CBAEMO C[C@@H](Cc1cccs1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037628228 656003270 /nfs/dbraw/zinc/00/32/70/656003270.db2.gz ZTGOPZRGSOGAEG-CBAPKCEASA-N 1 1 255.343 -0.002 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000037628052 656003466 /nfs/dbraw/zinc/00/34/66/656003466.db2.gz RWDNKGZBECDTSK-JTQLQIEISA-N 1 1 277.328 -0.177 10 0 CBAEMO CN(Cc1ccc(F)cc1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037655166 656003494 /nfs/dbraw/zinc/00/34/94/656003494.db2.gz KMJNQSDWIRBFSG-SNVBAGLBSA-N 1 1 253.277 -0.013 10 0 CBAEMO COCCOc1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037767314 656003955 /nfs/dbraw/zinc/00/39/55/656003955.db2.gz PUAJHSQHEHZMHR-NSHDSACASA-N 1 1 281.312 -0.147 10 0 CBAEMO Cc1ccc(C(=O)NCCNC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000037903002 656004715 /nfs/dbraw/zinc/00/47/15/656004715.db2.gz XIWHLROZPGEQSJ-NSHDSACASA-N 1 1 292.339 -0.956 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805536 656005233 /nfs/dbraw/zinc/00/52/33/656005233.db2.gz HQWDUZZTLZTZGP-VIFPVBQESA-N 1 1 279.296 -0.723 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040810316 656005241 /nfs/dbraw/zinc/00/52/41/656005241.db2.gz ZKLPEQRLVWUZOM-BDAKNGLRSA-N 1 1 279.296 -0.855 10 0 CBAEMO Cc1ncc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)s1 ZINC000040998124 656005955 /nfs/dbraw/zinc/00/59/55/656005955.db2.gz XVBPCOXSICJXNY-RKDXNWHRSA-N 1 1 262.356 -0.301 10 0 CBAEMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cn1 ZINC000062070594 656032682 /nfs/dbraw/zinc/03/26/82/656032682.db2.gz MDSFDDJXXOFSQJ-NXEZZACHSA-N 1 1 272.326 -0.662 10 0 CBAEMO C[NH+](C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccco1 ZINC000089312195 656053726 /nfs/dbraw/zinc/05/37/26/656053726.db2.gz BQBAFYREROTIMB-RKDXNWHRSA-N 1 1 266.301 -0.320 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094996388 656061978 /nfs/dbraw/zinc/06/19/78/656061978.db2.gz ASAMNCVLXGVETG-CIUDSAMLSA-N 1 1 271.317 -0.429 10 0 CBAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000159079075 656077326 /nfs/dbraw/zinc/07/73/26/656077326.db2.gz GKVCRNFODRQVGE-LBPRGKRZSA-N 1 1 284.356 -0.191 10 0 CBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000159079075 656077329 /nfs/dbraw/zinc/07/73/29/656077329.db2.gz GKVCRNFODRQVGE-LBPRGKRZSA-N 1 1 284.356 -0.191 10 0 CBAEMO CN(C)c1nc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc[nH+]1 ZINC000219542271 656104809 /nfs/dbraw/zinc/10/48/09/656104809.db2.gz RDNJVRFNYNHFLU-ZJUUUORDSA-N 1 1 297.384 -0.882 10 0 CBAEMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000227475866 656108726 /nfs/dbraw/zinc/10/87/26/656108726.db2.gz NHXCEQNEAFUYIH-VXGBXAGGSA-N 1 1 271.338 -0.574 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000227801827 656108746 /nfs/dbraw/zinc/10/87/46/656108746.db2.gz GEADHFWHBXWOKA-VIFPVBQESA-N 1 1 251.261 -0.083 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000227753179 656108885 /nfs/dbraw/zinc/10/88/85/656108885.db2.gz RHLITBXJWWPIQC-GXSJLCMTSA-N 1 1 295.339 -0.675 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227807204 656108935 /nfs/dbraw/zinc/10/89/35/656108935.db2.gz MNOHAQBYGTZCBJ-WDEREUQCSA-N 1 1 272.345 -0.120 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000246854212 656119164 /nfs/dbraw/zinc/11/91/64/656119164.db2.gz FCTKRSLQKDEMJB-ZIAGYGMSSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000246854212 656119167 /nfs/dbraw/zinc/11/91/67/656119167.db2.gz FCTKRSLQKDEMJB-ZIAGYGMSSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@H]1N1CCOCC1 ZINC000246496623 656119180 /nfs/dbraw/zinc/11/91/80/656119180.db2.gz PRXMSQUSSQKVCX-GRYCIOLGSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@H]1N1CCOCC1 ZINC000246496623 656119184 /nfs/dbraw/zinc/11/91/84/656119184.db2.gz PRXMSQUSSQKVCX-GRYCIOLGSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1CN([C@H]2CCOC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246496623 656119187 /nfs/dbraw/zinc/11/91/87/656119187.db2.gz PRXMSQUSSQKVCX-GRYCIOLGSA-N 1 1 254.330 -0.046 10 0 CBAEMO COC(=O)[C@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248445824 656120083 /nfs/dbraw/zinc/12/00/83/656120083.db2.gz WOORXCGSYTVVIG-RYUDHWBXSA-N 1 1 281.356 -0.255 10 0 CBAEMO COCC[N@H+]1CCN(CN2C[C@@H](OC)CC2=O)C[C@H]1C ZINC000248939616 656120716 /nfs/dbraw/zinc/12/07/16/656120716.db2.gz CLQZAUWMIAUDAJ-OLZOCXBDSA-N 1 1 285.388 -0.156 10 0 CBAEMO CN(C)[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000250354264 656121964 /nfs/dbraw/zinc/12/19/64/656121964.db2.gz MJAFHHKOTSLRNO-QWRGUYRKSA-N 1 1 261.391 -0.296 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252692706 656123231 /nfs/dbraw/zinc/12/32/31/656123231.db2.gz NILNKDOJFFQYBT-NEPJUHHUSA-N 1 1 293.433 -0.042 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000252692706 656123234 /nfs/dbraw/zinc/12/32/34/656123234.db2.gz NILNKDOJFFQYBT-NEPJUHHUSA-N 1 1 293.433 -0.042 10 0 CBAEMO C[C@@H](CN1CCCC1=O)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261839476 656127277 /nfs/dbraw/zinc/12/72/77/656127277.db2.gz AFYCGZYTJFMCHJ-UMNHJUIQSA-N 1 1 269.345 -0.510 10 0 CBAEMO CCNC(=O)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261932142 656127518 /nfs/dbraw/zinc/12/75/18/656127518.db2.gz LSSURJPVXDJRCB-VWYCJHECSA-N 1 1 284.360 -0.717 10 0 CBAEMO CC(C)OC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261934748 656128080 /nfs/dbraw/zinc/12/80/80/656128080.db2.gz MCOOQKOCBMAHNT-KOLCDFICSA-N 1 1 258.318 -0.179 10 0 CBAEMO CC[C@@H]1CN(Cc2noc(CN)n2)CC[N@H+]1C[C@H](C)O ZINC000262271117 656130022 /nfs/dbraw/zinc/13/00/22/656130022.db2.gz SMJJKVQTPGIAJW-WDEREUQCSA-N 1 1 283.376 -0.195 10 0 CBAEMO CC[C@@H]1CN(Cc2noc(CN)n2)CC[N@H+]1C[C@@H](C)O ZINC000262271112 656130137 /nfs/dbraw/zinc/13/01/37/656130137.db2.gz SMJJKVQTPGIAJW-GHMZBOCLSA-N 1 1 283.376 -0.195 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CCN1C[C@H](C)O ZINC000262429298 656132507 /nfs/dbraw/zinc/13/25/07/656132507.db2.gz STIMFBXWSGSENA-SDDRHHMPSA-N 1 1 257.378 -0.115 10 0 CBAEMO Cc1ncccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000700468475 656176283 /nfs/dbraw/zinc/17/62/83/656176283.db2.gz DPBIGKSCPPPJQD-GHMZBOCLSA-N 1 1 256.327 -0.362 10 0 CBAEMO COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000710749168 656200644 /nfs/dbraw/zinc/20/06/44/656200644.db2.gz XFJGUIUOZKDHEO-OCCSQVGLSA-N 1 1 283.372 -0.702 10 0 CBAEMO COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CNCCO1 ZINC000710749168 656200646 /nfs/dbraw/zinc/20/06/46/656200646.db2.gz XFJGUIUOZKDHEO-OCCSQVGLSA-N 1 1 283.372 -0.702 10 0 CBAEMO C[N@H+]1CCN(C(=O)[C@H]2COCCN2)CCC1(C)C ZINC000712672324 656211209 /nfs/dbraw/zinc/21/12/09/656211209.db2.gz VGTXQPPRVQIFAJ-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO C/C=C/[C@@H](O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000908365554 656712029 /nfs/dbraw/zinc/71/20/29/656712029.db2.gz GVIZNQLKJZERCJ-VWLQNONNSA-N 1 1 256.346 -0.163 10 0 CBAEMO C[C@@H](C(=O)N1CCOC[C@H]1CO)[NH+]1CCSCC1 ZINC000912419091 657256512 /nfs/dbraw/zinc/25/65/12/657256512.db2.gz ROVUUSZEDDFPGO-WDEREUQCSA-N 1 1 274.386 -0.357 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000929648032 659156715 /nfs/dbraw/zinc/15/67/15/659156715.db2.gz MANKCEHZZCJFIC-SRVKXCTJSA-N 1 1 254.334 -0.268 10 0 CBAEMO NC(=O)[C@@H]1C[N@@H+](C[C@H]2COCCO2)C[C@H]1C(F)(F)F ZINC000930747830 659336226 /nfs/dbraw/zinc/33/62/26/659336226.db2.gz TZDRKJTZYVGILH-DJLDLDEBSA-N 1 1 282.262 -0.003 10 0 CBAEMO CN(C)C[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000172196472 282122000 /nfs/dbraw/zinc/12/20/00/282122000.db2.gz JPFGMHUUVCRUIM-JTQLQIEISA-N 1 1 256.350 -0.155 10 0 CBAEMO CN(C)C[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000172196472 282122001 /nfs/dbraw/zinc/12/20/01/282122001.db2.gz JPFGMHUUVCRUIM-JTQLQIEISA-N 1 1 256.350 -0.155 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000125184843 187173510 /nfs/dbraw/zinc/17/35/10/187173510.db2.gz TWRAWQUSRQNOIU-SNVBAGLBSA-N 1 1 268.317 -0.861 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000125184843 187173511 /nfs/dbraw/zinc/17/35/11/187173511.db2.gz TWRAWQUSRQNOIU-SNVBAGLBSA-N 1 1 268.317 -0.861 10 0 CBAEMO C[C@H]1C[NH2+]CCN1C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000125404706 187183436 /nfs/dbraw/zinc/18/34/36/187183436.db2.gz RNBIIQNQYVMABB-VIFPVBQESA-N 1 1 289.343 -0.391 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000132819747 529405157 /nfs/dbraw/zinc/40/51/57/529405157.db2.gz AOLNECXRMMWPLD-MXWKQRLJSA-N 1 1 294.355 -0.330 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CCN2CCCC2=O)C[C@H]1C ZINC000247375841 290112473 /nfs/dbraw/zinc/11/24/73/290112473.db2.gz VFTVCTQNLJEOPK-OLZOCXBDSA-N 1 1 269.389 -0.004 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)CC1CC(O)C1 ZINC000091490672 180170126 /nfs/dbraw/zinc/17/01/26/180170126.db2.gz FJLGRTDRVQWJSU-UHFFFAOYSA-N 1 1 285.388 -0.326 10 0 CBAEMO Cc1cnn(CCNC(=O)C2CC[NH+](CC(N)=O)CC2)c1 ZINC000092022700 180307623 /nfs/dbraw/zinc/30/76/23/180307623.db2.gz WBLUHHTUKNEXSN-UHFFFAOYSA-N 1 1 293.371 -0.495 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000105834599 186076005 /nfs/dbraw/zinc/07/60/05/186076005.db2.gz VJCZLPCRBJEFCG-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000105834599 186076007 /nfs/dbraw/zinc/07/60/07/186076007.db2.gz VJCZLPCRBJEFCG-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000105832325 186076396 /nfs/dbraw/zinc/07/63/96/186076396.db2.gz MQEDGVRISMJBGN-LLVKDONJSA-N 1 1 284.360 -0.809 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000105832325 186076397 /nfs/dbraw/zinc/07/63/97/186076397.db2.gz MQEDGVRISMJBGN-LLVKDONJSA-N 1 1 284.360 -0.809 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000106393766 186113615 /nfs/dbraw/zinc/11/36/15/186113615.db2.gz LKHSQWUBLQSWPU-NSHDSACASA-N 1 1 296.371 -0.490 10 0 CBAEMO CS(=O)(=O)NCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000107304747 186169575 /nfs/dbraw/zinc/16/95/75/186169575.db2.gz ITVWBOHWSNHAQM-NSHDSACASA-N 1 1 287.389 -0.461 10 0 CBAEMO CS(=O)(=O)N1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367710 351388210 /nfs/dbraw/zinc/38/82/10/351388210.db2.gz HRZSMGYRHRIBGX-UHFFFAOYSA-N 1 1 256.331 -0.255 10 0 CBAEMO CC(C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000062115880 351574663 /nfs/dbraw/zinc/57/46/63/351574663.db2.gz HXATUGDCBWVEJQ-ZIAGYGMSSA-N 1 1 282.432 -0.016 10 0 CBAEMO CC[NH+]1CCN(CCN2CCC(=O)[C@H](C(=O)OC)C2)CC1 ZINC000070460856 351640122 /nfs/dbraw/zinc/64/01/22/351640122.db2.gz RYWSMIRGRLVVPM-CYBMUJFWSA-N 1 1 297.399 -0.312 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000068829106 351623187 /nfs/dbraw/zinc/62/31/87/351623187.db2.gz RRHSNSLKTMZCEN-LLVKDONJSA-N 1 1 287.389 -0.146 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000068829106 351623191 /nfs/dbraw/zinc/62/31/91/351623191.db2.gz RRHSNSLKTMZCEN-LLVKDONJSA-N 1 1 287.389 -0.146 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000080440648 351698320 /nfs/dbraw/zinc/69/83/20/351698320.db2.gz YMCKWYWVPMQMHQ-RYUDHWBXSA-N 1 1 255.362 -0.394 10 0 CBAEMO NC(=O)c1cccc(CNC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088371737 351725264 /nfs/dbraw/zinc/72/52/64/351725264.db2.gz XEQJWAKZMRACDB-LLVKDONJSA-N 1 1 263.297 -0.610 10 0 CBAEMO CCNC(=O)C[N@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000111682519 351804871 /nfs/dbraw/zinc/80/48/71/351804871.db2.gz MRGOQNAKFFBJPK-LLVKDONJSA-N 1 1 271.361 -0.572 10 0 CBAEMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000111682519 351804874 /nfs/dbraw/zinc/80/48/74/351804874.db2.gz MRGOQNAKFFBJPK-LLVKDONJSA-N 1 1 271.361 -0.572 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882699 351792191 /nfs/dbraw/zinc/79/21/91/351792191.db2.gz OCCKAPXGEKWECW-LLVKDONJSA-N 1 1 294.359 -0.164 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000093437620 351761269 /nfs/dbraw/zinc/76/12/69/351761269.db2.gz MTMMOPRTYRCARN-WCQYABFASA-N 1 1 292.383 -0.248 10 0 CBAEMO CCOC(=O)COCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000094805446 351765310 /nfs/dbraw/zinc/76/53/10/351765310.db2.gz SPARQRFVHMNRAH-CYBMUJFWSA-N 1 1 286.372 -0.027 10 0 CBAEMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)nn1 ZINC000095069631 351767676 /nfs/dbraw/zinc/76/76/76/351767676.db2.gz GQERBQNGLAHKRQ-VIFPVBQESA-N 1 1 256.331 -0.233 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)cn1 ZINC000116323739 351821918 /nfs/dbraw/zinc/82/19/18/351821918.db2.gz VWIGBPIWURSFNH-SNVBAGLBSA-N 1 1 277.328 -0.239 10 0 CBAEMO CCS(=O)(=O)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783028 351822502 /nfs/dbraw/zinc/82/25/02/351822502.db2.gz UDLXRUXAVQGXKK-SNVBAGLBSA-N 1 1 278.374 -0.790 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)C[C@H]1C ZINC000117277062 351825437 /nfs/dbraw/zinc/82/54/37/351825437.db2.gz PISXVRSEFHIMPJ-VXGBXAGGSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)C[C@H]1C ZINC000117277062 351825439 /nfs/dbraw/zinc/82/54/39/351825439.db2.gz PISXVRSEFHIMPJ-VXGBXAGGSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C ZINC000117279409 351825570 /nfs/dbraw/zinc/82/55/70/351825570.db2.gz BPOOWBXSYLLCMA-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C ZINC000117279409 351825573 /nfs/dbraw/zinc/82/55/73/351825573.db2.gz BPOOWBXSYLLCMA-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)C[C@@H]1C ZINC000117277059 351825689 /nfs/dbraw/zinc/82/56/89/351825689.db2.gz PISXVRSEFHIMPJ-NWDGAFQWSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)C[C@@H]1C ZINC000117277059 351825692 /nfs/dbraw/zinc/82/56/92/351825692.db2.gz PISXVRSEFHIMPJ-NWDGAFQWSA-N 1 1 283.372 -0.308 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@H]1C ZINC000117471282 351826482 /nfs/dbraw/zinc/82/64/82/351826482.db2.gz MULMTFAZDYKNKB-LLVKDONJSA-N 1 1 286.376 -0.563 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@H]1C ZINC000117471282 351826485 /nfs/dbraw/zinc/82/64/85/351826485.db2.gz MULMTFAZDYKNKB-LLVKDONJSA-N 1 1 286.376 -0.563 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC1=O ZINC000113271185 351812610 /nfs/dbraw/zinc/81/26/10/351812610.db2.gz GPTLVDWBDMMCTP-WDEREUQCSA-N 1 1 266.345 -0.293 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(N)nc(N)n1 ZINC000113271793 351812738 /nfs/dbraw/zinc/81/27/38/351812738.db2.gz LFCKWMQOSWSABR-DTWKUNHWSA-N 1 1 263.349 -0.296 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)CN(C)C1=O ZINC000113232036 351813054 /nfs/dbraw/zinc/81/30/54/351813054.db2.gz DTXGXNUBFPWJTC-GHMZBOCLSA-N 1 1 294.355 -0.425 10 0 CBAEMO O=C(NC[C@@H](O)CN1CCOCC1)c1c([O-])cccc1F ZINC000127317298 351862750 /nfs/dbraw/zinc/86/27/50/351862750.db2.gz GLVIWAAOALQQNI-SNVBAGLBSA-N 1 1 298.314 -0.046 10 0 CBAEMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(N)=O ZINC000151245977 351934515 /nfs/dbraw/zinc/93/45/15/351934515.db2.gz HUNATKAHGRLCQO-ZJUUUORDSA-N 1 1 256.350 -0.158 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000135449844 351914334 /nfs/dbraw/zinc/91/43/34/351914334.db2.gz FZRPJRDIHUYZSS-VIFPVBQESA-N 1 1 265.317 -0.292 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000135449844 351914337 /nfs/dbraw/zinc/91/43/37/351914337.db2.gz FZRPJRDIHUYZSS-VIFPVBQESA-N 1 1 265.317 -0.292 10 0 CBAEMO CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000157549964 351955906 /nfs/dbraw/zinc/95/59/06/351955906.db2.gz LWKZDXUCIVTYIQ-GFCCVEGCSA-N 1 1 285.388 -0.326 10 0 CBAEMO O[C@H](CN1CCOCC1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000171626293 352013705 /nfs/dbraw/zinc/01/37/05/352013705.db2.gz VOGAEJIKFYZFHW-UONOGXRCSA-N 1 1 269.389 -0.541 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173950904 352043559 /nfs/dbraw/zinc/04/35/59/352043559.db2.gz JHJQPJBSBKXDHQ-LSDHHAIUSA-N 1 1 299.415 -0.914 10 0 CBAEMO CCNC(=O)CC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000174077539 352044692 /nfs/dbraw/zinc/04/46/92/352044692.db2.gz CRZPFCZIGSWGKU-GFCCVEGCSA-N 1 1 257.378 -0.099 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CCN1C(=O)CNC1=O ZINC000175346220 352055614 /nfs/dbraw/zinc/05/56/14/352055614.db2.gz MLXAHMPHFLREFI-NSHDSACASA-N 1 1 268.361 -0.046 10 0 CBAEMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175589663 352057917 /nfs/dbraw/zinc/05/79/17/352057917.db2.gz ZRRWVLPVVMKEQT-VXGBXAGGSA-N 1 1 255.362 -0.225 10 0 CBAEMO CN(C)c1nc(N)nc(CN2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000177059447 352070491 /nfs/dbraw/zinc/07/04/91/352070491.db2.gz LZSQPCAPKXJWGN-SNVBAGLBSA-N 1 1 277.376 -0.200 10 0 CBAEMO C[C@@H]1CN(Cc2nc(N)nc(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177223384 352071412 /nfs/dbraw/zinc/07/14/12/352071412.db2.gz VYPJFQNKKGNBCC-ZJUUUORDSA-N 1 1 293.375 -0.812 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177310305 352072394 /nfs/dbraw/zinc/07/23/94/352072394.db2.gz XCIIXBVMYAGDRP-NSHDSACASA-N 1 1 296.375 -0.010 10 0 CBAEMO C[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1N1CCOCC1 ZINC000177264081 352072734 /nfs/dbraw/zinc/07/27/34/352072734.db2.gz PQDPZQNDRKIZHH-OLZOCXBDSA-N 1 1 258.362 -0.352 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171897664 352018136 /nfs/dbraw/zinc/01/81/36/352018136.db2.gz BQICROOWFXYRBM-NSHDSACASA-N 1 1 254.334 -0.388 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1N1CCOCC1 ZINC000177256848 352073222 /nfs/dbraw/zinc/07/32/22/352073222.db2.gz GZCJWKFIFJRXIB-AAEUAGOBSA-N 1 1 267.373 -0.083 10 0 CBAEMO O=C(NCCN1C(=O)CCC1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000172228433 352023652 /nfs/dbraw/zinc/02/36/52/352023652.db2.gz OGFGXGYFQAODFN-NSHDSACASA-N 1 1 294.355 -0.375 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000172459348 352026608 /nfs/dbraw/zinc/02/66/08/352026608.db2.gz KBWAOCLAHFXFDS-LLVKDONJSA-N 1 1 279.406 -0.117 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000172459348 352026613 /nfs/dbraw/zinc/02/66/13/352026613.db2.gz KBWAOCLAHFXFDS-LLVKDONJSA-N 1 1 279.406 -0.117 10 0 CBAEMO CS(=O)(=O)NCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172802531 352030963 /nfs/dbraw/zinc/03/09/63/352030963.db2.gz OZSXHDNOIRNMBZ-LLVKDONJSA-N 1 1 261.391 -0.294 10 0 CBAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)COC)C1 ZINC000186311193 352126449 /nfs/dbraw/zinc/12/64/49/352126449.db2.gz RLDGUSAKYFEGCG-GFCCVEGCSA-N 1 1 283.372 -0.166 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179342419 352089171 /nfs/dbraw/zinc/08/91/71/352089171.db2.gz XPYOOGOFFQIZEU-LLVKDONJSA-N 1 1 269.345 -0.602 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000180731775 352096639 /nfs/dbraw/zinc/09/66/39/352096639.db2.gz XHPOQYXDMNOIOM-NEPJUHHUSA-N 1 1 254.334 -0.003 10 0 CBAEMO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184744135 352113316 /nfs/dbraw/zinc/11/33/16/352113316.db2.gz WUIKEHYFGHMMKM-IJLUTSLNSA-N 1 1 256.346 -0.185 10 0 CBAEMO OC[C@H]1C[C@H](O)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000185158703 352116352 /nfs/dbraw/zinc/11/63/52/352116352.db2.gz IGSLXFCWNFJQNK-ILXRZTDVSA-N 1 1 281.352 -0.008 10 0 CBAEMO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000189988647 352176167 /nfs/dbraw/zinc/17/61/67/352176167.db2.gz UASHPLLNOGKSGU-CQSZACIVSA-N 1 1 295.339 -0.389 10 0 CBAEMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000189988647 352176171 /nfs/dbraw/zinc/17/61/71/352176171.db2.gz UASHPLLNOGKSGU-CQSZACIVSA-N 1 1 295.339 -0.389 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000195177622 352222143 /nfs/dbraw/zinc/22/21/43/352222143.db2.gz ZRAUHMACJAOHOO-NWDGAFQWSA-N 1 1 294.417 -0.213 10 0 CBAEMO O=C(CN1CCCS1(=O)=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195333998 352226100 /nfs/dbraw/zinc/22/61/00/352226100.db2.gz XTZFSGLRUVAMET-NSHDSACASA-N 1 1 287.385 -0.672 10 0 CBAEMO NC(=O)NC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506655 352227756 /nfs/dbraw/zinc/22/77/56/352227756.db2.gz YLAOANVNVIYRHA-UHFFFAOYSA-N 1 1 251.290 -0.216 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000224165306 352245807 /nfs/dbraw/zinc/24/58/07/352245807.db2.gz XZQBSNAEUPARBB-GARJFASQSA-N 1 1 269.345 -0.428 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC000248414245 352351468 /nfs/dbraw/zinc/35/14/68/352351468.db2.gz GUTNSUQKTOVMKV-NEPJUHHUSA-N 1 1 280.372 -0.124 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000248567415 352353759 /nfs/dbraw/zinc/35/37/59/352353759.db2.gz FHAVLQAXSIYIKH-UWVGGRQHSA-N 1 1 296.327 -0.473 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000248567415 352353762 /nfs/dbraw/zinc/35/37/62/352353762.db2.gz FHAVLQAXSIYIKH-UWVGGRQHSA-N 1 1 296.327 -0.473 10 0 CBAEMO CC[C@@H]1CN(C[C@@H](O)COC)CC[N@H+]1C[C@H](C)O ZINC000245548740 352322777 /nfs/dbraw/zinc/32/27/77/352322777.db2.gz YIUXKRRDARKJTD-YNEHKIRRSA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@H+](C[C@@H](O)COC)CCN1C[C@H](C)O ZINC000245548740 352322780 /nfs/dbraw/zinc/32/27/80/352322780.db2.gz YIUXKRRDARKJTD-YNEHKIRRSA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCN1C[C@H](C)O ZINC000245548740 352322783 /nfs/dbraw/zinc/32/27/83/352322783.db2.gz YIUXKRRDARKJTD-YNEHKIRRSA-N 1 1 260.378 -0.229 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000245603304 352322837 /nfs/dbraw/zinc/32/28/37/352322837.db2.gz LJMARBCVCQHIFE-QWRGUYRKSA-N 1 1 279.344 -0.723 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@@H]2CCNC2=O)C[C@H]1C ZINC000245674233 352323032 /nfs/dbraw/zinc/32/30/32/352323032.db2.gz GFAJAZKWIICDKJ-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCOCC[N@H+]1CCN([C@@H]2CCNC2=O)C[C@H]1C ZINC000245674233 352323035 /nfs/dbraw/zinc/32/30/35/352323035.db2.gz GFAJAZKWIICDKJ-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000245720401 352323743 /nfs/dbraw/zinc/32/37/43/352323743.db2.gz AOLNECXRMMWPLD-DCAQKATOSA-N 1 1 294.355 -0.330 10 0 CBAEMO C[C@@H](CO)[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000245710933 352324056 /nfs/dbraw/zinc/32/40/56/352324056.db2.gz SQYNGSDUAGNBNL-WDEREUQCSA-N 1 1 292.335 -0.044 10 0 CBAEMO CS(=O)(=O)NCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246211296 352329466 /nfs/dbraw/zinc/32/94/66/352329466.db2.gz OZSXHDNOIRNMBZ-NSHDSACASA-N 1 1 261.391 -0.294 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1N1CCOCC1 ZINC000246364663 352332626 /nfs/dbraw/zinc/33/26/26/352332626.db2.gz GZCJWKFIFJRXIB-DGCLKSJQSA-N 1 1 267.373 -0.083 10 0 CBAEMO C[C@@H]1CN(Cc2ncnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000246464159 352333314 /nfs/dbraw/zinc/33/33/14/352333314.db2.gz NPMFOWHSNQENKR-VXGBXAGGSA-N 1 1 265.361 -0.032 10 0 CBAEMO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246522982 352335026 /nfs/dbraw/zinc/33/50/26/352335026.db2.gz IXDHHGQSUMWPAM-VXGBXAGGSA-N 1 1 284.356 -0.003 10 0 CBAEMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246522970 352335110 /nfs/dbraw/zinc/33/51/10/352335110.db2.gz IXDHHGQSUMWPAM-NWDGAFQWSA-N 1 1 284.356 -0.003 10 0 CBAEMO COCCOCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246701439 352337666 /nfs/dbraw/zinc/33/76/66/352337666.db2.gz MXOCGCYIDWAZHV-LBPRGKRZSA-N 1 1 292.401 -0.241 10 0 CBAEMO C[C@H](CN1CCO[C@@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000246674764 352337735 /nfs/dbraw/zinc/33/77/35/352337735.db2.gz XLKTUOPKEIDHPG-NEPJUHHUSA-N 1 1 278.418 -0.071 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC1=O ZINC000247041397 352342305 /nfs/dbraw/zinc/34/23/05/352342305.db2.gz GPTLVDWBDMMCTP-MNOVXSKESA-N 1 1 266.345 -0.293 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnnn1 ZINC000247077963 352342352 /nfs/dbraw/zinc/34/23/52/352342352.db2.gz ZDBBIGKQYBQFKM-QWRGUYRKSA-N 1 1 264.333 -0.242 10 0 CBAEMO CC[C@@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1C[C@H](C)O ZINC000247088349 352342419 /nfs/dbraw/zinc/34/24/19/352342419.db2.gz HLXYYJLQFPPKMH-VHSXEESVSA-N 1 1 295.391 -0.687 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnnn1 ZINC000247077944 352342993 /nfs/dbraw/zinc/34/29/93/352342993.db2.gz ZDBBIGKQYBQFKM-MNOVXSKESA-N 1 1 264.333 -0.242 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@H]1C ZINC000247381638 352346003 /nfs/dbraw/zinc/34/60/03/352346003.db2.gz VYQSKTPUENQVHQ-OLZOCXBDSA-N 1 1 269.389 -0.004 10 0 CBAEMO CC[C@@H]1CN(CC(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000247393975 352346386 /nfs/dbraw/zinc/34/63/86/352346386.db2.gz XNARNMGKCRZCGW-NWDGAFQWSA-N 1 1 257.378 -0.148 10 0 CBAEMO COCC[N@@H+]1CCN([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000247576570 352347971 /nfs/dbraw/zinc/34/79/71/352347971.db2.gz XRSYEOTUTADEMD-RYUDHWBXSA-N 1 1 255.362 -0.130 10 0 CBAEMO COCC[N@H+]1CCN([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000247576570 352347972 /nfs/dbraw/zinc/34/79/72/352347972.db2.gz XRSYEOTUTADEMD-RYUDHWBXSA-N 1 1 255.362 -0.130 10 0 CBAEMO CCCNC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261907974 352399501 /nfs/dbraw/zinc/39/95/01/352399501.db2.gz IOALFXLGGMOWFE-KOLCDFICSA-N 1 1 257.334 -0.604 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)NC1CCCCC1 ZINC000261891719 352399864 /nfs/dbraw/zinc/39/98/64/352399864.db2.gz GQGXKSPJRVDSTC-MFKMUULPSA-N 1 1 283.372 -0.072 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000251762396 352375215 /nfs/dbraw/zinc/37/52/15/352375215.db2.gz LWWXLFSHTOBYAY-UWVGGRQHSA-N 1 1 264.333 -0.445 10 0 CBAEMO Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CCN(CCO)C3)n1 ZINC000257189666 352385075 /nfs/dbraw/zinc/38/50/75/352385075.db2.gz JPUCNXFTDOQPQB-JSGCOSHPSA-N 1 1 296.371 -0.762 10 0 CBAEMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@H+](CCO)C3)n1 ZINC000257189666 352385077 /nfs/dbraw/zinc/38/50/77/352385077.db2.gz JPUCNXFTDOQPQB-JSGCOSHPSA-N 1 1 296.371 -0.762 10 0 CBAEMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@@H+](CCO)C3)n1 ZINC000257189666 352385079 /nfs/dbraw/zinc/38/50/79/352385079.db2.gz JPUCNXFTDOQPQB-JSGCOSHPSA-N 1 1 296.371 -0.762 10 0 CBAEMO CC[NH+]1CCN(C(=O)[C@H]2Cn3cccc3C(=O)N2)CC1 ZINC000257184853 352385630 /nfs/dbraw/zinc/38/56/30/352385630.db2.gz VKZPLBQSKNGKLA-LLVKDONJSA-N 1 1 276.340 -0.236 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 ZINC000261559625 352387978 /nfs/dbraw/zinc/38/79/78/352387978.db2.gz DVBLPYAXRHQMAC-IVZWLZJFSA-N 1 1 252.318 -0.793 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 ZINC000261559627 352388346 /nfs/dbraw/zinc/38/83/46/352388346.db2.gz DVBLPYAXRHQMAC-LPEHRKFASA-N 1 1 252.318 -0.793 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 ZINC000261572517 352388569 /nfs/dbraw/zinc/38/85/69/352388569.db2.gz LRAYWRCTMJYULE-GARJFASQSA-N 1 1 251.330 -0.196 10 0 CBAEMO C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261864145 352398802 /nfs/dbraw/zinc/39/88/02/352398802.db2.gz CLFWZMMIDJSARM-KKOKHZNYSA-N 1 1 272.345 -0.327 10 0 CBAEMO CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261867517 352398921 /nfs/dbraw/zinc/39/89/21/352398921.db2.gz CVPXGZRJRVPQFW-MMWGEVLESA-N 1 1 271.361 -0.217 10 0 CBAEMO CCOCC[NH+]1CCN(Cc2noc(CN)n2)CC1 ZINC000262149987 352408540 /nfs/dbraw/zinc/40/85/40/352408540.db2.gz FXNAJOVVMSXQQW-UHFFFAOYSA-N 1 1 269.349 -0.318 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262205994 352410068 /nfs/dbraw/zinc/41/00/68/352410068.db2.gz IMMRWXJQHFCREM-UTUOFQBUSA-N 1 1 255.362 -0.036 10 0 CBAEMO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)COC)C1 ZINC000262228670 352411105 /nfs/dbraw/zinc/41/11/05/352411105.db2.gz GNICPVNKTMYVQU-OLZOCXBDSA-N 1 1 287.404 -0.081 10 0 CBAEMO COC[C@H](N)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262281555 352413147 /nfs/dbraw/zinc/41/31/47/352413147.db2.gz LWBKPHARYJWEEP-ZDUSSCGKSA-N 1 1 285.388 -0.469 10 0 CBAEMO COC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000262282506 352413240 /nfs/dbraw/zinc/41/32/40/352413240.db2.gz LYBIKNCXDMOHMI-MWLCHTKSSA-N 1 1 261.391 -0.486 10 0 CBAEMO COC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000262282500 352413450 /nfs/dbraw/zinc/41/34/50/352413450.db2.gz LYBIKNCXDMOHMI-GXSJLCMTSA-N 1 1 261.391 -0.486 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000262288967 352414474 /nfs/dbraw/zinc/41/44/74/352414474.db2.gz MRASGKPPPMSQLR-LLVKDONJSA-N 1 1 286.353 -0.450 10 0 CBAEMO CC(C)c1nncn1CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262334715 352416115 /nfs/dbraw/zinc/41/61/15/352416115.db2.gz SPGIZYKANWGOFI-MNOVXSKESA-N 1 1 281.360 -0.105 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C(N)=O)nc1 ZINC000262355013 352418476 /nfs/dbraw/zinc/41/84/76/352418476.db2.gz URLLDDTWNUPULQ-KCJUWKMLSA-N 1 1 278.312 -0.826 10 0 CBAEMO C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000262383659 352419545 /nfs/dbraw/zinc/41/95/45/352419545.db2.gz XFPMMXMTLPDMQX-RVMXOQNASA-N 1 1 285.388 -0.411 10 0 CBAEMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262392829 352420611 /nfs/dbraw/zinc/42/06/11/352420611.db2.gz XZYPVJYVZPYASG-UTUOFQBUSA-N 1 1 271.361 -0.800 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000262583151 352427183 /nfs/dbraw/zinc/42/71/83/352427183.db2.gz UVQUOUAXKDEBGR-SCZZXKLOSA-N 1 1 278.374 -0.616 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000263241281 352439750 /nfs/dbraw/zinc/43/97/50/352439750.db2.gz LFLMZNOBRKFUKA-NWDGAFQWSA-N 1 1 273.377 -0.567 10 0 CBAEMO CC(C)C(=O)N1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261961558 352401680 /nfs/dbraw/zinc/40/16/80/352401680.db2.gz PPTNXAPPWMWIEQ-NEPJUHHUSA-N 1 1 283.372 -0.310 10 0 CBAEMO CN(C)c1cc[nH+]c(NC[C@@H](O)CN2CCOCC2)n1 ZINC000301730448 352737907 /nfs/dbraw/zinc/73/79/07/352737907.db2.gz OSBICBOXTLAMAX-LLVKDONJSA-N 1 1 281.360 -0.352 10 0 CBAEMO O=C1CN[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000306198106 352752180 /nfs/dbraw/zinc/75/21/80/352752180.db2.gz VFNCYEMBWMNFDR-AWEZNQCLSA-N 1 1 259.309 -0.123 10 0 CBAEMO CCOC(=O)COCC[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000310724730 352760942 /nfs/dbraw/zinc/76/09/42/352760942.db2.gz BRASZTGKUGZDAP-MNOVXSKESA-N 1 1 261.318 -0.352 10 0 CBAEMO CN(C)[C@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000310805410 352761695 /nfs/dbraw/zinc/76/16/95/352761695.db2.gz BFGZDLWXUKGHFJ-STQMWFEESA-N 1 1 257.378 -0.685 10 0 CBAEMO CN(C)[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000310805410 352761696 /nfs/dbraw/zinc/76/16/96/352761696.db2.gz BFGZDLWXUKGHFJ-STQMWFEESA-N 1 1 257.378 -0.685 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000310766299 352762191 /nfs/dbraw/zinc/76/21/91/352762191.db2.gz NVRRSJOVYNHPRP-GARJFASQSA-N 1 1 261.318 -0.618 10 0 CBAEMO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311054792 352764924 /nfs/dbraw/zinc/76/49/24/352764924.db2.gz VPJULKQWVOFKAA-BXKDBHETSA-N 1 1 256.302 -0.750 10 0 CBAEMO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311054792 352764928 /nfs/dbraw/zinc/76/49/28/352764928.db2.gz VPJULKQWVOFKAA-BXKDBHETSA-N 1 1 256.302 -0.750 10 0 CBAEMO CN(C[C@@H](O)CN1CCOCC1)C[C@H]1CC[N@H+](C)C1 ZINC000311253969 352767204 /nfs/dbraw/zinc/76/72/04/352767204.db2.gz GKTFAOWCDLUJCV-UONOGXRCSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@@H](O)CN1CCOCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000311253969 352767207 /nfs/dbraw/zinc/76/72/07/352767207.db2.gz GKTFAOWCDLUJCV-UONOGXRCSA-N 1 1 271.405 -0.437 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000311630104 352769112 /nfs/dbraw/zinc/76/91/12/352769112.db2.gz JAIUWPRDHVVYJC-WUHRBBMRSA-N 1 1 277.361 -0.520 10 0 CBAEMO Cn1cncc1CCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000314466357 352779984 /nfs/dbraw/zinc/77/99/84/352779984.db2.gz ZDDMXFUXCPZJAC-CYBMUJFWSA-N 1 1 266.345 -0.335 10 0 CBAEMO OCC[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000336734621 353050435 /nfs/dbraw/zinc/05/04/35/353050435.db2.gz WGEJMJBNAZGZRC-STQMWFEESA-N 1 1 258.362 -0.616 10 0 CBAEMO OCC[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000336734617 353050449 /nfs/dbraw/zinc/05/04/49/353050449.db2.gz WGEJMJBNAZGZRC-CHWSQXEVSA-N 1 1 258.362 -0.616 10 0 CBAEMO CC(C)n1ccnc1C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336787477 353052469 /nfs/dbraw/zinc/05/24/69/353052469.db2.gz FCAOFYLWTGEVLS-GFCCVEGCSA-N 1 1 252.318 -0.114 10 0 CBAEMO CC(C)n1ccnc1C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336787477 353052471 /nfs/dbraw/zinc/05/24/71/353052471.db2.gz FCAOFYLWTGEVLS-GFCCVEGCSA-N 1 1 252.318 -0.114 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152573305 188029780 /nfs/dbraw/zinc/02/97/80/188029780.db2.gz KLNIGGSGTAMJDR-LLVKDONJSA-N 1 1 278.312 -0.010 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152573305 188029781 /nfs/dbraw/zinc/02/97/81/188029781.db2.gz KLNIGGSGTAMJDR-LLVKDONJSA-N 1 1 278.312 -0.010 10 0 CBAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375495668 353761815 /nfs/dbraw/zinc/76/18/15/353761815.db2.gz ACFLJJCATYLIKC-BXUZGUMPSA-N 1 1 283.372 -0.300 10 0 CBAEMO C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1O ZINC000380673944 353783303 /nfs/dbraw/zinc/78/33/03/353783303.db2.gz CJPFRTQVDYRKKB-UWVGGRQHSA-N 1 1 250.364 -0.420 10 0 CBAEMO COC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404047205 353805638 /nfs/dbraw/zinc/80/56/38/353805638.db2.gz JFAQSNFRCYGHPN-AXFHLTTASA-N 1 1 278.374 -0.586 10 0 CBAEMO CCOCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404204311 353806543 /nfs/dbraw/zinc/80/65/43/353806543.db2.gz ROIDTZOFVWAYOF-WDEREUQCSA-N 1 1 278.374 -0.585 10 0 CBAEMO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000593911850 355229010 /nfs/dbraw/zinc/22/90/10/355229010.db2.gz OCDGBYNBZPQCNJ-NXEZZACHSA-N 1 1 256.302 -0.614 10 0 CBAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Cn3cnnn3)CC2)CCO1 ZINC000329016319 202155428 /nfs/dbraw/zinc/15/54/28/202155428.db2.gz KDQZSTDPBBOTGS-NSHDSACASA-N 1 1 294.359 -0.615 10 0 CBAEMO Cn1cc(N2CCC[C@H]([NH2+]C3COC3)C2=O)cn1 ZINC000329022930 202158323 /nfs/dbraw/zinc/15/83/23/202158323.db2.gz MSTBCYYWNKSLDN-NSHDSACASA-N 1 1 250.302 -0.096 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCNCC2=O)C1 ZINC000638079145 357412734 /nfs/dbraw/zinc/41/27/34/357412734.db2.gz BDOJLCKRYFHUFB-NWDGAFQWSA-N 1 1 282.388 -0.593 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638535088 357493496 /nfs/dbraw/zinc/49/34/96/357493496.db2.gz BASKNRUMDHWGTR-VGMNWLOBSA-N 1 1 257.359 -0.314 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938608 357619072 /nfs/dbraw/zinc/61/90/72/357619072.db2.gz FGYOVMFMQACSGC-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938608 357619074 /nfs/dbraw/zinc/61/90/74/357619074.db2.gz FGYOVMFMQACSGC-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938608 357619077 /nfs/dbraw/zinc/61/90/77/357619077.db2.gz FGYOVMFMQACSGC-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO Cc1nn(C)c(C)c1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C(C)C ZINC000643551634 357788172 /nfs/dbraw/zinc/78/81/72/357788172.db2.gz BSLPLGGBXMWUSD-BARDWOONSA-N 1 1 297.399 -0.040 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177237990 283356911 /nfs/dbraw/zinc/35/69/11/283356911.db2.gz SNTZWTBXCHZSIY-QWRGUYRKSA-N 1 1 284.360 -0.906 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000367483070 283362044 /nfs/dbraw/zinc/36/20/44/283362044.db2.gz KHOWVUFCBHHLQH-ZDUSSCGKSA-N 1 1 269.345 -0.689 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000262135060 291209773 /nfs/dbraw/zinc/20/97/73/291209773.db2.gz GTNHIZCYVDJJKY-WOPDTQHZSA-N 1 1 253.346 -0.330 10 0 CBAEMO Cn1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000177691281 189064018 /nfs/dbraw/zinc/06/40/18/189064018.db2.gz NKCCUHBZXLJZSO-SNVBAGLBSA-N 1 1 277.328 -0.335 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000182086432 189314102 /nfs/dbraw/zinc/31/41/02/189314102.db2.gz NKSATWDRIVEHSW-NXEZZACHSA-N 1 1 282.348 -0.266 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000182086432 189314103 /nfs/dbraw/zinc/31/41/03/189314103.db2.gz NKSATWDRIVEHSW-NXEZZACHSA-N 1 1 282.348 -0.266 10 0 CBAEMO c1nc2c(ncnc2NC[C@H]2CN3CCN2CC3)[nH]1 ZINC000301752578 201175554 /nfs/dbraw/zinc/17/55/54/201175554.db2.gz BNWRLLWAAJEDJM-VIFPVBQESA-N 1 1 259.317 -0.235 10 0 CBAEMO c1nc2ncnc(NC[C@H]3C[NH+]4CCN3CC4)c2[nH]1 ZINC000301752578 201175556 /nfs/dbraw/zinc/17/55/56/201175556.db2.gz BNWRLLWAAJEDJM-VIFPVBQESA-N 1 1 259.317 -0.235 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)Cc2cnnn2C)[N@@H+](C)C1 ZINC000344453818 217195438 /nfs/dbraw/zinc/19/54/38/217195438.db2.gz MFBOONKITPCRHI-JQWIXIFHSA-N 1 1 253.350 -0.034 10 0 CBAEMO CNC(=O)NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113267811 372789343 /nfs/dbraw/zinc/78/93/43/372789343.db2.gz QTNSNMRDFAJZNV-NXEZZACHSA-N 1 1 254.334 -0.390 10 0 CBAEMO NS(=O)(=O)C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749238 372907247 /nfs/dbraw/zinc/90/72/47/372907247.db2.gz CBYSGLMJILUOIL-NEPJUHHUSA-N 1 1 275.418 -0.014 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344730789 217290928 /nfs/dbraw/zinc/29/09/28/217290928.db2.gz UWTALRBRLGAVSP-WDEREUQCSA-N 1 1 260.334 -0.779 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000344730789 217290929 /nfs/dbraw/zinc/29/09/29/217290929.db2.gz UWTALRBRLGAVSP-WDEREUQCSA-N 1 1 260.334 -0.779 10 0 CBAEMO C[N@@H+](C[C@@H](O)CN1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000336836076 373024465 /nfs/dbraw/zinc/02/44/65/373024465.db2.gz KLXXUSAZIRZFFP-HUUCEWRRSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000336836076 373024473 /nfs/dbraw/zinc/02/44/73/373024473.db2.gz KLXXUSAZIRZFFP-HUUCEWRRSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000336836076 373024481 /nfs/dbraw/zinc/02/44/81/373024481.db2.gz KLXXUSAZIRZFFP-HUUCEWRRSA-N 1 1 283.416 -0.152 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902887 217352563 /nfs/dbraw/zinc/35/25/63/217352563.db2.gz XEMRQCCOLADUFT-NXEZZACHSA-N 1 1 271.317 -0.944 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902887 217352566 /nfs/dbraw/zinc/35/25/66/217352566.db2.gz XEMRQCCOLADUFT-NXEZZACHSA-N 1 1 271.317 -0.944 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000344891908 217348367 /nfs/dbraw/zinc/34/83/67/217348367.db2.gz BTZVCXJRPKVDCQ-HBNTYKKESA-N 1 1 265.375 -0.251 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000344891908 217348370 /nfs/dbraw/zinc/34/83/70/217348370.db2.gz BTZVCXJRPKVDCQ-HBNTYKKESA-N 1 1 265.375 -0.251 10 0 CBAEMO COC[C@]1(C(=O)N[C@H](C)c2nnc[nH]2)CCC[NH2+]1 ZINC000643783014 374418472 /nfs/dbraw/zinc/41/84/72/374418472.db2.gz CWAPYPUSYHZDEM-KCJUWKMLSA-N 1 1 253.306 -0.250 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000647041560 374872429 /nfs/dbraw/zinc/87/24/29/374872429.db2.gz POUXKKIJOFTRIS-KWQFWETISA-N 1 1 264.329 -0.401 10 0 CBAEMO C[NH2+][C@@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1)c1cnn(C)c1 ZINC000262016673 190046770 /nfs/dbraw/zinc/04/67/70/190046770.db2.gz CLWBZRHWGBXEEZ-WCQYABFASA-N 1 1 293.371 -0.194 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CCNS(C)(=O)=O ZINC000175342922 285274015 /nfs/dbraw/zinc/27/40/15/285274015.db2.gz VUUNANDOIMMEOE-NSHDSACASA-N 1 1 263.407 -0.048 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)[N@@H+](C)C1 ZINC000329070720 286084853 /nfs/dbraw/zinc/08/48/53/286084853.db2.gz YPOVLLGKEILQOB-IEECTRCBSA-N 1 1 268.357 -0.065 10 0 CBAEMO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000345052954 286087568 /nfs/dbraw/zinc/08/75/68/286087568.db2.gz ARUKXIVJPVFQIL-UWVGGRQHSA-N 1 1 257.334 -0.572 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037622858 411624348 /nfs/dbraw/zinc/62/43/48/411624348.db2.gz WXHPURVXGHBWIY-SECBINFHSA-N 1 1 279.296 -0.011 10 0 CBAEMO C[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000037629075 411624538 /nfs/dbraw/zinc/62/45/38/411624538.db2.gz GLBOFIQHTCZZTO-SCZZXKLOSA-N 1 1 293.323 -0.162 10 0 CBAEMO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1 ZINC000020950915 171282051 /nfs/dbraw/zinc/28/20/51/171282051.db2.gz ILEZPQHXLVJTNZ-JTQLQIEISA-N 1 1 269.345 -0.833 10 0 CBAEMO CN(C)c1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000037626504 173576744 /nfs/dbraw/zinc/57/67/44/173576744.db2.gz ALPSNPJKDNARGY-SNVBAGLBSA-N 1 1 250.302 -0.106 10 0 CBAEMO NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037820846 173773477 /nfs/dbraw/zinc/77/34/77/173773477.db2.gz UMUJMLZBJVRRHT-IUCAKERBSA-N 1 1 272.374 -0.444 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038030880 174023904 /nfs/dbraw/zinc/02/39/04/174023904.db2.gz DYPYIEJRCIKJCZ-PBWFPOADSA-N 1 1 280.416 -0.025 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038030880 174023907 /nfs/dbraw/zinc/02/39/07/174023907.db2.gz DYPYIEJRCIKJCZ-PBWFPOADSA-N 1 1 280.416 -0.025 10 0 CBAEMO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000038037950 174038345 /nfs/dbraw/zinc/03/83/45/174038345.db2.gz NEQYFNQGISAUCI-SSDOTTSWSA-N 1 1 251.290 -0.281 10 0 CBAEMO Nc1cc(N)nc(SCC(=O)N2CC[NH2+]CC2)n1 ZINC000044419734 175173840 /nfs/dbraw/zinc/17/38/40/175173840.db2.gz NJWCCQLZCRDYMP-UHFFFAOYSA-N 1 1 268.346 -0.835 10 0 CBAEMO C[C@@H](C(=O)N1CCNCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189212 176064599 /nfs/dbraw/zinc/06/45/99/176064599.db2.gz RLVUGTTWGKFRFY-QWHCGFSZSA-N 1 1 268.405 -0.310 10 0 CBAEMO C[C@@H](C(=O)N1CCNCC1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189212 176064600 /nfs/dbraw/zinc/06/46/00/176064600.db2.gz RLVUGTTWGKFRFY-QWHCGFSZSA-N 1 1 268.405 -0.310 10 0 CBAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](CCOC)CCC(N)=S ZINC000071226120 176089491 /nfs/dbraw/zinc/08/94/91/176089491.db2.gz MJWGCPJSVNBIMA-MRVPVSSYSA-N 1 1 290.389 -0.545 10 0 CBAEMO C[N@H+](CCN[C@@H]1CS(=O)(=O)C[C@@H]1O)C1CCCC1 ZINC000071377235 176141864 /nfs/dbraw/zinc/14/18/64/176141864.db2.gz MUUYADQHCUSWCL-NEPJUHHUSA-N 1 1 276.402 -0.392 10 0 CBAEMO C[N@@H+](CCN[C@@H]1CS(=O)(=O)C[C@@H]1O)C1CCCC1 ZINC000071377235 176141865 /nfs/dbraw/zinc/14/18/65/176141865.db2.gz MUUYADQHCUSWCL-NEPJUHHUSA-N 1 1 276.402 -0.392 10 0 CBAEMO COC(=O)[C@@H]([NH3+])Cn1cc(I)cn1 ZINC000070678510 544423025 /nfs/dbraw/zinc/42/30/25/544423025.db2.gz JSMBUKOIJJMORC-LURJTMIESA-N 1 1 295.080 -0.012 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000088370364 544433511 /nfs/dbraw/zinc/43/35/11/544433511.db2.gz MLIRNAIGFHLXNV-OLZOCXBDSA-N 1 1 283.372 -0.702 10 0 CBAEMO CN1CCO[C@H](C[N@@H+](C)CC2(O)CCOCC2)C1 ZINC000123180252 544452072 /nfs/dbraw/zinc/45/20/72/544452072.db2.gz UOYFCZYNFUEVLZ-LBPRGKRZSA-N 1 1 258.362 -0.210 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000182023455 544482726 /nfs/dbraw/zinc/48/27/26/544482726.db2.gz SVFCFMHYJDOFFJ-SCRDCRAPSA-N 1 1 297.399 -0.089 10 0 CBAEMO CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000182023455 544482730 /nfs/dbraw/zinc/48/27/30/544482730.db2.gz SVFCFMHYJDOFFJ-SCRDCRAPSA-N 1 1 297.399 -0.089 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000247522644 544511679 /nfs/dbraw/zinc/51/16/79/544511679.db2.gz ZEXLMPCETIZKFF-VWYCJHECSA-N 1 1 296.371 -0.181 10 0 CBAEMO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(-n2cncn2)cc1 ZINC000262078675 544517405 /nfs/dbraw/zinc/51/74/05/544517405.db2.gz DUGYRHVDFJWGHS-GXTWGEPZSA-N 1 1 273.340 -0.063 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1[nH]nc2c1CCC2 ZINC000262107089 544517466 /nfs/dbraw/zinc/51/74/66/544517466.db2.gz FDJXIZNTQUJIIQ-GMSGAONNSA-N 1 1 250.302 -0.792 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1[nH]nc2c1CCC2 ZINC000262107096 544517912 /nfs/dbraw/zinc/51/79/12/544517912.db2.gz FDJXIZNTQUJIIQ-XCBNKYQSSA-N 1 1 250.302 -0.792 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1n[nH]c2ccccc21 ZINC000262369824 544521853 /nfs/dbraw/zinc/52/18/53/544521853.db2.gz VZXDJQBUPMSTOI-GZMMTYOYSA-N 1 1 260.297 -0.127 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000328116489 544530439 /nfs/dbraw/zinc/53/04/39/544530439.db2.gz KCGMDNYCOUVMHD-PWSUYJOCSA-N 1 1 269.345 -0.556 10 0 CBAEMO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037799495 419413790 /nfs/dbraw/zinc/41/37/90/419413790.db2.gz MQZLBFNNYZUBCA-JTQLQIEISA-N 1 1 293.323 -0.381 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000660756990 419434664 /nfs/dbraw/zinc/43/46/64/419434664.db2.gz BTWJLERIVXXBQP-XWLWVQCSSA-N 1 1 263.359 -0.499 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000660756990 419434672 /nfs/dbraw/zinc/43/46/72/419434672.db2.gz BTWJLERIVXXBQP-XWLWVQCSSA-N 1 1 263.359 -0.499 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)NCC(=O)NCC1CC1 ZINC000187407526 419520265 /nfs/dbraw/zinc/52/02/65/419520265.db2.gz LOSFQHVGAGGQSW-UHFFFAOYSA-N 1 1 286.376 -0.874 10 0 CBAEMO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394389529 544581308 /nfs/dbraw/zinc/58/13/08/544581308.db2.gz RXUHDJJUNFUHNP-YNEHKIRRSA-N 1 1 268.405 -0.134 10 0 CBAEMO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394389330 544581626 /nfs/dbraw/zinc/58/16/26/544581626.db2.gz QKAAYIFKSQHHEF-QWHCGFSZSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@@H]1C[NH+](CCN2CCO[C@@H](CO)C2)C[C@@H](C)O1 ZINC000314561632 419624260 /nfs/dbraw/zinc/62/42/60/419624260.db2.gz KJRJMOBMKGMTGK-JHJVBQTASA-N 1 1 258.362 -0.211 10 0 CBAEMO C[C@]1(C(=O)NC[C@@H]2CN3CCN2CCC3)CCC[NH2+]1 ZINC000394379096 544579385 /nfs/dbraw/zinc/57/93/85/544579385.db2.gz BPGQNAMHLFYXQZ-TZMCWYRMSA-N 1 1 266.389 -0.365 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)CC(N)=O)C1 ZINC000662854686 419751013 /nfs/dbraw/zinc/75/10/13/419751013.db2.gz UCOQFPQHSWYGHH-DTWKUNHWSA-N 1 1 256.350 -0.822 10 0 CBAEMO CCN(CCC(F)(F)F)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000648049369 419716977 /nfs/dbraw/zinc/71/69/77/419716977.db2.gz OYKDPFVKVPSSIG-LURJTMIESA-N 1 1 255.240 -0.010 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000648088432 419724623 /nfs/dbraw/zinc/72/46/23/419724623.db2.gz HWCRGPMSCBXSPO-SFYZADRCSA-N 1 1 268.235 -0.236 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@](C)(C(F)F)O1 ZINC000663004559 419808311 /nfs/dbraw/zinc/80/83/11/419808311.db2.gz MXWAPXTYBIINEP-PTZCXBDSSA-N 1 1 279.287 -0.540 10 0 CBAEMO C[C@@]1(C(F)F)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCO1 ZINC000663007405 419810344 /nfs/dbraw/zinc/81/03/44/419810344.db2.gz HEBXZABYOVFYOM-WKEGUHRASA-N 1 1 265.260 -0.928 10 0 CBAEMO C[C@]1(C(F)F)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000663007403 419810675 /nfs/dbraw/zinc/81/06/75/419810675.db2.gz HEBXZABYOVFYOM-LHLIQPBNSA-N 1 1 265.260 -0.928 10 0 CBAEMO O=C([C@H]1C[NH2+]CCOC1)N1CCN2CCCC[C@H]2C1 ZINC000649311539 419876319 /nfs/dbraw/zinc/87/63/19/419876319.db2.gz YHEHVYOSCYSNKW-STQMWFEESA-N 1 1 267.373 -0.081 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000664268450 419894570 /nfs/dbraw/zinc/89/45/70/419894570.db2.gz JGZWZHLNUUVBHP-RKDXNWHRSA-N 1 1 286.357 -0.234 10 0 CBAEMO COC[C@@]1(C(=O)NCCN2CCN(C)CC2)CCC[NH2+]1 ZINC000649350123 419898307 /nfs/dbraw/zinc/89/83/07/419898307.db2.gz GDNZBTUCEJMSKT-CQSZACIVSA-N 1 1 284.404 -0.881 10 0 CBAEMO Cc1cnn(CC[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000671553237 544820910 /nfs/dbraw/zinc/82/09/10/544820910.db2.gz MDAHFSIVGVVYHB-ZDUSSCGKSA-N 1 1 276.344 -0.080 10 0 CBAEMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000366947882 420099490 /nfs/dbraw/zinc/09/94/90/420099490.db2.gz VHCSPQBUVAOSLY-GXFFZTMASA-N 1 1 271.361 -0.446 10 0 CBAEMO O=C(NCc1c[nH]nn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653080873 420112814 /nfs/dbraw/zinc/11/28/14/420112814.db2.gz XDEAPKDAVWOEHE-RNFRBKRXSA-N 1 1 263.223 -0.181 10 0 CBAEMO CC(C)N1CCC[C@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000368495412 420134995 /nfs/dbraw/zinc/13/49/95/420134995.db2.gz JRGVHCASVPZYLP-SMDDNHRTSA-N 1 1 283.372 -0.302 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398871606 420217024 /nfs/dbraw/zinc/21/70/24/420217024.db2.gz VCENPYBQHOGRNG-KATARQTJSA-N 1 1 255.318 -0.337 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@@H+](C)CC1CC(O)C1 ZINC000393840313 420210120 /nfs/dbraw/zinc/21/01/20/420210120.db2.gz XIBSPFBFLGPBDH-UHFFFAOYSA-N 1 1 250.364 -0.420 10 0 CBAEMO c1nc2c(ncnc2N2CC[C@@H]3OCC[NH2+][C@@H]3C2)[nH]1 ZINC000404226321 420223504 /nfs/dbraw/zinc/22/35/04/420223504.db2.gz NPDPKXQZPCBYPD-BDAKNGLRSA-N 1 1 260.301 -0.080 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000286045708 230210293 /nfs/dbraw/zinc/21/02/93/230210293.db2.gz FCZXEQZTCMDQME-OAHLLOKOSA-N 1 1 291.351 -0.385 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000286045708 230210298 /nfs/dbraw/zinc/21/02/98/230210298.db2.gz FCZXEQZTCMDQME-OAHLLOKOSA-N 1 1 291.351 -0.385 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000683658783 545066652 /nfs/dbraw/zinc/06/66/52/545066652.db2.gz HNMIWVVJEIIGIA-BFHYXJOUSA-N 1 1 290.404 -0.339 10 0 CBAEMO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000681951368 545052231 /nfs/dbraw/zinc/05/22/31/545052231.db2.gz OGCOWBDEIALPTL-NSHDSACASA-N 1 1 279.406 -0.429 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CCC(=O)NC(N)=O ZINC000106379374 276182709 /nfs/dbraw/zinc/18/27/09/276182709.db2.gz HOBIQNPEJICTEV-JTQLQIEISA-N 1 1 256.350 -0.013 10 0 CBAEMO CCN1CCC[C@H]1C[N@H+](C)CCC(=O)NC(N)=O ZINC000106379374 276182711 /nfs/dbraw/zinc/18/27/11/276182711.db2.gz HOBIQNPEJICTEV-JTQLQIEISA-N 1 1 256.350 -0.013 10 0 CBAEMO CCN1CCC[C@H]1C[N@@H+](C)CCC(=O)NC(N)=O ZINC000106379374 276182713 /nfs/dbraw/zinc/18/27/13/276182713.db2.gz HOBIQNPEJICTEV-JTQLQIEISA-N 1 1 256.350 -0.013 10 0 CBAEMO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CN(C)CCO1 ZINC000685563345 545082162 /nfs/dbraw/zinc/08/21/62/545082162.db2.gz VZXZIZGRZLSGCZ-ZIAGYGMSSA-N 1 1 271.405 -0.296 10 0 CBAEMO C[C@@H]1OCCN[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258690 545083597 /nfs/dbraw/zinc/08/35/97/545083597.db2.gz XIFYFOCLGUHDGA-ONGXEEELSA-N 1 1 251.334 -0.184 10 0 CBAEMO N[C@@]1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258098 545083600 /nfs/dbraw/zinc/08/36/00/545083600.db2.gz GMKUPEFCLXVFQU-NSHDSACASA-N 1 1 251.290 -0.916 10 0 CBAEMO CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173859165 277027578 /nfs/dbraw/zinc/02/75/78/277027578.db2.gz PASTUWKMSFYVLB-ZYHUDNBSSA-N 1 1 269.345 -0.698 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261895784 277057519 /nfs/dbraw/zinc/05/75/19/277057519.db2.gz HDPOWMGIEYYDQE-USWWRNFRSA-N 1 1 269.345 -0.510 10 0 CBAEMO COC(=O)CNC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113271495 277062357 /nfs/dbraw/zinc/06/23/57/277062357.db2.gz JCGHOZXHLNDUGE-VXGBXAGGSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCCN3)CC[C@H]21 ZINC000227333672 277067006 /nfs/dbraw/zinc/06/70/06/277067006.db2.gz VXHZLTIHUBVZIS-FRRDWIJNSA-N 1 1 267.373 -0.083 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000245453356 277117958 /nfs/dbraw/zinc/11/79/58/277117958.db2.gz FMVHPCCQXKIOIP-NWDGAFQWSA-N 1 1 253.346 -0.376 10 0 CBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173329718 277118347 /nfs/dbraw/zinc/11/83/47/277118347.db2.gz NWALNNMVSCBWDM-QWHCGFSZSA-N 1 1 283.372 -0.750 10 0 CBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173329718 277118349 /nfs/dbraw/zinc/11/83/49/277118349.db2.gz NWALNNMVSCBWDM-QWHCGFSZSA-N 1 1 283.372 -0.750 10 0 CBAEMO CN1CC[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173952657 277135744 /nfs/dbraw/zinc/13/57/44/277135744.db2.gz IDGWMODFIHGFBM-NWDGAFQWSA-N 1 1 253.346 -0.376 10 0 CBAEMO C[N@H+]1CC[C@@](O)(CNC(=O)N2CCSCC2)C1 ZINC000335941645 277158412 /nfs/dbraw/zinc/15/84/12/277158412.db2.gz XMNXSGOEDOFTKS-LLVKDONJSA-N 1 1 259.375 -0.189 10 0 CBAEMO CCCN(C(=O)[C@H]([NH3+])COC)[C@H]1CCS(=O)(=O)C1 ZINC000262006663 278747773 /nfs/dbraw/zinc/74/77/73/278747773.db2.gz BONMJDKPQLYECG-VHSXEESVSA-N 1 1 278.374 -0.614 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccn(C)c1=O ZINC000262099917 280059574 /nfs/dbraw/zinc/05/95/74/280059574.db2.gz DPAJPLCUZPWEAM-SCZZXKLOSA-N 1 1 251.286 -0.299 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162132644 290035529 /nfs/dbraw/zinc/03/55/29/290035529.db2.gz BKPAWZLPUASSOI-NWDGAFQWSA-N 1 1 254.378 -0.652 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCS(N)(=O)=O ZINC000247494245 297100393 /nfs/dbraw/zinc/10/03/93/297100393.db2.gz UMBTXMPURSWOEV-MNOVXSKESA-N 1 1 261.391 -0.167 10 0 CBAEMO NC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328948508 303223701 /nfs/dbraw/zinc/22/37/01/303223701.db2.gz WFIYFKXOIUFVQW-PSASIEDQSA-N 1 1 252.318 -0.094 10 0 CBAEMO NC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328948508 303223702 /nfs/dbraw/zinc/22/37/02/303223702.db2.gz WFIYFKXOIUFVQW-PSASIEDQSA-N 1 1 252.318 -0.094 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000395193797 329279157 /nfs/dbraw/zinc/27/91/57/329279157.db2.gz XKOZCKUIICTLHY-AGIUHOORSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1C ZINC000395193797 329279158 /nfs/dbraw/zinc/27/91/58/329279158.db2.gz XKOZCKUIICTLHY-AGIUHOORSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1C ZINC000395193797 329279160 /nfs/dbraw/zinc/27/91/60/329279160.db2.gz XKOZCKUIICTLHY-AGIUHOORSA-N 1 1 260.378 -0.229 10 0 CBAEMO COC(=O)[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000579726011 335874394 /nfs/dbraw/zinc/87/43/94/335874394.db2.gz OCDGBYNBZPQCNJ-VHSXEESVSA-N 1 1 256.302 -0.614 10 0 CBAEMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000382836046 336098054 /nfs/dbraw/zinc/09/80/54/336098054.db2.gz OLTYLUYJBSTPBI-GHMZBOCLSA-N 1 1 263.407 -0.145 10 0 CBAEMO C[NH2+]CCS(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000049630417 522014111 /nfs/dbraw/zinc/01/41/11/522014111.db2.gz QXSRGQUHQNGNHN-LLVKDONJSA-N 1 1 263.407 0.000 10 0 CBAEMO CC(C)[NH2+]CCC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145215 519720148 /nfs/dbraw/zinc/72/01/48/519720148.db2.gz RPDYMRLRFOGIIW-UHFFFAOYSA-N 1 1 271.361 -0.007 10 0 CBAEMO CC(C)n1ccnc(N2CC[NH+](CCO)CC2)c1=O ZINC000061769121 520020018 /nfs/dbraw/zinc/02/00/18/520020018.db2.gz JZBHGINRLMCJED-UHFFFAOYSA-N 1 1 266.345 -0.062 10 0 CBAEMO CNc1ncc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cn1 ZINC000050669527 522702421 /nfs/dbraw/zinc/70/24/21/522702421.db2.gz FGRAVDLIZHKOJH-VIFPVBQESA-N 1 1 285.373 -0.109 10 0 CBAEMO CNc1ncc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000050669527 522702428 /nfs/dbraw/zinc/70/24/28/522702428.db2.gz FGRAVDLIZHKOJH-VIFPVBQESA-N 1 1 285.373 -0.109 10 0 CBAEMO COCCCNC(=O)CN[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567395 523328833 /nfs/dbraw/zinc/32/88/33/523328833.db2.gz YRCAHUUGAYODEL-NWDGAFQWSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCCNC(=O)CN[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567395 523328837 /nfs/dbraw/zinc/32/88/37/523328837.db2.gz YRCAHUUGAYODEL-NWDGAFQWSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)C(C)(C)C(N)=S ZINC000061381018 523589178 /nfs/dbraw/zinc/58/91/78/523589178.db2.gz XMYGKYCPFFRJDJ-UHFFFAOYSA-N 1 1 261.391 -0.007 10 0 CBAEMO COCC[N@@H+](C)CCNc1ncc(N)cc1C(N)=O ZINC000061377988 523616711 /nfs/dbraw/zinc/61/67/11/523616711.db2.gz AFTVDDJRPREUOL-UHFFFAOYSA-N 1 1 267.333 -0.247 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)c2nc(N)n[nH]2)CC1 ZINC000055168385 523823382 /nfs/dbraw/zinc/82/33/82/523823382.db2.gz GMDYJFCNUQBBSF-UHFFFAOYSA-N 1 1 268.321 -0.819 10 0 CBAEMO CS(=O)(=O)CCCn1nnnc1C[NH2+]C1CC1 ZINC000054747282 525120331 /nfs/dbraw/zinc/12/03/31/525120331.db2.gz QWMTUKBKVRNTLS-UHFFFAOYSA-N 1 1 259.335 -0.640 10 0 CBAEMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC(N)=O ZINC000049565224 525619800 /nfs/dbraw/zinc/61/98/00/525619800.db2.gz RJHULEGSFQODJV-LPEHRKFASA-N 1 1 254.334 -0.214 10 0 CBAEMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)C(=O)NC(N)=O ZINC000049565224 525619804 /nfs/dbraw/zinc/61/98/04/525619804.db2.gz RJHULEGSFQODJV-LPEHRKFASA-N 1 1 254.334 -0.214 10 0 CBAEMO [NH3+]CCCN1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000062775068 527180763 /nfs/dbraw/zinc/18/07/63/527180763.db2.gz YQJQALFFDKUJRX-UHFFFAOYSA-N 1 1 251.334 -0.094 10 0 CBAEMO CCN1C(=O)CN(CN2CC[N@@H+](CCOC)[C@H](C)C2)C1=O ZINC000122301533 582118660 /nfs/dbraw/zinc/11/86/60/582118660.db2.gz RZTWUTXJOLDURC-GFCCVEGCSA-N 1 1 298.387 -0.120 10 0 CBAEMO [NH3+][C@H](Cc1c[nH]cn1)c1nc(N2CCOCC2)no1 ZINC000129063717 582122721 /nfs/dbraw/zinc/12/27/21/582122721.db2.gz LYAYDOGIOYTJJX-SECBINFHSA-N 1 1 264.289 -0.128 10 0 CBAEMO COCC[N@H+]1CCN(Cn2ncn(C)c2=O)C[C@H]1C ZINC000132816991 582124263 /nfs/dbraw/zinc/12/42/63/582124263.db2.gz ZQEJXJCWXAAKLG-LLVKDONJSA-N 1 1 269.349 -0.808 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cn1ncn(C)c1=O ZINC000133397063 582124452 /nfs/dbraw/zinc/12/44/52/582124452.db2.gz NIXQJYMFCWATJP-LLVKDONJSA-N 1 1 253.350 -0.045 10 0 CBAEMO C[N@H+]1CCC[C@]2(CC1)NC[C@@]1(COCCN1)CO2 ZINC000757145382 582305234 /nfs/dbraw/zinc/30/52/34/582305234.db2.gz OTMQEELRQIOLIY-OLZOCXBDSA-N 1 1 255.362 -0.223 10 0 CBAEMO NS(=O)(=O)C[C@@H]1OC(=O)C[C@@]12C[NH+]1CCC2CC1 ZINC000757216184 582305334 /nfs/dbraw/zinc/30/53/34/582305334.db2.gz GWFWCDBCBPJITA-ONGXEEELSA-N 1 1 274.342 -0.698 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000895663001 584683789 /nfs/dbraw/zinc/68/37/89/584683789.db2.gz IEESUUJYJOTJEK-OLZOCXBDSA-N 1 1 299.415 -0.332 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000896993023 584707392 /nfs/dbraw/zinc/70/73/92/584707392.db2.gz MQFJTWVWAFBOIM-RKDXNWHRSA-N 1 1 251.290 -0.961 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000896993023 584707393 /nfs/dbraw/zinc/70/73/93/584707393.db2.gz MQFJTWVWAFBOIM-RKDXNWHRSA-N 1 1 251.290 -0.961 10 0 CBAEMO CNC(=O)NC1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000897683060 584722767 /nfs/dbraw/zinc/72/27/67/584722767.db2.gz HEVQIQMSSBJMGV-SNVBAGLBSA-N 1 1 268.361 -0.001 10 0 CBAEMO Cc1n[nH]nc1NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000898745435 584741390 /nfs/dbraw/zinc/74/13/90/584741390.db2.gz RTHRQFOAEVSPAH-RKDXNWHRSA-N 1 1 251.290 -0.085 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCn2ccnc2C1 ZINC000900665454 584820142 /nfs/dbraw/zinc/82/01/42/584820142.db2.gz LRJFCBHXQNHZAH-ZWNOBZJWSA-N 1 1 264.329 -0.320 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900901565 584832408 /nfs/dbraw/zinc/83/24/08/584832408.db2.gz QDHUNKIECCRWLO-JHJVBQTASA-N 1 1 295.383 -0.071 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900901518 584832425 /nfs/dbraw/zinc/83/24/25/584832425.db2.gz QDHUNKIECCRWLO-FRRDWIJNSA-N 1 1 295.383 -0.071 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)[C@@H](C)O)C[C@@H]1N1CCOCC1 ZINC000929851991 659183287 /nfs/dbraw/zinc/18/32/87/659183287.db2.gz FJHPUKKHRMIWPO-MQYQWHSLSA-N 1 1 272.389 -0.229 10 0 CBAEMO COCCOc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000037630491 656002873 /nfs/dbraw/zinc/00/28/73/656002873.db2.gz KSTRLJIGMKTURU-NSHDSACASA-N 1 1 281.312 -0.147 10 0 CBAEMO Cc1nc2ccccc2n1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000040828769 656006366 /nfs/dbraw/zinc/00/63/66/656006366.db2.gz FZQLYEFECQNULE-JTQLQIEISA-N 1 1 289.339 -0.336 10 0 CBAEMO COc1ccccc1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000083481577 656050817 /nfs/dbraw/zinc/05/08/17/656050817.db2.gz GXHBPDUPVXRSHK-SNVBAGLBSA-N 1 1 265.313 -0.443 10 0 CBAEMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccco1 ZINC000089312193 656053967 /nfs/dbraw/zinc/05/39/67/656053967.db2.gz BQBAFYREROTIMB-BDAKNGLRSA-N 1 1 266.301 -0.320 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996985 656061944 /nfs/dbraw/zinc/06/19/44/656061944.db2.gz CKNWIDYVZVETJI-DTWKUNHWSA-N 1 1 271.317 -0.427 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000094996694 656062007 /nfs/dbraw/zinc/06/20/07/656062007.db2.gz NIZSVYASQRQZES-IUCAKERBSA-N 1 1 269.301 -0.721 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000094996820 656062010 /nfs/dbraw/zinc/06/20/10/656062010.db2.gz RHLITBXJWWPIQC-KOLCDFICSA-N 1 1 295.339 -0.675 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000094996398 656062045 /nfs/dbraw/zinc/06/20/45/656062045.db2.gz QBHPAERQKSRFEB-WPRPVWTQSA-N 1 1 283.328 -0.285 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000159078936 656077593 /nfs/dbraw/zinc/07/75/93/656077593.db2.gz GKVCRNFODRQVGE-GFCCVEGCSA-N 1 1 284.356 -0.191 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000159078936 656077595 /nfs/dbraw/zinc/07/75/95/656077595.db2.gz GKVCRNFODRQVGE-GFCCVEGCSA-N 1 1 284.356 -0.191 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@@H]1C ZINC000171569470 656083816 /nfs/dbraw/zinc/08/38/16/656083816.db2.gz KTTPYLMAXRLUPP-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@@H]1C ZINC000171569470 656083819 /nfs/dbraw/zinc/08/38/19/656083819.db2.gz KTTPYLMAXRLUPP-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO O=C1CCCN1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172959176 656084887 /nfs/dbraw/zinc/08/48/87/656084887.db2.gz RRACQSXVUOZFDV-GFCCVEGCSA-N 1 1 253.346 -0.027 10 0 CBAEMO O=C1CCCN1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172959176 656084890 /nfs/dbraw/zinc/08/48/90/656084890.db2.gz RRACQSXVUOZFDV-GFCCVEGCSA-N 1 1 253.346 -0.027 10 0 CBAEMO S=C1OCCN1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961447 656085152 /nfs/dbraw/zinc/08/51/52/656085152.db2.gz DDDJDLVLJIVLMU-LLVKDONJSA-N 1 1 271.386 -0.033 10 0 CBAEMO S=C1OCCN1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172961447 656085154 /nfs/dbraw/zinc/08/51/54/656085154.db2.gz DDDJDLVLJIVLMU-LLVKDONJSA-N 1 1 271.386 -0.033 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000173954539 656085708 /nfs/dbraw/zinc/08/57/08/656085708.db2.gz FCTKRSLQKDEMJB-KBPBESRZSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000173954539 656085712 /nfs/dbraw/zinc/08/57/12/656085712.db2.gz FCTKRSLQKDEMJB-KBPBESRZSA-N 1 1 297.399 -0.360 10 0 CBAEMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1F)OCC2 ZINC000223848282 656106013 /nfs/dbraw/zinc/10/60/13/656106013.db2.gz UOKIBBVQJZGPJX-UHFFFAOYSA-N 1 1 298.318 -0.133 10 0 CBAEMO CN1C(=O)CN(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000245939679 656118573 /nfs/dbraw/zinc/11/85/73/656118573.db2.gz UQIOMUBLCWHZBJ-JTQLQIEISA-N 1 1 252.318 -0.382 10 0 CBAEMO COCc1nn(CN2CC[N@H+]3CCC[C@H]3C2)c(=O)o1 ZINC000246616637 656119376 /nfs/dbraw/zinc/11/93/76/656119376.db2.gz VHFZOINGLYNJSE-JTQLQIEISA-N 1 1 268.317 -0.280 10 0 CBAEMO COC(=O)c1ncn(CN2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000247104216 656119746 /nfs/dbraw/zinc/11/97/46/656119746.db2.gz OQWKCOUBJWOWFP-JTQLQIEISA-N 1 1 265.317 -0.198 10 0 CBAEMO CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248950946 656120520 /nfs/dbraw/zinc/12/05/20/656120520.db2.gz FBKMOTNGKIVUGV-OLZOCXBDSA-N 1 1 283.372 -0.402 10 0 CBAEMO CO[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248950946 656120523 /nfs/dbraw/zinc/12/05/23/656120523.db2.gz FBKMOTNGKIVUGV-OLZOCXBDSA-N 1 1 283.372 -0.402 10 0 CBAEMO Cc1nccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1 ZINC000261991359 656127792 /nfs/dbraw/zinc/12/77/92/656127792.db2.gz SSLHUIIQLJJLTL-KCJUWKMLSA-N 1 1 250.302 -0.222 10 0 CBAEMO CC[C@H]1CN(Cc2noc(CN)n2)CC[N@H+]1C[C@@H](C)O ZINC000262271113 656129678 /nfs/dbraw/zinc/12/96/78/656129678.db2.gz SMJJKVQTPGIAJW-MNOVXSKESA-N 1 1 283.376 -0.195 10 0 CBAEMO COC[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262357691 656131389 /nfs/dbraw/zinc/13/13/89/656131389.db2.gz JVPCARYABDKWJJ-CYBMUJFWSA-N 1 1 265.357 -0.010 10 0 CBAEMO CC(C)(CNS(C)(=O)=O)NC[C@@H]1CCC[NH2+]C1 ZINC000708362663 656192926 /nfs/dbraw/zinc/19/29/26/656192926.db2.gz VUUIVOLNFTVMAO-SNVBAGLBSA-N 1 1 263.407 -0.097 10 0 CBAEMO CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@H]1COCC[NH2+]1 ZINC000713978892 656214891 /nfs/dbraw/zinc/21/48/91/656214891.db2.gz RHUCEBHIRWMHCG-SECBINFHSA-N 1 1 278.374 -0.744 10 0 CBAEMO COCC(=O)NC1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907506800 656515859 /nfs/dbraw/zinc/51/58/59/656515859.db2.gz SRTLKFSODRYDBL-CHWSQXEVSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000908061146 656632923 /nfs/dbraw/zinc/63/29/23/656632923.db2.gz YWRWPJJVAVZLTG-GPCCPHFNSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000908061146 656632930 /nfs/dbraw/zinc/63/29/30/656632930.db2.gz YWRWPJJVAVZLTG-GPCCPHFNSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCC(N)=O)[C@@H]2C1 ZINC000908095274 656641168 /nfs/dbraw/zinc/64/11/68/656641168.db2.gz DMFHNRLUIJIQOZ-NXEZZACHSA-N 1 1 255.318 -0.817 10 0 CBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCC(N)=O)[C@H]2C1 ZINC000908095664 656644963 /nfs/dbraw/zinc/64/49/63/656644963.db2.gz DMFHNRLUIJIQOZ-VHSXEESVSA-N 1 1 255.318 -0.817 10 0 CBAEMO C/C=C\[C@@H](O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000908365552 656712786 /nfs/dbraw/zinc/71/27/86/656712786.db2.gz GVIZNQLKJZERCJ-QKPYMPQASA-N 1 1 256.346 -0.163 10 0 CBAEMO CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nn[nH]n1 ZINC000912616914 657299805 /nfs/dbraw/zinc/29/98/05/657299805.db2.gz PLVUBAFIKKNMNK-JGVFFNPUSA-N 1 1 252.278 -0.974 10 0 CBAEMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)c1nn[nH]n1 ZINC000912616914 657299809 /nfs/dbraw/zinc/29/98/09/657299809.db2.gz PLVUBAFIKKNMNK-JGVFFNPUSA-N 1 1 252.278 -0.974 10 0 CBAEMO CC1(C)CC(=O)NCCN1C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913060932 657374396 /nfs/dbraw/zinc/37/43/96/657374396.db2.gz QJTQXCXNVUPIFY-VXGBXAGGSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)O1 ZINC000913455084 657456383 /nfs/dbraw/zinc/45/63/83/657456383.db2.gz CPTLSUGWGVDIEV-RAIGVLPGSA-N 1 1 293.371 -0.398 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN[C@@H](c3cn[nH]c3)C2)O1 ZINC000913455084 657456394 /nfs/dbraw/zinc/45/63/94/657456394.db2.gz CPTLSUGWGVDIEV-RAIGVLPGSA-N 1 1 293.371 -0.398 10 0 CBAEMO COC(=O)/C=C(/C)C[N@@H+]1CC[C@@]2(C1)NC(=O)NC2=O ZINC000929998979 659193146 /nfs/dbraw/zinc/19/31/46/659193146.db2.gz GYRCMYGABJBCRO-JECSTDCCSA-N 1 1 267.285 -0.610 10 0 CBAEMO COC(=O)/C=C(/C)C[N@H+]1CC[C@@]2(C1)NC(=O)NC2=O ZINC000929998979 659193155 /nfs/dbraw/zinc/19/31/55/659193155.db2.gz GYRCMYGABJBCRO-JECSTDCCSA-N 1 1 267.285 -0.610 10 0 CBAEMO COC(=O)/C=C(\C)C[N@@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000929998977 659193281 /nfs/dbraw/zinc/19/32/81/659193281.db2.gz GYRCMYGABJBCRO-FZKGZDJFSA-N 1 1 267.285 -0.610 10 0 CBAEMO COC(=O)/C=C(\C)C[N@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000929998977 659193293 /nfs/dbraw/zinc/19/32/93/659193293.db2.gz GYRCMYGABJBCRO-FZKGZDJFSA-N 1 1 267.285 -0.610 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nnn(C)n1 ZINC000932268978 659592920 /nfs/dbraw/zinc/59/29/20/659592920.db2.gz GHPSYCYIUDWEGD-IUCAKERBSA-N 1 1 265.321 -0.090 10 0 CBAEMO C[C@@H](O)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000125044065 187167493 /nfs/dbraw/zinc/16/74/93/187167493.db2.gz NAVOAZALGDNKQY-SECBINFHSA-N 1 1 253.306 -0.895 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C ZINC000125454195 187185531 /nfs/dbraw/zinc/18/55/31/187185531.db2.gz HDKLRRPSOAGLSD-VXGBXAGGSA-N 1 1 283.372 -0.308 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C ZINC000125454195 187185532 /nfs/dbraw/zinc/18/55/32/187185532.db2.gz HDKLRRPSOAGLSD-VXGBXAGGSA-N 1 1 283.372 -0.308 10 0 CBAEMO Cc1nccn1CCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000368489913 282204537 /nfs/dbraw/zinc/20/45/37/282204537.db2.gz IEWXSBZGQIGIAW-CYBMUJFWSA-N 1 1 266.345 -0.106 10 0 CBAEMO CC1(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000573723746 334959739 /nfs/dbraw/zinc/95/97/39/334959739.db2.gz ZHTLUKFUUQKRPE-UWVGGRQHSA-N 1 1 260.359 -0.069 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000312570836 201911222 /nfs/dbraw/zinc/91/12/22/201911222.db2.gz UUJQCOZTLSLUOW-GHMZBOCLSA-N 1 1 287.360 -0.306 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000312570836 201911225 /nfs/dbraw/zinc/91/12/25/201911225.db2.gz UUJQCOZTLSLUOW-GHMZBOCLSA-N 1 1 287.360 -0.306 10 0 CBAEMO Cc1n[nH]c(C)c1CNC(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091951761 180291487 /nfs/dbraw/zinc/29/14/87/180291487.db2.gz NGVWIDLOLMYDQI-UHFFFAOYSA-N 1 1 293.371 -0.160 10 0 CBAEMO CC(=O)NCCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824551 186075056 /nfs/dbraw/zinc/07/50/56/186075056.db2.gz JBJTZUKOVVBAEO-VXGBXAGGSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105824551 186075057 /nfs/dbraw/zinc/07/50/57/186075057.db2.gz JBJTZUKOVVBAEO-VXGBXAGGSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(=O)NCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105824551 186075058 /nfs/dbraw/zinc/07/50/58/186075058.db2.gz JBJTZUKOVVBAEO-VXGBXAGGSA-N 1 1 257.378 -0.101 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC2CC2)C[C@H]1C ZINC000105832140 186076302 /nfs/dbraw/zinc/07/63/02/186076302.db2.gz YXILRGUNPPBRCA-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC2CC2)C[C@H]1C ZINC000105832140 186076304 /nfs/dbraw/zinc/07/63/04/186076304.db2.gz YXILRGUNPPBRCA-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO COCC[N@H+]1CCN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000105834081 186076629 /nfs/dbraw/zinc/07/66/29/186076629.db2.gz BWZYKXFFCLMZLG-GFCCVEGCSA-N 1 1 298.387 -0.419 10 0 CBAEMO COCCN1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000105834081 186076630 /nfs/dbraw/zinc/07/66/30/186076630.db2.gz BWZYKXFFCLMZLG-GFCCVEGCSA-N 1 1 298.387 -0.419 10 0 CBAEMO COCCN1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000105834081 186076633 /nfs/dbraw/zinc/07/66/33/186076633.db2.gz BWZYKXFFCLMZLG-GFCCVEGCSA-N 1 1 298.387 -0.419 10 0 CBAEMO CS(=O)(=O)NCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000107303878 186169829 /nfs/dbraw/zinc/16/98/29/186169829.db2.gz YVPLORJSEFKWLU-UHFFFAOYSA-N 1 1 299.400 -0.462 10 0 CBAEMO CS(=O)(=O)NCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000107303878 186169831 /nfs/dbraw/zinc/16/98/31/186169831.db2.gz YVPLORJSEFKWLU-UHFFFAOYSA-N 1 1 299.400 -0.462 10 0 CBAEMO N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH3+] ZINC000032204692 351379414 /nfs/dbraw/zinc/37/94/14/351379414.db2.gz PLXVCVKECHOALJ-JTQLQIEISA-N 1 1 252.274 -0.461 10 0 CBAEMO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000034937540 351386343 /nfs/dbraw/zinc/38/63/43/351386343.db2.gz DHQBGEWLGYLHOQ-VHSXEESVSA-N 1 1 262.375 -0.076 10 0 CBAEMO CCN1CCC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000049230851 351489182 /nfs/dbraw/zinc/48/91/82/351489182.db2.gz SEJKJOLEIPQPOK-LBPRGKRZSA-N 1 1 282.388 -0.591 10 0 CBAEMO CC(C)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000062115881 351574623 /nfs/dbraw/zinc/57/46/23/351574623.db2.gz HXATUGDCBWVEJQ-KGLIPLIRSA-N 1 1 282.432 -0.016 10 0 CBAEMO COCCN1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115372 351574686 /nfs/dbraw/zinc/57/46/86/351574686.db2.gz MKIPVDIAMGHUII-GFCCVEGCSA-N 1 1 255.362 -0.223 10 0 CBAEMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)CN1CCOCC1 ZINC000077657459 351682194 /nfs/dbraw/zinc/68/21/94/351682194.db2.gz SDKFLPSEDJEFOW-JHJVBQTASA-N 1 1 258.362 -0.211 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521717 351693503 /nfs/dbraw/zinc/69/35/03/351693503.db2.gz KFEUDJNPYXFNCO-DGCLKSJQSA-N 1 1 254.378 -0.510 10 0 CBAEMO C[C@@H](CN1CCCC1=O)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088370257 351724431 /nfs/dbraw/zinc/72/44/31/351724431.db2.gz LBWSXFFZRFLCKR-VHSXEESVSA-N 1 1 255.318 -0.898 10 0 CBAEMO CC(C)[N@H+](CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000111682589 351804457 /nfs/dbraw/zinc/80/44/57/351804457.db2.gz SFMCOLJFSDBILS-JTQLQIEISA-N 1 1 257.334 -0.835 10 0 CBAEMO CC[C@@H]1CN(CC(=O)N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000105825214 351791867 /nfs/dbraw/zinc/79/18/67/351791867.db2.gz XNARNMGKCRZCGW-VXGBXAGGSA-N 1 1 257.378 -0.148 10 0 CBAEMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802729 351792010 /nfs/dbraw/zinc/79/20/10/351792010.db2.gz QGCMRKMUQRTOJA-JTQLQIEISA-N 1 1 292.343 -0.428 10 0 CBAEMO CNC(=O)CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915290 351792618 /nfs/dbraw/zinc/79/26/18/351792618.db2.gz UOIXFUOXDNNERM-CQSZACIVSA-N 1 1 298.431 -0.541 10 0 CBAEMO COC(=O)CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915313 351793237 /nfs/dbraw/zinc/79/32/37/351793237.db2.gz JOKMQBUURNHHCB-CQSZACIVSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CCCC2)C[C@@H]1C ZINC000105912320 351793259 /nfs/dbraw/zinc/79/32/59/351793259.db2.gz VYQSKTPUENQVHQ-QWHCGFSZSA-N 1 1 269.389 -0.004 10 0 CBAEMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110433365 351799720 /nfs/dbraw/zinc/79/97/20/351799720.db2.gz HCNKZQIHJPABAI-GHMZBOCLSA-N 1 1 253.346 -0.031 10 0 CBAEMO COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116408266 351822663 /nfs/dbraw/zinc/82/26/63/351822663.db2.gz LCAJAIKTLCKYIP-SNVBAGLBSA-N 1 1 280.328 -0.501 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116408266 351822665 /nfs/dbraw/zinc/82/26/65/351822665.db2.gz LCAJAIKTLCKYIP-SNVBAGLBSA-N 1 1 280.328 -0.501 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)cn1 ZINC000116407953 351822670 /nfs/dbraw/zinc/82/26/70/351822670.db2.gz YIUCOJZVKPUKMW-UKRRQHHQSA-N 1 1 294.399 -0.098 10 0 CBAEMO CCOCC[N@@H+]1CCN(S(N)(=O)=O)C[C@H]1CC ZINC000116899161 351824740 /nfs/dbraw/zinc/82/47/40/351824740.db2.gz TURCSIMVXKHEOX-SNVBAGLBSA-N 1 1 265.379 -0.377 10 0 CBAEMO CCOCC[N@H+]1CCN(S(N)(=O)=O)C[C@H]1CC ZINC000116899161 351824742 /nfs/dbraw/zinc/82/47/42/351824742.db2.gz TURCSIMVXKHEOX-SNVBAGLBSA-N 1 1 265.379 -0.377 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000113271824 351812948 /nfs/dbraw/zinc/81/29/48/351812948.db2.gz MSNRWNHOSVQXMS-VXGBXAGGSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnnn1 ZINC000113226555 351812985 /nfs/dbraw/zinc/81/29/85/351812985.db2.gz XWGHROMKYWPJPA-VHSXEESVSA-N 1 1 250.306 -0.632 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(N)nc(N)n1 ZINC000113271791 351813079 /nfs/dbraw/zinc/81/30/79/351813079.db2.gz LFCKWMQOSWSABR-RKDXNWHRSA-N 1 1 263.349 -0.296 10 0 CBAEMO NC(=O)[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000114562688 351817969 /nfs/dbraw/zinc/81/79/69/351817969.db2.gz CWFOJKMURJGWGT-ZIAGYGMSSA-N 1 1 294.351 -0.250 10 0 CBAEMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000114562688 351817975 /nfs/dbraw/zinc/81/79/75/351817975.db2.gz CWFOJKMURJGWGT-ZIAGYGMSSA-N 1 1 294.351 -0.250 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129756781 351873874 /nfs/dbraw/zinc/87/38/74/351873874.db2.gz WLDOVGAJMSVKNC-CYBMUJFWSA-N 1 1 297.447 -0.968 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCc2ncn(C)n2)C[C@H]1C ZINC000130443423 351878861 /nfs/dbraw/zinc/87/88/61/351878861.db2.gz PFOFUGZNJSGYMF-LLVKDONJSA-N 1 1 296.375 -0.323 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCc2ncn(C)n2)C[C@H]1C ZINC000130443423 351878865 /nfs/dbraw/zinc/87/88/65/351878865.db2.gz PFOFUGZNJSGYMF-LLVKDONJSA-N 1 1 296.375 -0.323 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000154329341 351946324 /nfs/dbraw/zinc/94/63/24/351946324.db2.gz KCXIQWUBULJIDV-MNOVXSKESA-N 1 1 298.387 -0.964 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)N2CCOCC2)C1 ZINC000134705022 351909007 /nfs/dbraw/zinc/90/90/07/351909007.db2.gz DVMKGLKMESFWHX-LLVKDONJSA-N 1 1 257.334 -0.251 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)N2CCOCC2)C1 ZINC000134705022 351909009 /nfs/dbraw/zinc/90/90/09/351909009.db2.gz DVMKGLKMESFWHX-LLVKDONJSA-N 1 1 257.334 -0.251 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nccc(N)n2)C[C@H]1C ZINC000135049211 351911363 /nfs/dbraw/zinc/91/13/63/351911363.db2.gz XABBPUMWLUBSHA-GHMZBOCLSA-N 1 1 265.361 -0.054 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000135242108 351912891 /nfs/dbraw/zinc/91/28/91/351912891.db2.gz QDJPHWRIVNNWLF-SNVBAGLBSA-N 1 1 252.318 -0.087 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000135242108 351912892 /nfs/dbraw/zinc/91/28/92/351912892.db2.gz QDJPHWRIVNNWLF-SNVBAGLBSA-N 1 1 252.318 -0.087 10 0 CBAEMO Cn1c(CN2CC[N@H+]3CCC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000171638973 352014562 /nfs/dbraw/zinc/01/45/62/352014562.db2.gz ZYHHHTKIDPFNKV-LLVKDONJSA-N 1 1 278.356 -0.636 10 0 CBAEMO [NH3+]CCNc1nc[nH]c(=O)c1I ZINC000163524071 351982017 /nfs/dbraw/zinc/98/20/17/351982017.db2.gz BNLPUXQWDZYPBJ-UHFFFAOYSA-N 1 1 280.069 -0.255 10 0 CBAEMO COCCN1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]1C ZINC000171570389 352012684 /nfs/dbraw/zinc/01/26/84/352012684.db2.gz JQNGPAXUTIEJLF-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@@H+]1CCN(CCCC(=O)NC(N)=O)C[C@@H]1C ZINC000171570389 352012688 /nfs/dbraw/zinc/01/26/88/352012688.db2.gz JQNGPAXUTIEJLF-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@H+]1CCN(CCCC(=O)NC(N)=O)C[C@@H]1C ZINC000171570389 352012691 /nfs/dbraw/zinc/01/26/91/352012691.db2.gz JQNGPAXUTIEJLF-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000171638001 352014749 /nfs/dbraw/zinc/01/47/49/352014749.db2.gz UTDHBAXPUIVUJO-CYBMUJFWSA-N 1 1 294.399 -0.495 10 0 CBAEMO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173847694 352042626 /nfs/dbraw/zinc/04/26/26/352042626.db2.gz USDOOZJGALXXFM-OLZOCXBDSA-N 1 1 295.383 -0.212 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173939609 352043077 /nfs/dbraw/zinc/04/30/77/352043077.db2.gz OBHHJVVDFXWSNL-GFCCVEGCSA-N 1 1 298.387 -0.371 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173939609 352043081 /nfs/dbraw/zinc/04/30/81/352043081.db2.gz OBHHJVVDFXWSNL-GFCCVEGCSA-N 1 1 298.387 -0.371 10 0 CBAEMO CC(=O)NCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943519 352043568 /nfs/dbraw/zinc/04/35/68/352043568.db2.gz BQRJZYAEPRXIAC-ZDUSSCGKSA-N 1 1 255.362 -0.081 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173935502 352043590 /nfs/dbraw/zinc/04/35/90/352043590.db2.gz VJIFSAPLTITQOU-NSHDSACASA-N 1 1 284.360 -0.761 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173935502 352043592 /nfs/dbraw/zinc/04/35/92/352043592.db2.gz VJIFSAPLTITQOU-NSHDSACASA-N 1 1 284.360 -0.761 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943186 352043698 /nfs/dbraw/zinc/04/36/98/352043698.db2.gz PROAKXCBEOHMEN-ZDUSSCGKSA-N 1 1 285.388 -0.454 10 0 CBAEMO COCCCNC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943186 352043699 /nfs/dbraw/zinc/04/36/99/352043699.db2.gz PROAKXCBEOHMEN-ZDUSSCGKSA-N 1 1 285.388 -0.454 10 0 CBAEMO CC[C@@H](O)CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000174079976 352044729 /nfs/dbraw/zinc/04/47/29/352044729.db2.gz ZEEADWNSCSCAPZ-KGLIPLIRSA-N 1 1 282.388 -0.368 10 0 CBAEMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000177569173 352074907 /nfs/dbraw/zinc/07/49/07/352074907.db2.gz AZNQSNCHDDLLKO-FZMZJTMJSA-N 1 1 284.356 -0.145 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000175332042 352055684 /nfs/dbraw/zinc/05/56/84/352055684.db2.gz SZDMPEZSFUJONA-STQMWFEESA-N 1 1 298.431 -0.005 10 0 CBAEMO C[C@H]1CN(C(=O)NCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175628858 352057530 /nfs/dbraw/zinc/05/75/30/352057530.db2.gz WQVIQLRXBOPNDK-RYUDHWBXSA-N 1 1 298.387 -0.563 10 0 CBAEMO Cc1cc(N2CCC[C@@H](NC(=O)C[NH+](C)C)C2=O)n(C)n1 ZINC000175819560 352059160 /nfs/dbraw/zinc/05/91/60/352059160.db2.gz AYFJXBRHDJRXAU-LLVKDONJSA-N 1 1 293.371 -0.098 10 0 CBAEMO COCC[N@H+]1CCN(Cc2ncnn2C)C[C@H]1C ZINC000177131009 352070198 /nfs/dbraw/zinc/07/01/98/352070198.db2.gz XSHJCELPRJUMTD-LLVKDONJSA-N 1 1 253.350 -0.032 10 0 CBAEMO COC(=O)CCNC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177767688 352076095 /nfs/dbraw/zinc/07/60/95/352076095.db2.gz FMZRMGNPAXRGIG-GFCCVEGCSA-N 1 1 283.372 -0.164 10 0 CBAEMO C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]1N1CCOCC1 ZINC000177259312 352072538 /nfs/dbraw/zinc/07/25/38/352072538.db2.gz MQAGHJGMOWPEIT-NEPJUHHUSA-N 1 1 298.387 -0.386 10 0 CBAEMO O=C1CCCN1C[C@@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000171884162 352017594 /nfs/dbraw/zinc/01/75/94/352017594.db2.gz KFIYTCGBKGPTHL-STQMWFEESA-N 1 1 267.373 -0.250 10 0 CBAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100790 352021241 /nfs/dbraw/zinc/02/12/41/352021241.db2.gz WRFYRVITTOTXFR-STQMWFEESA-N 1 1 286.372 -0.557 10 0 CBAEMO Cn1c(CN2CC[N@H+]3CCCC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000172803982 352030806 /nfs/dbraw/zinc/03/08/06/352030806.db2.gz ICMUUCJKNLKACZ-GFCCVEGCSA-N 1 1 292.383 -0.246 10 0 CBAEMO CCCCOCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185185345 352117763 /nfs/dbraw/zinc/11/77/63/352117763.db2.gz JGBXAJDMRAECHJ-NEPJUHHUSA-N 1 1 274.361 -0.653 10 0 CBAEMO CCCCOCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185185345 352117765 /nfs/dbraw/zinc/11/77/65/352117765.db2.gz JGBXAJDMRAECHJ-NEPJUHHUSA-N 1 1 274.361 -0.653 10 0 CBAEMO COCC(=O)NC1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000185374053 352119536 /nfs/dbraw/zinc/11/95/36/352119536.db2.gz CBONZRGJVAIZDQ-SNVBAGLBSA-N 1 1 298.387 -0.375 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)NCCn1cc(C)cn1 ZINC000187303958 352137134 /nfs/dbraw/zinc/13/71/34/352137134.db2.gz QJAAFNBBGXEVFO-UHFFFAOYSA-N 1 1 283.376 -0.195 10 0 CBAEMO CC[C@H]1CN([C@@H]2CCNC2=O)CC[N@H+]1CCOC ZINC000178199222 352077900 /nfs/dbraw/zinc/07/79/00/352077900.db2.gz DJBVYSPEGUDZEO-NWDGAFQWSA-N 1 1 255.362 -0.083 10 0 CBAEMO COCCOCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178691785 352080852 /nfs/dbraw/zinc/08/08/52/352080852.db2.gz MXOCGCYIDWAZHV-GFCCVEGCSA-N 1 1 292.401 -0.241 10 0 CBAEMO COC(=O)Cn1cc(CCN2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000178974902 352087135 /nfs/dbraw/zinc/08/71/35/352087135.db2.gz ICVGMLRVGMTCKH-CYBMUJFWSA-N 1 1 293.371 -0.226 10 0 CBAEMO CC1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000179182213 352088520 /nfs/dbraw/zinc/08/85/20/352088520.db2.gz UBRQEDUIVFPBSW-VXGBXAGGSA-N 1 1 256.346 -0.328 10 0 CBAEMO CC1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000179182213 352088522 /nfs/dbraw/zinc/08/85/22/352088522.db2.gz UBRQEDUIVFPBSW-VXGBXAGGSA-N 1 1 256.346 -0.328 10 0 CBAEMO Cn1cnn(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1=O ZINC000179459197 352091198 /nfs/dbraw/zinc/09/11/98/352091198.db2.gz IJBJUXPEUKLGGM-NSHDSACASA-N 1 1 279.344 -0.722 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)cn1 ZINC000180498963 352094459 /nfs/dbraw/zinc/09/44/59/352094459.db2.gz DETJHQPSHZUXBI-ZDUSSCGKSA-N 1 1 291.399 -0.017 10 0 CBAEMO COCCCOCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181068729 352097592 /nfs/dbraw/zinc/09/75/92/352097592.db2.gz PGEWWOPELCMUCR-CHWSQXEVSA-N 1 1 288.388 -0.047 10 0 CBAEMO COCCCOCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181068729 352097597 /nfs/dbraw/zinc/09/75/97/352097597.db2.gz PGEWWOPELCMUCR-CHWSQXEVSA-N 1 1 288.388 -0.047 10 0 CBAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000189082922 352164412 /nfs/dbraw/zinc/16/44/12/352164412.db2.gz MKBXTQOLOKEBIF-MCIONIFRSA-N 1 1 297.399 -0.233 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000189308678 352167446 /nfs/dbraw/zinc/16/74/46/352167446.db2.gz JFHFBKLXGQFEJK-SNVBAGLBSA-N 1 1 296.371 -0.083 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000189308678 352167448 /nfs/dbraw/zinc/16/74/48/352167448.db2.gz JFHFBKLXGQFEJK-SNVBAGLBSA-N 1 1 296.371 -0.083 10 0 CBAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000194986333 352220134 /nfs/dbraw/zinc/22/01/34/352220134.db2.gz CMUOZJAMKRKHCH-SECBINFHSA-N 1 1 270.333 -0.486 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)COCCOC)C1 ZINC000227203691 352255691 /nfs/dbraw/zinc/25/56/91/352255691.db2.gz FBRYPADOZKTTRB-NSHDSACASA-N 1 1 260.334 -0.514 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)COCCOC)C1 ZINC000227203691 352255694 /nfs/dbraw/zinc/25/56/94/352255694.db2.gz FBRYPADOZKTTRB-NSHDSACASA-N 1 1 260.334 -0.514 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(NC)cn2)C1 ZINC000230117295 352271176 /nfs/dbraw/zinc/27/11/76/352271176.db2.gz POPJEIQUDNVMGY-JTQLQIEISA-N 1 1 279.344 -0.031 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(NC)cn2)C1 ZINC000230117295 352271179 /nfs/dbraw/zinc/27/11/79/352271179.db2.gz POPJEIQUDNVMGY-JTQLQIEISA-N 1 1 279.344 -0.031 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CNC(=O)C1 ZINC000223974532 352243778 /nfs/dbraw/zinc/24/37/78/352243778.db2.gz QZXMJTVLELJOBC-HBNTYKKESA-N 1 1 251.330 -0.135 10 0 CBAEMO O=C([C@@H]1CNC(=O)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000224245047 352245899 /nfs/dbraw/zinc/24/58/99/352245899.db2.gz XHMUNLKXOAPGRM-STQMWFEESA-N 1 1 295.383 -0.164 10 0 CBAEMO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1nnc[nH]1 ZINC000226409460 352252016 /nfs/dbraw/zinc/25/20/16/352252016.db2.gz GWCSNLZAMVJZKU-VIFPVBQESA-N 1 1 266.349 -0.334 10 0 CBAEMO O=C(CCNC(=O)[C@H]1COCC[NH2+]1)NCc1ccccc1 ZINC000238033551 352313393 /nfs/dbraw/zinc/31/33/93/352313393.db2.gz YLTXEVYPICODAA-CYBMUJFWSA-N 1 1 291.351 -0.203 10 0 CBAEMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000248392279 352351138 /nfs/dbraw/zinc/35/11/38/352351138.db2.gz KCQBZOFAMJLVJZ-XQHKEYJVSA-N 1 1 270.373 -0.082 10 0 CBAEMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)C1 ZINC000248392279 352351142 /nfs/dbraw/zinc/35/11/42/352351142.db2.gz KCQBZOFAMJLVJZ-XQHKEYJVSA-N 1 1 270.373 -0.082 10 0 CBAEMO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCO1 ZINC000248451012 352352248 /nfs/dbraw/zinc/35/22/48/352352248.db2.gz YDXBIABEFOIEOB-GHMZBOCLSA-N 1 1 274.361 -0.391 10 0 CBAEMO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CCO1 ZINC000248451012 352352249 /nfs/dbraw/zinc/35/22/49/352352249.db2.gz YDXBIABEFOIEOB-GHMZBOCLSA-N 1 1 274.361 -0.391 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000245539459 352321425 /nfs/dbraw/zinc/32/14/25/352321425.db2.gz OALAIRAIKTXSFR-KGLIPLIRSA-N 1 1 280.416 -0.071 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245614032 352322348 /nfs/dbraw/zinc/32/23/48/352322348.db2.gz CKOPZXFEQGMSFS-RYUDHWBXSA-N 1 1 283.372 -0.214 10 0 CBAEMO CCOCC[N@H+]1CCN(CCNS(C)(=O)=O)C[C@H]1C ZINC000245904848 352326578 /nfs/dbraw/zinc/32/65/78/352326578.db2.gz HKOVRNWPXJBNTR-GFCCVEGCSA-N 1 1 293.433 -0.422 10 0 CBAEMO CC[C@@H]1CN(CCOCCO)CC[N@H+]1C[C@H](C)O ZINC000246191218 352329137 /nfs/dbraw/zinc/32/91/37/352329137.db2.gz MBDZONKAUZMVLB-QWHCGFSZSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246309731 352331354 /nfs/dbraw/zinc/33/13/54/352331354.db2.gz CKHGXHQOTXKXDQ-RYUDHWBXSA-N 1 1 298.387 -0.515 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1N1CCOCC1 ZINC000246397421 352332259 /nfs/dbraw/zinc/33/22/59/352332259.db2.gz JGGUOHSWDWOYIL-VXGBXAGGSA-N 1 1 296.371 -0.809 10 0 CBAEMO C[NH2+]CCCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246742459 352337460 /nfs/dbraw/zinc/33/74/60/352337460.db2.gz ZDRHPONNSYQYCD-RYUDHWBXSA-N 1 1 257.378 -0.101 10 0 CBAEMO COC(=O)CNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246783186 352338477 /nfs/dbraw/zinc/33/84/77/352338477.db2.gz BGJAMEGZQSXMPI-QWRGUYRKSA-N 1 1 269.345 -0.556 10 0 CBAEMO CN1CC[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246907710 352339518 /nfs/dbraw/zinc/33/95/18/352339518.db2.gz IDGWMODFIHGFBM-NEPJUHHUSA-N 1 1 253.346 -0.376 10 0 CBAEMO COC(=O)CNC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247123190 352344079 /nfs/dbraw/zinc/34/40/79/352344079.db2.gz JCGHOZXHLNDUGE-NEPJUHHUSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC(=O)C1 ZINC000247231270 352344686 /nfs/dbraw/zinc/34/46/86/352344686.db2.gz MSNRWNHOSVQXMS-NEPJUHHUSA-N 1 1 280.372 -0.887 10 0 CBAEMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247659796 352347998 /nfs/dbraw/zinc/34/79/98/352347998.db2.gz ZLQVZEHOPIHRJH-GHMZBOCLSA-N 1 1 272.345 -0.289 10 0 CBAEMO CC(C)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1=O ZINC000261900737 352399491 /nfs/dbraw/zinc/39/94/91/352399491.db2.gz AGLHNRLCQPZPQL-MXWKQRLJSA-N 1 1 269.345 -0.511 10 0 CBAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1COCCN1 ZINC000251077063 352373978 /nfs/dbraw/zinc/37/39/78/352373978.db2.gz GMOFTXGRPWIHHS-ZYHUDNBSSA-N 1 1 253.346 -0.425 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CNC(=O)C1 ZINC000252964392 352380274 /nfs/dbraw/zinc/38/02/74/352380274.db2.gz QZXMJTVLELJOBC-AXFHLTTASA-N 1 1 251.330 -0.135 10 0 CBAEMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CNC(=O)C1 ZINC000252964393 352380929 /nfs/dbraw/zinc/38/09/29/352380929.db2.gz QZXMJTVLELJOBC-DCAQKATOSA-N 1 1 251.330 -0.135 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 ZINC000261572521 352388817 /nfs/dbraw/zinc/38/88/17/352388817.db2.gz LRAYWRCTMJYULE-HBNTYKKESA-N 1 1 251.330 -0.196 10 0 CBAEMO CC1(C)NC(=O)N(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000261679341 352392643 /nfs/dbraw/zinc/39/26/43/352392643.db2.gz GPSMKDRDFFWIDW-HBNTYKKESA-N 1 1 280.372 -0.014 10 0 CBAEMO C[C@@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261864151 352398534 /nfs/dbraw/zinc/39/85/34/352398534.db2.gz CLFWZMMIDJSARM-QCNOEVLYSA-N 1 1 272.345 -0.327 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000248908694 352357602 /nfs/dbraw/zinc/35/76/02/352357602.db2.gz MHYDZAVCAYDHOX-MNOVXSKESA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000248908694 352357605 /nfs/dbraw/zinc/35/76/05/352357605.db2.gz MHYDZAVCAYDHOX-MNOVXSKESA-N 1 1 269.345 -0.556 10 0 CBAEMO C[C@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000262281429 352413375 /nfs/dbraw/zinc/41/33/75/352413375.db2.gz NYLDWPKMZFHWDT-CRWXNKLISA-N 1 1 297.399 -0.458 10 0 CBAEMO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262392830 352420284 /nfs/dbraw/zinc/42/02/84/352420284.db2.gz XZYPVJYVZPYASG-WOPDTQHZSA-N 1 1 271.361 -0.800 10 0 CBAEMO COC[C@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262479181 352423686 /nfs/dbraw/zinc/42/36/86/352423686.db2.gz ZGAVDKJITQWGML-ZDUSSCGKSA-N 1 1 286.420 -0.650 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000262022576 352404273 /nfs/dbraw/zinc/40/42/73/352404273.db2.gz WTOGZIFQMYQYLR-MFKMUULPSA-N 1 1 295.383 -0.120 10 0 CBAEMO C[C@H]1CN(CCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263251402 352440980 /nfs/dbraw/zinc/44/09/80/352440980.db2.gz DXVPNVUYIHNMMJ-QWRGUYRKSA-N 1 1 255.362 -0.179 10 0 CBAEMO Cn1nnc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)n1 ZINC000299746070 352728931 /nfs/dbraw/zinc/72/89/31/352728931.db2.gz VCLUCUUVGSEOHR-RNFRBKRXSA-N 1 1 292.265 -0.434 10 0 CBAEMO CCCN(CCC)C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312365676 352775164 /nfs/dbraw/zinc/77/51/64/352775164.db2.gz ZXNGPWVCOKZQKO-CQSZACIVSA-N 1 1 285.388 -0.053 10 0 CBAEMO CCOC(=O)COCC[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310724731 352761172 /nfs/dbraw/zinc/76/11/72/352761172.db2.gz BRASZTGKUGZDAP-QWRGUYRKSA-N 1 1 261.318 -0.352 10 0 CBAEMO CCN1CCO[C@H](CNS(=O)(=O)c2ncc[nH]2)C1 ZINC000311031123 352764843 /nfs/dbraw/zinc/76/48/43/352764843.db2.gz SPGRCSKYBJLGKT-SECBINFHSA-N 1 1 274.346 -0.591 10 0 CBAEMO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311054796 352765103 /nfs/dbraw/zinc/76/51/03/352765103.db2.gz VPJULKQWVOFKAA-SKDRFNHKSA-N 1 1 256.302 -0.750 10 0 CBAEMO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311054796 352765104 /nfs/dbraw/zinc/76/51/04/352765104.db2.gz VPJULKQWVOFKAA-SKDRFNHKSA-N 1 1 256.302 -0.750 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000311630100 352768946 /nfs/dbraw/zinc/76/89/46/352768946.db2.gz JAIUWPRDHVVYJC-RVMXOQNASA-N 1 1 277.361 -0.520 10 0 CBAEMO CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000311889776 352771354 /nfs/dbraw/zinc/77/13/54/352771354.db2.gz DAILJWCKNLIRPB-NEPJUHHUSA-N 1 1 291.417 -0.622 10 0 CBAEMO C[N@H+]1CC[C@](O)(CNC(=O)N2CCSCC2)C1 ZINC000335941646 353038717 /nfs/dbraw/zinc/03/87/17/353038717.db2.gz XMNXSGOEDOFTKS-NSHDSACASA-N 1 1 259.375 -0.189 10 0 CBAEMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@@H](CCO)C2)C1 ZINC000338313023 353095318 /nfs/dbraw/zinc/09/53/18/353095318.db2.gz GSPLIPCZMCCYBX-RYUDHWBXSA-N 1 1 276.402 -0.028 10 0 CBAEMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H](CCO)C2)C1 ZINC000338313022 353095406 /nfs/dbraw/zinc/09/54/06/353095406.db2.gz GSPLIPCZMCCYBX-NWDGAFQWSA-N 1 1 276.402 -0.028 10 0 CBAEMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@H](CCO)C2)C1 ZINC000338313024 353095629 /nfs/dbraw/zinc/09/56/29/353095629.db2.gz GSPLIPCZMCCYBX-VXGBXAGGSA-N 1 1 276.402 -0.028 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)N(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000343317279 353266943 /nfs/dbraw/zinc/26/69/43/353266943.db2.gz HQPRBQGASXQMCG-NWDGAFQWSA-N 1 1 294.355 -0.101 10 0 CBAEMO CCCCNC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375487818 353760884 /nfs/dbraw/zinc/76/08/84/353760884.db2.gz RUBIZJUCOHDMJR-GFCCVEGCSA-N 1 1 257.334 -0.785 10 0 CBAEMO CCCCNC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375487818 353760886 /nfs/dbraw/zinc/76/08/86/353760886.db2.gz RUBIZJUCOHDMJR-GFCCVEGCSA-N 1 1 257.334 -0.785 10 0 CBAEMO COC(=O)c1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000381119769 353782965 /nfs/dbraw/zinc/78/29/65/353782965.db2.gz AFHYJVUJHVVPNY-SECBINFHSA-N 1 1 254.290 -0.480 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401743330 353803199 /nfs/dbraw/zinc/80/31/99/353803199.db2.gz LZHYGYSWUQZYQY-UTLUCORTSA-N 1 1 257.334 -0.077 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401743326 353803356 /nfs/dbraw/zinc/80/33/56/353803356.db2.gz LZHYGYSWUQZYQY-KXUCPTDWSA-N 1 1 257.334 -0.077 10 0 CBAEMO COC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404047213 353805694 /nfs/dbraw/zinc/80/56/94/353805694.db2.gz JFAQSNFRCYGHPN-HBNTYKKESA-N 1 1 278.374 -0.586 10 0 CBAEMO O=S(=O)(CC1CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404198460 353805767 /nfs/dbraw/zinc/80/57/67/353805767.db2.gz OKCNJCUURGWPKN-WDEREUQCSA-N 1 1 260.359 -0.211 10 0 CBAEMO Cn1nccc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404210907 353806270 /nfs/dbraw/zinc/80/62/70/353806270.db2.gz VIZNCZVRLMBSAQ-NXEZZACHSA-N 1 1 286.357 -0.829 10 0 CBAEMO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1=O ZINC000329172063 283045137 /nfs/dbraw/zinc/04/51/37/283045137.db2.gz KVAVLWYQZBKOGP-IVZWLZJFSA-N 1 1 258.343 -0.664 10 0 CBAEMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1=O ZINC000329172063 283045138 /nfs/dbraw/zinc/04/51/38/283045138.db2.gz KVAVLWYQZBKOGP-IVZWLZJFSA-N 1 1 258.343 -0.664 10 0 CBAEMO C[NH+](C)C[C@@H](O)CNC[C@@H](O)COCc1ccco1 ZINC000572763002 354897159 /nfs/dbraw/zinc/89/71/59/354897159.db2.gz MZSCZIULIDYMAY-NWDGAFQWSA-N 1 1 272.345 -0.331 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(C(N)=O)c1 ZINC000616638796 356105073 /nfs/dbraw/zinc/10/50/73/356105073.db2.gz HTGOYQHGFUYXJX-LLVKDONJSA-N 1 1 283.353 -0.309 10 0 CBAEMO CC(=O)Nc1cccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616604767 356102156 /nfs/dbraw/zinc/10/21/56/356102156.db2.gz NEGRNLPQAIYGDK-GFCCVEGCSA-N 1 1 298.368 -0.205 10 0 CBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)C3(O)CCOCC3)[C@H]2C1 ZINC000329191187 283153997 /nfs/dbraw/zinc/15/39/97/283153997.db2.gz QKKVUMUTBFPWBQ-NWDGAFQWSA-N 1 1 284.356 -0.541 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1nncn1C ZINC000631963545 356935928 /nfs/dbraw/zinc/93/59/28/356935928.db2.gz FTJPCEIDTQPGBT-NXEZZACHSA-N 1 1 285.373 -0.328 10 0 CBAEMO CC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000631553508 356894495 /nfs/dbraw/zinc/89/44/95/356894495.db2.gz UMVPOPUINYCONX-RYUDHWBXSA-N 1 1 293.371 -0.084 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770228 357134774 /nfs/dbraw/zinc/13/47/74/357134774.db2.gz DWAZKHQXXLWNBC-YDHLFZDLSA-N 1 1 280.416 -0.262 10 0 CBAEMO C[C@](O)(C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F ZINC000639743221 357593830 /nfs/dbraw/zinc/59/38/30/357593830.db2.gz XOUJETCALWGLGS-HLTSFMKQSA-N 1 1 280.250 -0.191 10 0 CBAEMO C[C@](O)(C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F ZINC000639743221 357593831 /nfs/dbraw/zinc/59/38/31/357593831.db2.gz XOUJETCALWGLGS-HLTSFMKQSA-N 1 1 280.250 -0.191 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848886 357606262 /nfs/dbraw/zinc/60/62/62/357606262.db2.gz JZTKUGUWCFXTPI-YNEHKIRRSA-N 1 1 261.362 -0.018 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000261868988 291209840 /nfs/dbraw/zinc/20/98/40/291209840.db2.gz CYCITCUDOUBDEE-FOGDFJRCSA-N 1 1 269.345 -0.523 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(C)C1=O ZINC000262250064 291211100 /nfs/dbraw/zinc/21/11/00/291211100.db2.gz LNGWTUQYFMVYIT-UTLUCORTSA-N 1 1 255.318 -0.900 10 0 CBAEMO CN(CC(=O)NC[C@H]1CCC[NH2+]1)c1ncnc2[nH]cnc21 ZINC000178786894 189145765 /nfs/dbraw/zinc/14/57/65/189145765.db2.gz DUVXKBBRFHLLAQ-SECBINFHSA-N 1 1 289.343 -0.343 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccc(F)cc1 ZINC000179176110 189175408 /nfs/dbraw/zinc/17/54/08/189175408.db2.gz XGDBUXVKDKSQCU-OLZOCXBDSA-N 1 1 282.315 -0.131 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccc(F)cc1 ZINC000179176110 189175409 /nfs/dbraw/zinc/17/54/09/189175409.db2.gz XGDBUXVKDKSQCU-OLZOCXBDSA-N 1 1 282.315 -0.131 10 0 CBAEMO COC(=O)c1coc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184005065 189374248 /nfs/dbraw/zinc/37/42/48/189374248.db2.gz RVZPHAURLYZFFW-NXEZZACHSA-N 1 1 255.270 -0.006 10 0 CBAEMO COC(=O)c1coc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184005065 189374249 /nfs/dbraw/zinc/37/42/49/189374249.db2.gz RVZPHAURLYZFFW-NXEZZACHSA-N 1 1 255.270 -0.006 10 0 CBAEMO Cn1cc(N2CCC[C@H]([N@@H+]3C[C@H](O)C[C@@H]3CO)C2=O)cn1 ZINC000184739372 189393968 /nfs/dbraw/zinc/39/39/68/189393968.db2.gz KRYGSXWJFFLAGD-RTXFEEFZSA-N 1 1 294.355 -0.657 10 0 CBAEMO Cn1cc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@@H]3CO)C2=O)cn1 ZINC000184739372 189393969 /nfs/dbraw/zinc/39/39/69/189393969.db2.gz KRYGSXWJFFLAGD-RTXFEEFZSA-N 1 1 294.355 -0.657 10 0 CBAEMO C[C@](O)(C[N@H+]1CCC[C@@](O)(C(N)=O)C1)C(F)(F)F ZINC000375465167 291341476 /nfs/dbraw/zinc/34/14/76/291341476.db2.gz HCLBVUMAASPKRE-IUCAKERBSA-N 1 1 270.251 -0.388 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1C[C@H](OC)C[C@H]1COC ZINC000344377072 217173999 /nfs/dbraw/zinc/17/39/99/217173999.db2.gz XNLIGUSYACUAEY-WDEREUQCSA-N 1 1 280.390 -0.339 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@H](OC)C[C@H]1COC ZINC000344377072 217174002 /nfs/dbraw/zinc/17/40/02/217174002.db2.gz XNLIGUSYACUAEY-WDEREUQCSA-N 1 1 280.390 -0.339 10 0 CBAEMO C[NH+](C)CCCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000170240695 372828888 /nfs/dbraw/zinc/82/88/88/372828888.db2.gz MUZBMYODFKTAAV-SECBINFHSA-N 1 1 251.334 -0.023 10 0 CBAEMO C[NH+](C)CCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000170240695 372828895 /nfs/dbraw/zinc/82/88/95/372828895.db2.gz MUZBMYODFKTAAV-SECBINFHSA-N 1 1 251.334 -0.023 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000220512186 372870895 /nfs/dbraw/zinc/87/08/95/372870895.db2.gz BKPAWZLPUASSOI-RYUDHWBXSA-N 1 1 254.378 -0.652 10 0 CBAEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCNCC1 ZINC000251855079 372897049 /nfs/dbraw/zinc/89/70/49/372897049.db2.gz RWBGPDDCDZJVNP-KBPBESRZSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCNCC1 ZINC000251855079 372897057 /nfs/dbraw/zinc/89/70/57/372897057.db2.gz RWBGPDDCDZJVNP-KBPBESRZSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCNC1=O ZINC000247041424 372886789 /nfs/dbraw/zinc/88/67/89/372886789.db2.gz GPTLVDWBDMMCTP-QWRGUYRKSA-N 1 1 266.345 -0.293 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000286048284 372955304 /nfs/dbraw/zinc/95/53/04/372955304.db2.gz FFVVWHYTMOQDND-CYBMUJFWSA-N 1 1 281.312 -0.792 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000286048284 372955311 /nfs/dbraw/zinc/95/53/11/372955311.db2.gz FFVVWHYTMOQDND-CYBMUJFWSA-N 1 1 281.312 -0.792 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890204 217346363 /nfs/dbraw/zinc/34/63/63/217346363.db2.gz CHOVGGFJFCGGAJ-WDEREUQCSA-N 1 1 287.360 -0.450 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890204 217346365 /nfs/dbraw/zinc/34/63/65/217346365.db2.gz CHOVGGFJFCGGAJ-WDEREUQCSA-N 1 1 287.360 -0.450 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344897328 217350687 /nfs/dbraw/zinc/35/06/87/217350687.db2.gz PNMDXXVLAZSDRF-LPEHRKFASA-N 1 1 273.333 -0.698 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000344897328 217350688 /nfs/dbraw/zinc/35/06/88/217350688.db2.gz PNMDXXVLAZSDRF-LPEHRKFASA-N 1 1 273.333 -0.698 10 0 CBAEMO C[NH+](C)CCOC(=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000040168375 220192953 /nfs/dbraw/zinc/19/29/53/220192953.db2.gz ZDKOPDNBRFYFGD-MRVPVSSYSA-N 1 1 266.388 -0.374 10 0 CBAEMO C[NH+](C)CCOC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000040168395 220193904 /nfs/dbraw/zinc/19/39/04/220193904.db2.gz MRCBPRRIYHISMJ-SECBINFHSA-N 1 1 264.347 -0.291 10 0 CBAEMO CC(C)N1CCC[C@@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000368495406 373543492 /nfs/dbraw/zinc/54/34/92/373543492.db2.gz JRGVHCASVPZYLP-BXUZGUMPSA-N 1 1 283.372 -0.302 10 0 CBAEMO COC[C@]1(C(=O)N2CCCN(C)CC2)CCC[NH2+]1 ZINC000643768078 374407546 /nfs/dbraw/zinc/40/75/46/374407546.db2.gz QMWQABJVUYAAJL-ZDUSSCGKSA-N 1 1 255.362 -0.081 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1O ZINC000647038582 374868490 /nfs/dbraw/zinc/86/84/90/374868490.db2.gz LURSNNMGIUQIMM-WRWORJQWSA-N 1 1 254.261 -0.159 10 0 CBAEMO CN[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000262358999 190053456 /nfs/dbraw/zinc/05/34/56/190053456.db2.gz KCARRKKPWBSVQC-NEPJUHHUSA-N 1 1 265.361 -0.109 10 0 CBAEMO CN(CCN1C(=O)CNC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000231670688 248164257 /nfs/dbraw/zinc/16/42/57/248164257.db2.gz GCJNZYPPGVJAMR-SNVBAGLBSA-N 1 1 254.334 -0.388 10 0 CBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000347083276 218114840 /nfs/dbraw/zinc/11/48/40/218114840.db2.gz ICVYHUKACXWRSD-GMTAPVOTSA-N 1 1 269.345 -0.822 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173950891 285303558 /nfs/dbraw/zinc/30/35/58/285303558.db2.gz JHJQPJBSBKXDHQ-HUUCEWRRSA-N 1 1 299.415 -0.914 10 0 CBAEMO O=C(c1cnccn1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000247757685 256696739 /nfs/dbraw/zinc/69/67/39/256696739.db2.gz FIYSDHCVPLZXGA-RYUDHWBXSA-N 1 1 276.340 -0.137 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC000247237804 286090025 /nfs/dbraw/zinc/09/00/25/286090025.db2.gz RWSWZGVMDADYRW-MNOVXSKESA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC000247237804 286090028 /nfs/dbraw/zinc/09/00/28/286090028.db2.gz RWSWZGVMDADYRW-MNOVXSKESA-N 1 1 286.376 -0.388 10 0 CBAEMO CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000261543215 286712765 /nfs/dbraw/zinc/71/27/65/286712765.db2.gz RTNKWTLFZWBYGT-IWSPIJDZSA-N 1 1 259.375 -0.021 10 0 CBAEMO Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC000005161655 170072353 /nfs/dbraw/zinc/07/23/53/170072353.db2.gz GAKDEQRUZQIUER-FMTFEUNWSA-N 1 1 250.258 -0.346 10 0 CBAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@@H]12)[C@H](C)O ZINC000005481951 170104037 /nfs/dbraw/zinc/10/40/37/170104037.db2.gz SFVVQRJOGUKCEG-DNVSUFBTSA-N 1 1 299.367 -0.327 10 0 CBAEMO C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000037629071 411624958 /nfs/dbraw/zinc/62/49/58/411624958.db2.gz GLBOFIQHTCZZTO-PSASIEDQSA-N 1 1 293.323 -0.162 10 0 CBAEMO C[NH+]1CCN(C(=O)COc2cccnc2N)CC1 ZINC000020483654 171223472 /nfs/dbraw/zinc/22/34/72/171223472.db2.gz SLLFDOIWNWJRKP-UHFFFAOYSA-N 1 1 250.302 -0.183 10 0 CBAEMO NC(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000284927911 196158780 /nfs/dbraw/zinc/15/87/80/196158780.db2.gz UIODDKFATLZFIA-CQSZACIVSA-N 1 1 277.324 -0.402 10 0 CBAEMO CS(=O)(=O)CC[C@H]([NH3+])c1nnc2cnccn21 ZINC000035452525 172205150 /nfs/dbraw/zinc/20/51/50/172205150.db2.gz IRFLEPVLOBRHJV-ZETCQYMHSA-N 1 1 255.303 -0.441 10 0 CBAEMO CN(CCC(=O)Nc1ccc(C[NH3+])cc1)CC(N)=O ZINC000037268396 173080250 /nfs/dbraw/zinc/08/02/50/173080250.db2.gz ZPNBILFLWGGURP-UHFFFAOYSA-N 1 1 264.329 -0.109 10 0 CBAEMO C[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCO2 ZINC000037628036 173578445 /nfs/dbraw/zinc/57/84/45/173578445.db2.gz YKVCUFLZOGBWFH-IONNQARKSA-N 1 1 279.296 -0.205 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000037750135 173672729 /nfs/dbraw/zinc/67/27/29/173672729.db2.gz AOKUQUHBQDLRQQ-BQBZGAKWSA-N 1 1 267.251 -0.010 10 0 CBAEMO COCCOc1cccc(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037767313 173696494 /nfs/dbraw/zinc/69/64/94/173696494.db2.gz PUAJHSQHEHZMHR-LLVKDONJSA-N 1 1 281.312 -0.147 10 0 CBAEMO O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000037806213 173748583 /nfs/dbraw/zinc/74/85/83/173748583.db2.gz ADVBMEUPRJDFPV-UWVGGRQHSA-N 1 1 269.370 -0.082 10 0 CBAEMO CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037811029 173755742 /nfs/dbraw/zinc/75/57/42/173755742.db2.gz DWEFGMAFWZIUBY-JTQLQIEISA-N 1 1 278.312 -0.714 10 0 CBAEMO COC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000038030470 174022359 /nfs/dbraw/zinc/02/23/59/174022359.db2.gz KBIMXSNKLOFZKW-SECBINFHSA-N 1 1 266.301 -0.054 10 0 CBAEMO CC[NH+]1CCC(N(C)CC(=O)N2CCNCC2)CC1 ZINC000038031009 174023510 /nfs/dbraw/zinc/02/35/10/174023510.db2.gz VTIZJPCBRQLPFR-UHFFFAOYSA-N 1 1 268.405 -0.166 10 0 CBAEMO Cc1nccc(C[NH2+]CC(=O)N2CCOCC2)n1 ZINC000038038018 174038550 /nfs/dbraw/zinc/03/85/50/174038550.db2.gz AENBDOSJYFLGPC-UHFFFAOYSA-N 1 1 250.302 -0.267 10 0 CBAEMO CCN(CCO)c1nc[nH+]c(NCCOC)c1N ZINC000040736215 174389105 /nfs/dbraw/zinc/38/91/05/174389105.db2.gz WNEZIODJPBJWBY-UHFFFAOYSA-N 1 1 255.322 -0.064 10 0 CBAEMO CN(CCC[NH3+])S(=O)(=O)NC1CCN(C)CC1 ZINC000042525183 174774780 /nfs/dbraw/zinc/77/47/80/174774780.db2.gz YYBUUSXZSVBHPM-UHFFFAOYSA-N 1 1 264.395 -0.804 10 0 CBAEMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)Cn1cc(N)cn1 ZINC000042696991 174844834 /nfs/dbraw/zinc/84/48/34/174844834.db2.gz WENUKRHXVIAROA-LLVKDONJSA-N 1 1 269.349 -0.731 10 0 CBAEMO CN(C)C(=O)CCC[N@H+]1CCCN(CCO)CC1 ZINC000071350538 176133932 /nfs/dbraw/zinc/13/39/32/176133932.db2.gz YKZOOAKSGFGZQQ-UHFFFAOYSA-N 1 1 257.378 -0.145 10 0 CBAEMO CN(C)C(=O)CCCN1CCC[N@H+](CCO)CC1 ZINC000071350538 176133934 /nfs/dbraw/zinc/13/39/34/176133934.db2.gz YKZOOAKSGFGZQQ-UHFFFAOYSA-N 1 1 257.378 -0.145 10 0 CBAEMO CN(C)C(=O)CCCN1CCC[N@@H+](CCO)CC1 ZINC000071350538 176133935 /nfs/dbraw/zinc/13/39/35/176133935.db2.gz YKZOOAKSGFGZQQ-UHFFFAOYSA-N 1 1 257.378 -0.145 10 0 CBAEMO [NH3+]CC[C@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000071582807 176207935 /nfs/dbraw/zinc/20/79/35/176207935.db2.gz YDWGAQWEXZJGSH-STQMWFEESA-N 1 1 257.378 -0.507 10 0 CBAEMO COC(=O)[C@H]([NH3+])Cn1cc(I)cn1 ZINC000070678509 544422867 /nfs/dbraw/zinc/42/28/67/544422867.db2.gz JSMBUKOIJJMORC-ZCFIWIBFSA-N 1 1 295.080 -0.012 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000088370365 544433091 /nfs/dbraw/zinc/43/30/91/544433091.db2.gz MLIRNAIGFHLXNV-STQMWFEESA-N 1 1 283.372 -0.702 10 0 CBAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1COCCN1 ZINC000088370024 544433777 /nfs/dbraw/zinc/43/37/77/544433777.db2.gz GMOFTXGRPWIHHS-PWSUYJOCSA-N 1 1 253.346 -0.425 10 0 CBAEMO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1COCC[NH2+]1 ZINC000227333070 544494682 /nfs/dbraw/zinc/49/46/82/544494682.db2.gz LHWMCONBDMJGAJ-RWMBFGLXSA-N 1 1 262.309 -0.251 10 0 CBAEMO CC[N@@H+](CC(=O)NC[C@H](O)CN1CCOCC1)C1CC1 ZINC000132798088 544462228 /nfs/dbraw/zinc/46/22/28/544462228.db2.gz RURWNEVFNBPAMH-ZDUSSCGKSA-N 1 1 285.388 -0.720 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNc2ccc(C(=O)NC)nn2)C1 ZINC000135496604 544463038 /nfs/dbraw/zinc/46/30/38/544463038.db2.gz RNXFVTSLZFCDJN-JTQLQIEISA-N 1 1 279.344 -0.031 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNc2ccc(C(=O)NC)nn2)C1 ZINC000135496604 544463042 /nfs/dbraw/zinc/46/30/42/544463042.db2.gz RNXFVTSLZFCDJN-JTQLQIEISA-N 1 1 279.344 -0.031 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000155605760 544470164 /nfs/dbraw/zinc/47/01/64/544470164.db2.gz ZEXLMPCETIZKFF-MXWKQRLJSA-N 1 1 296.371 -0.181 10 0 CBAEMO COc1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)ccc1F ZINC000160314301 544473179 /nfs/dbraw/zinc/47/31/79/544473179.db2.gz HRYABAHKTIOWEY-QMMMGPOBSA-N 1 1 255.249 -0.025 10 0 CBAEMO C[C@H]1CN(Cc2nncn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000177215387 544480336 /nfs/dbraw/zinc/48/03/36/544480336.db2.gz MQEABJGBZCCFFJ-RYUDHWBXSA-N 1 1 265.361 -0.032 10 0 CBAEMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245608191 544510466 /nfs/dbraw/zinc/51/04/66/544510466.db2.gz KRQBWCKROQNMFQ-KGLIPLIRSA-N 1 1 299.415 -0.330 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000251456038 544514462 /nfs/dbraw/zinc/51/44/62/544514462.db2.gz UGCLLHILYUHOQK-IJLUTSLNSA-N 1 1 253.346 -0.282 10 0 CBAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](N)CC(N)=O ZINC000261555446 544516595 /nfs/dbraw/zinc/51/65/95/544516595.db2.gz UYWOUFJPJRBGQG-DGCLKSJQSA-N 1 1 292.383 -0.174 10 0 CBAEMO O=C(Cc1[nH]nc2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262210770 544519190 /nfs/dbraw/zinc/51/91/90/544519190.db2.gz ITTHBQZKSIGCOT-ZANVPECISA-N 1 1 274.324 -0.198 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1n[nH]c2ccccc21 ZINC000262369828 544521185 /nfs/dbraw/zinc/52/11/85/544521185.db2.gz VZXDJQBUPMSTOI-KCJUWKMLSA-N 1 1 260.297 -0.127 10 0 CBAEMO CC[N@@H+](C)C[C@H](O)Cn1nc(N)nc1Br ZINC000309027378 544527847 /nfs/dbraw/zinc/52/78/47/544527847.db2.gz YWTHHCOGPCFDPO-LURJTMIESA-N 1 1 278.154 -0.065 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)N(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310758146 544528531 /nfs/dbraw/zinc/52/85/31/544528531.db2.gz AILXNMIIOBDJPI-YNEHKIRRSA-N 1 1 260.378 -0.231 10 0 CBAEMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000037826052 419412018 /nfs/dbraw/zinc/41/20/18/419412018.db2.gz PMDSKWIZEOERQY-LBPRGKRZSA-N 1 1 284.404 -0.232 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000660756988 419435316 /nfs/dbraw/zinc/43/53/16/419435316.db2.gz BTWJLERIVXXBQP-CHWFTXMASA-N 1 1 263.359 -0.499 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000660756988 419435323 /nfs/dbraw/zinc/43/53/23/419435323.db2.gz BTWJLERIVXXBQP-CHWFTXMASA-N 1 1 263.359 -0.499 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000660808744 419439499 /nfs/dbraw/zinc/43/94/99/419439499.db2.gz QPJPFPSZBHPPFV-PJSNJIKXSA-N 1 1 289.397 -0.109 10 0 CBAEMO COCCC[N@@H+](C)CCNC(=O)N1CC(NC(C)=O)C1 ZINC000190210823 419530585 /nfs/dbraw/zinc/53/05/85/419530585.db2.gz MAWNHQIKTAMMML-UHFFFAOYSA-N 1 1 286.376 -0.515 10 0 CBAEMO CCn1ncnc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384448819 544574950 /nfs/dbraw/zinc/57/49/50/544574950.db2.gz ASFJNUIMWVMGQW-NSHDSACASA-N 1 1 253.350 -0.156 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCNC(C)=O)C1 ZINC000194129632 419549258 /nfs/dbraw/zinc/54/92/58/419549258.db2.gz BLHBKIHPEQQRCD-NSHDSACASA-N 1 1 256.350 -0.094 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000392909649 544578769 /nfs/dbraw/zinc/57/87/69/544578769.db2.gz ZJVMRTMVGHMEJV-QJPTWQEYSA-N 1 1 255.362 -0.300 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000392909649 544578774 /nfs/dbraw/zinc/57/87/74/544578774.db2.gz ZJVMRTMVGHMEJV-QJPTWQEYSA-N 1 1 255.362 -0.300 10 0 CBAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194524652 419552424 /nfs/dbraw/zinc/55/24/24/419552424.db2.gz CTACSCSBPIRXBU-QWHCGFSZSA-N 1 1 296.415 -0.488 10 0 CBAEMO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394374145 544578786 /nfs/dbraw/zinc/57/87/86/544578786.db2.gz RRMVOKGKPZJSSH-FRRDWIJNSA-N 1 1 266.389 -0.652 10 0 CBAEMO CS(=O)(=O)NCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195041857 419557781 /nfs/dbraw/zinc/55/77/81/419557781.db2.gz VHPXEPRRVWHCON-NSHDSACASA-N 1 1 289.401 -0.378 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000174952496 419507851 /nfs/dbraw/zinc/50/78/51/419507851.db2.gz FIDMJNFTRZEZAD-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000174952496 419507859 /nfs/dbraw/zinc/50/78/59/419507859.db2.gz FIDMJNFTRZEZAD-KGLIPLIRSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000182039380 419512368 /nfs/dbraw/zinc/51/23/68/419512368.db2.gz POYGDQPWQRLJLH-NEPJUHHUSA-N 1 1 271.361 -0.127 10 0 CBAEMO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394381233 544581059 /nfs/dbraw/zinc/58/10/59/544581059.db2.gz DEGUIMISNRZZDJ-BFHYXJOUSA-N 1 1 280.416 -0.133 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394393301 544581568 /nfs/dbraw/zinc/58/15/68/544581568.db2.gz XWROHXSDAKPXII-MJBXVCDLSA-N 1 1 280.416 -0.119 10 0 CBAEMO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394383243 544582076 /nfs/dbraw/zinc/58/20/76/544582076.db2.gz DEGUIMISNRZZDJ-MELADBBJSA-N 1 1 280.416 -0.133 10 0 CBAEMO C[C@@H]1CCO[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405252900 544589570 /nfs/dbraw/zinc/58/95/70/544589570.db2.gz DUMJRSNBPSEMFM-KXNHARMFSA-N 1 1 254.330 -0.311 10 0 CBAEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(F)(F)CN1 ZINC000662906274 419769382 /nfs/dbraw/zinc/76/93/82/419769382.db2.gz LMQWDBUTAMONON-GHMZBOCLSA-N 1 1 288.342 -0.510 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000344891987 419776292 /nfs/dbraw/zinc/77/62/92/419776292.db2.gz HXHYOCKOMWWEQC-MNOVXSKESA-N 1 1 283.328 0.393 10 0 CBAEMO CO[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000662928644 419779564 /nfs/dbraw/zinc/77/95/64/419779564.db2.gz RRRNIMOJOICELF-GHMZBOCLSA-N 1 1 271.361 -0.099 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000648088433 419724598 /nfs/dbraw/zinc/72/45/98/419724598.db2.gz HWCRGPMSCBXSPO-YUMQZZPRSA-N 1 1 268.235 -0.236 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@](C)(C(F)F)O1 ZINC000663004554 419807785 /nfs/dbraw/zinc/80/77/85/419807785.db2.gz MXWAPXTYBIINEP-AMXGMDGSSA-N 1 1 279.287 -0.540 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662954117 419793968 /nfs/dbraw/zinc/79/39/68/419793968.db2.gz LJQJQXMBNPRFFO-BQBZGAKWSA-N 1 1 283.250 -0.631 10 0 CBAEMO O=C([C@@H]1C[NH2+]CCOC1)N1CCN(C2CCC2)CC1 ZINC000649334099 419894626 /nfs/dbraw/zinc/89/46/26/419894626.db2.gz JECLFJNSICDVER-GFCCVEGCSA-N 1 1 267.373 -0.081 10 0 CBAEMO Cc1nnc(CC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[nH]1 ZINC000669322630 544746506 /nfs/dbraw/zinc/74/65/06/544746506.db2.gz YIULSTIUWIPWCL-CMPLNLGQSA-N 1 1 293.371 -0.165 10 0 CBAEMO Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)[nH]1 ZINC000669322633 544746590 /nfs/dbraw/zinc/74/65/90/544746590.db2.gz YIULSTIUWIPWCL-PWSUYJOCSA-N 1 1 293.371 -0.165 10 0 CBAEMO Cc1nnc(CC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)[nH]1 ZINC000669322632 544746685 /nfs/dbraw/zinc/74/66/85/544746685.db2.gz YIULSTIUWIPWCL-JQWIXIFHSA-N 1 1 293.371 -0.165 10 0 CBAEMO O=C(CC[N@@H+]1C[C@@H](F)C[C@H]1CO)N1CCOCC1 ZINC000364620269 420043152 /nfs/dbraw/zinc/04/31/52/420043152.db2.gz CRCTZINAGPWVBN-QWRGUYRKSA-N 1 1 260.309 -0.360 10 0 CBAEMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367490603 420108327 /nfs/dbraw/zinc/10/83/27/420108327.db2.gz VONVLYNHUBSMLT-IUODEOHRSA-N 1 1 297.399 -0.054 10 0 CBAEMO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCNCC1 ZINC000653043344 420109129 /nfs/dbraw/zinc/10/91/29/420109129.db2.gz PQWZENPSVBKQKB-HTQZYQBOSA-N 1 1 251.252 -0.184 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CN(C)CCO1 ZINC000653552640 420149849 /nfs/dbraw/zinc/14/98/49/420149849.db2.gz ZYAMYVDICVWCCG-KBPBESRZSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000653552640 420149851 /nfs/dbraw/zinc/14/98/51/420149851.db2.gz ZYAMYVDICVWCCG-KBPBESRZSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000653552640 420149855 /nfs/dbraw/zinc/14/98/55/420149855.db2.gz ZYAMYVDICVWCCG-KBPBESRZSA-N 1 1 289.420 -0.812 10 0 CBAEMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000370533165 420179915 /nfs/dbraw/zinc/17/99/15/420179915.db2.gz JHWXHFCDRIRQQD-IINYFYTJSA-N 1 1 283.372 -0.254 10 0 CBAEMO c1nc2c(ncnc2N2CC[C@H]3OCC[NH2+][C@@H]3C2)[nH]1 ZINC000404226325 420223617 /nfs/dbraw/zinc/22/36/17/420223617.db2.gz NPDPKXQZPCBYPD-RKDXNWHRSA-N 1 1 260.301 -0.080 10 0 CBAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000399150941 420218107 /nfs/dbraw/zinc/21/81/07/420218107.db2.gz GAXXUTFUFQLVFB-RYUDHWBXSA-N 1 1 255.362 -0.394 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000398764903 420219279 /nfs/dbraw/zinc/21/92/79/420219279.db2.gz BNXNVSUAQIYXOH-IHRRRGAJSA-N 1 1 281.400 -0.147 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000657607598 420360411 /nfs/dbraw/zinc/36/04/11/420360411.db2.gz ZPWZXKUJLXSQRZ-GHMZBOCLSA-N 1 1 273.358 -0.370 10 0 CBAEMO O[C@@H](COCc1ccccc1)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674464808 544907137 /nfs/dbraw/zinc/90/71/37/544907137.db2.gz KRBUITRFOAVCTH-QLFBSQMISA-N 1 1 281.352 -0.008 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000286045704 230209936 /nfs/dbraw/zinc/20/99/36/230209936.db2.gz FCZXEQZTCMDQME-HNNXBMFYSA-N 1 1 291.351 -0.385 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000286045704 230209941 /nfs/dbraw/zinc/20/99/41/230209941.db2.gz FCZXEQZTCMDQME-HNNXBMFYSA-N 1 1 291.351 -0.385 10 0 CBAEMO CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659870169 420473400 /nfs/dbraw/zinc/47/34/00/420473400.db2.gz DEXHUKWVSYFTPP-GMTAPVOTSA-N 1 1 262.375 -0.087 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659900395 420475280 /nfs/dbraw/zinc/47/52/80/420475280.db2.gz ILDDXHDEXAUKOT-GRYCIOLGSA-N 1 1 274.386 -0.422 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000659900395 420475283 /nfs/dbraw/zinc/47/52/83/420475283.db2.gz ILDDXHDEXAUKOT-GRYCIOLGSA-N 1 1 274.386 -0.422 10 0 CBAEMO COC[C@@H](O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171973409 335087282 /nfs/dbraw/zinc/08/72/82/335087282.db2.gz RWRMFQKUJMENAZ-STQMWFEESA-N 1 1 269.345 -0.100 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171973409 335087284 /nfs/dbraw/zinc/08/72/84/335087284.db2.gz RWRMFQKUJMENAZ-STQMWFEESA-N 1 1 269.345 -0.100 10 0 CBAEMO CCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246222679 276258290 /nfs/dbraw/zinc/25/82/90/276258290.db2.gz ZRRWVLPVVMKEQT-RYUDHWBXSA-N 1 1 255.362 -0.225 10 0 CBAEMO O=C1C[C@@H]([NH+]2CCN(CCO)CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263246 545083816 /nfs/dbraw/zinc/08/38/16/545083816.db2.gz ZFYHWCLAIUTKQV-UWVGGRQHSA-N 1 1 295.305 -0.194 10 0 CBAEMO C[C@H]1C[NH2+]CC2(CCN(C(=O)CN(C)C)CC2)O1 ZINC000725272417 545083933 /nfs/dbraw/zinc/08/39/33/545083933.db2.gz PZKIFAGXTCBSLW-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088370858 277057470 /nfs/dbraw/zinc/05/74/70/277057470.db2.gz SGAFKAYBGNLPOS-WDEREUQCSA-N 1 1 255.318 -0.898 10 0 CBAEMO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](O)(C(N)=O)C1 ZINC000367489392 277077907 /nfs/dbraw/zinc/07/79/07/277077907.db2.gz LVHLERCVAANDOW-AAEUAGOBSA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@H+]1CCC[C@H]1CCN1CCC[C@@](O)(C(N)=O)C1 ZINC000367489392 277077910 /nfs/dbraw/zinc/07/79/10/277077910.db2.gz LVHLERCVAANDOW-AAEUAGOBSA-N 1 1 255.362 -0.217 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@H]1C ZINC000247330523 277224300 /nfs/dbraw/zinc/22/43/00/277224300.db2.gz JEMYJJFGKICPMR-NEPJUHHUSA-N 1 1 298.387 -0.421 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)C[C@H]1C ZINC000247330523 277224301 /nfs/dbraw/zinc/22/43/01/277224301.db2.gz JEMYJJFGKICPMR-NEPJUHHUSA-N 1 1 298.387 -0.421 10 0 CBAEMO CC(C)N(C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1)C(C)C ZINC000312598332 279279655 /nfs/dbraw/zinc/27/96/55/279279655.db2.gz FKPGNQOUMXIRMB-AWEZNQCLSA-N 1 1 285.388 -0.056 10 0 CBAEMO O=C1N(CCO)CCC[C@@]12CC[N@@H+](Cc1c[nH]nn1)C2 ZINC000091678060 280276104 /nfs/dbraw/zinc/27/61/04/280276104.db2.gz WLVXZBFNPOQUNY-ZDUSSCGKSA-N 1 1 279.344 -0.389 10 0 CBAEMO CC[C@@H]1CN(C(=O)CC[NH2+]C)CCN1C[C@H](C)O ZINC000262336119 280348682 /nfs/dbraw/zinc/34/86/82/280348682.db2.gz HGRUBNLQNBOTKA-NWDGAFQWSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CCN1C[C@@H](C)O ZINC000262824532 280352111 /nfs/dbraw/zinc/35/21/11/280352111.db2.gz XWNBSOVJLISDCA-JHJVBQTASA-N 1 1 287.404 -0.346 10 0 CBAEMO CC[C@H]1CN(CC(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000247393985 281161068 /nfs/dbraw/zinc/16/10/68/281161068.db2.gz XNARNMGKCRZCGW-RYUDHWBXSA-N 1 1 257.378 -0.148 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNC(N)=O ZINC000113445009 288301338 /nfs/dbraw/zinc/30/13/38/288301338.db2.gz FSQOAISEQMTFOC-NXEZZACHSA-N 1 1 254.334 -0.260 10 0 CBAEMO CC[C@H]1CN(CCN2C(=O)CCC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105826982 281167681 /nfs/dbraw/zinc/16/76/81/281167681.db2.gz OEAXMTKVTNSANY-OLZOCXBDSA-N 1 1 297.399 -0.088 10 0 CBAEMO C[NH+](C)CCOC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000040168365 289164928 /nfs/dbraw/zinc/16/49/28/289164928.db2.gz NZKBBRURIPCJCE-SNVBAGLBSA-N 1 1 264.347 -0.149 10 0 CBAEMO C[C@H](C(=O)N(C)C)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247057471 289243530 /nfs/dbraw/zinc/24/35/30/289243530.db2.gz FQOXUABERQDFGS-GRYCIOLGSA-N 1 1 257.378 -0.150 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCS(N)(=O)=O ZINC000172080762 297095995 /nfs/dbraw/zinc/09/59/95/297095995.db2.gz UMBTXMPURSWOEV-GHMZBOCLSA-N 1 1 261.391 -0.167 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000395193810 329279011 /nfs/dbraw/zinc/27/90/11/329279011.db2.gz XKOZCKUIICTLHY-RWMBFGLXSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1C ZINC000395193810 329279013 /nfs/dbraw/zinc/27/90/13/329279013.db2.gz XKOZCKUIICTLHY-RWMBFGLXSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1C ZINC000395193810 329279015 /nfs/dbraw/zinc/27/90/15/329279015.db2.gz XKOZCKUIICTLHY-RWMBFGLXSA-N 1 1 260.378 -0.229 10 0 CBAEMO CC(C)(C(=O)N1CCc2[nH]nnc2C1)N1CC[NH2+]CC1 ZINC000396867376 329318100 /nfs/dbraw/zinc/31/81/00/329318100.db2.gz ZGSOKWHRBWRNAL-UHFFFAOYSA-N 1 1 278.360 -0.627 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000177036388 335355210 /nfs/dbraw/zinc/35/52/10/335355210.db2.gz KVRRMEDTLXEDJG-MNOVXSKESA-N 1 1 291.417 -0.133 10 0 CBAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000384847420 336132811 /nfs/dbraw/zinc/13/28/11/336132811.db2.gz AVDNFZWTLNTASF-WPRPVWTQSA-N 1 1 255.318 -0.180 10 0 CBAEMO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862579 336133157 /nfs/dbraw/zinc/13/31/57/336133157.db2.gz DQTNHDWTEURSIK-VXGBXAGGSA-N 1 1 255.362 -0.394 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384986566 336135500 /nfs/dbraw/zinc/13/55/00/336135500.db2.gz ZUTXIFRPIPZKJH-NEPJUHHUSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000384986566 336135502 /nfs/dbraw/zinc/13/55/02/336135502.db2.gz ZUTXIFRPIPZKJH-NEPJUHHUSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCOC(=O)[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000049373091 521022239 /nfs/dbraw/zinc/02/22/39/521022239.db2.gz ARMBKZLXBKGQRK-GHMZBOCLSA-N 1 1 260.334 -0.779 10 0 CBAEMO CCOC(=O)[C@@H]([NH3+])CCN1CCn2ccnc2C1 ZINC000062534188 521071872 /nfs/dbraw/zinc/07/18/72/521071872.db2.gz RYEZXJAIYULVBO-JTQLQIEISA-N 1 1 252.318 -0.021 10 0 CBAEMO CC[NH2+][C@@H](C)CC(=O)NCCN1CCN(C)CC1 ZINC000061271463 520063173 /nfs/dbraw/zinc/06/31/73/520063173.db2.gz CDBLAVRIQNTUER-LBPRGKRZSA-N 1 1 256.394 -0.262 10 0 CBAEMO CCNc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cn1 ZINC000050673578 520370514 /nfs/dbraw/zinc/37/05/14/520370514.db2.gz ADMBFSYYHSOVSF-SECBINFHSA-N 1 1 285.373 -0.109 10 0 CBAEMO CCNc1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000050673578 520370520 /nfs/dbraw/zinc/37/05/20/520370520.db2.gz ADMBFSYYHSOVSF-SECBINFHSA-N 1 1 285.373 -0.109 10 0 CBAEMO C[NH+](C)CCN1CCN(C(=O)N2CCNCC2)CC1 ZINC000061643272 521761463 /nfs/dbraw/zinc/76/14/63/521761463.db2.gz YWUDDEVTPLTGRB-UHFFFAOYSA-N 1 1 269.393 -0.809 10 0 CBAEMO COCCCNC(=O)CN[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567394 523329575 /nfs/dbraw/zinc/32/95/75/523329575.db2.gz YRCAHUUGAYODEL-VXGBXAGGSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCCNC(=O)CN[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567394 523329582 /nfs/dbraw/zinc/32/95/82/523329582.db2.gz YRCAHUUGAYODEL-VXGBXAGGSA-N 1 1 255.362 -0.035 10 0 CBAEMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)NCC(N)=S)CC1 ZINC000055080347 523947985 /nfs/dbraw/zinc/94/79/85/523947985.db2.gz STJSIKVSIPKXHW-VIFPVBQESA-N 1 1 286.401 -0.669 10 0 CBAEMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050673596 523988528 /nfs/dbraw/zinc/98/85/28/523988528.db2.gz FYCLSIRFAVXDGO-QMMMGPOBSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050673596 523988532 /nfs/dbraw/zinc/98/85/32/523988532.db2.gz FYCLSIRFAVXDGO-QMMMGPOBSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[NH+](C)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2N)CC1 ZINC000054493038 524040783 /nfs/dbraw/zinc/04/07/83/524040783.db2.gz ASQPDFBOLXZGHA-QWRGUYRKSA-N 1 1 261.391 -0.863 10 0 CBAEMO C[NH+](C)C1CCN([C@@H]2CS(=O)(=O)C[C@H]2N)CC1 ZINC000054493040 524040939 /nfs/dbraw/zinc/04/09/39/524040939.db2.gz ASQPDFBOLXZGHA-GHMZBOCLSA-N 1 1 261.391 -0.863 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568002 524078204 /nfs/dbraw/zinc/07/82/04/524078204.db2.gz FPFXRNPJEXKGFW-LPEHRKFASA-N 1 1 254.334 -0.343 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568002 524078205 /nfs/dbraw/zinc/07/82/05/524078205.db2.gz FPFXRNPJEXKGFW-LPEHRKFASA-N 1 1 254.334 -0.343 10 0 CBAEMO C[C@H](Cc1ccsc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000049185113 524759199 /nfs/dbraw/zinc/75/91/99/524759199.db2.gz UUKTVCQUPNYDCU-VXNVDRBHSA-N 1 1 255.343 -0.002 10 0 CBAEMO O=C(CN[C@H]1CC[N@@H+]2CCC[C@@H]12)N1CCOCC1 ZINC000049568369 526891961 /nfs/dbraw/zinc/89/19/61/526891961.db2.gz ZQYAFQMVYZSSFU-RYUDHWBXSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(CN[C@H]1CC[N@H+]2CCC[C@@H]12)N1CCOCC1 ZINC000049568369 526891965 /nfs/dbraw/zinc/89/19/65/526891965.db2.gz ZQYAFQMVYZSSFU-RYUDHWBXSA-N 1 1 253.346 -0.329 10 0 CBAEMO Nc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000055166604 527544323 /nfs/dbraw/zinc/54/43/23/527544323.db2.gz RSRBDJNBTVVSBL-SSDOTTSWSA-N 1 1 250.306 -0.399 10 0 CBAEMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000126184891 529036636 /nfs/dbraw/zinc/03/66/36/529036636.db2.gz HQOVMRUAUXFQDF-JSGCOSHPSA-N 1 1 296.415 -0.217 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000376674765 529228276 /nfs/dbraw/zinc/22/82/76/529228276.db2.gz VZCCZQLHLGTJSE-DOMZBBRYSA-N 1 1 297.399 -0.182 10 0 CBAEMO COC(=O)CC[C@@H]([NH3+])c1nc(N2CC[C@@H](CO)C2)no1 ZINC000757120762 582304991 /nfs/dbraw/zinc/30/49/91/582304991.db2.gz IDYWQQSZNXADAN-RKDXNWHRSA-N 1 1 284.316 -0.159 10 0 CBAEMO O=S1(=O)CC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757138834 582305120 /nfs/dbraw/zinc/30/51/20/582305120.db2.gz DLZACENJKUIDJB-NSHDSACASA-N 1 1 261.343 -0.082 10 0 CBAEMO C[N@H+]1CCC[C@@]2(CC1)NC[C@]1(COCCN1)CO2 ZINC000757145398 582305153 /nfs/dbraw/zinc/30/51/53/582305153.db2.gz OTMQEELRQIOLIY-QWHCGFSZSA-N 1 1 255.362 -0.223 10 0 CBAEMO COC(=O)CCc1nc([C@@]2(N)CC[N@H+](C)C2)no1 ZINC000757183288 582305307 /nfs/dbraw/zinc/30/53/07/582305307.db2.gz NJIYOAAYMRIOKU-LLVKDONJSA-N 1 1 254.290 -0.335 10 0 CBAEMO COC(=O)CCc1nc([C@@]2(N)CC[N@@H+](C)C2)no1 ZINC000757183288 582305308 /nfs/dbraw/zinc/30/53/08/582305308.db2.gz NJIYOAAYMRIOKU-LLVKDONJSA-N 1 1 254.290 -0.335 10 0 CBAEMO COC(=O)CCc1nc([C@@]2([NH3+])CCN(C)C2)no1 ZINC000757183288 582305309 /nfs/dbraw/zinc/30/53/09/582305309.db2.gz NJIYOAAYMRIOKU-LLVKDONJSA-N 1 1 254.290 -0.335 10 0 CBAEMO NS(=O)(=O)C[C@H]1OC(=O)C[C@]12C[NH+]1CCC2CC1 ZINC000757216181 582305364 /nfs/dbraw/zinc/30/53/64/582305364.db2.gz GWFWCDBCBPJITA-MWLCHTKSSA-N 1 1 274.342 -0.698 10 0 CBAEMO CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CC(N)=O)C1 ZINC000886077737 584430730 /nfs/dbraw/zinc/43/07/30/584430730.db2.gz DQRNSGFQOMASQT-AXFHLTTASA-N 1 1 269.345 -0.380 10 0 CBAEMO Cc1n[nH]nc1NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000898745433 584741284 /nfs/dbraw/zinc/74/12/84/584741284.db2.gz RTHRQFOAEVSPAH-DTWKUNHWSA-N 1 1 251.290 -0.085 10 0 CBAEMO Cc1n[nH]nc1NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000898745432 584741363 /nfs/dbraw/zinc/74/13/63/584741363.db2.gz RTHRQFOAEVSPAH-BDAKNGLRSA-N 1 1 251.290 -0.085 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900601830 584815085 /nfs/dbraw/zinc/81/50/85/584815085.db2.gz PBONLXQODHASSP-GHMZBOCLSA-N 1 1 274.361 -0.967 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)O)CC[N@H+]1C[C@@H](C)O ZINC000900866345 584830704 /nfs/dbraw/zinc/83/07/04/584830704.db2.gz FFHQAARUPHMEEK-UTUOFQBUSA-N 1 1 288.388 -0.578 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000929648033 659157084 /nfs/dbraw/zinc/15/70/84/659157084.db2.gz MANKCEHZZCJFIC-TUAOUCFPSA-N 1 1 254.334 -0.268 10 0 CBAEMO COCc1ccccc1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037762933 656002883 /nfs/dbraw/zinc/00/28/83/656002883.db2.gz XXAJEGATEXDHKN-NSHDSACASA-N 1 1 265.313 -0.348 10 0 CBAEMO C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCO2 ZINC000037628038 656003444 /nfs/dbraw/zinc/00/34/44/656003444.db2.gz YKVCUFLZOGBWFH-VXNVDRBHSA-N 1 1 279.296 -0.205 10 0 CBAEMO COC(=O)c1ccc(C)c(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037655178 656003449 /nfs/dbraw/zinc/00/34/49/656003449.db2.gz JNTXCTOGYVMWBI-SECBINFHSA-N 1 1 279.296 -0.077 10 0 CBAEMO COc1ccc(OC)c(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000040856875 656005931 /nfs/dbraw/zinc/00/59/31/656005931.db2.gz CPWXSKLXUIXCMN-SNVBAGLBSA-N 1 1 281.312 -0.477 10 0 CBAEMO COc1cccc(CCNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000083481566 656050531 /nfs/dbraw/zinc/05/05/31/656050531.db2.gz KPGZFYKLMYJZCM-NSHDSACASA-N 1 1 265.313 -0.443 10 0 CBAEMO CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088371013 656053150 /nfs/dbraw/zinc/05/31/50/656053150.db2.gz ZCOKRGXZWIJFEL-QWRGUYRKSA-N 1 1 285.344 -0.288 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996794 656061919 /nfs/dbraw/zinc/06/19/19/656061919.db2.gz WJABKAYGCSGQIT-VHSXEESVSA-N 1 1 285.344 -0.037 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C ZINC000094996227 656062036 /nfs/dbraw/zinc/06/20/36/656062036.db2.gz BIDQZVKJIYLKEY-QWRGUYRKSA-N 1 1 270.329 -0.414 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000095015418 656062291 /nfs/dbraw/zinc/06/22/91/656062291.db2.gz MNOHAQBYGTZCBJ-MNOVXSKESA-N 1 1 272.345 -0.120 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CN1C(=O)C(=O)N(C)C1=O ZINC000153196438 656071503 /nfs/dbraw/zinc/07/15/03/656071503.db2.gz GSZHMHMEBQAATH-VHSXEESVSA-N 1 1 280.328 -0.467 10 0 CBAEMO COC(=O)[C@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000181376840 656092141 /nfs/dbraw/zinc/09/21/41/656092141.db2.gz WOORXCGSYTVVIG-NWDGAFQWSA-N 1 1 281.356 -0.255 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CO ZINC000190900177 656099944 /nfs/dbraw/zinc/09/99/44/656099944.db2.gz LRLPSZHOBDEXRN-UTUOFQBUSA-N 1 1 256.346 -0.206 10 0 CBAEMO CNC(=O)NC(=O)CC[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227750736 656108763 /nfs/dbraw/zinc/10/87/63/656108763.db2.gz OWYPIIBMSTXWAG-DTWKUNHWSA-N 1 1 271.317 -0.427 10 0 CBAEMO CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000227806636 656108869 /nfs/dbraw/zinc/10/88/69/656108869.db2.gz RTNKWTLFZWBYGT-DJLDLDEBSA-N 1 1 259.375 -0.021 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000246854195 656119025 /nfs/dbraw/zinc/11/90/25/656119025.db2.gz FCTKRSLQKDEMJB-UONOGXRCSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000246854195 656119030 /nfs/dbraw/zinc/11/90/30/656119030.db2.gz FCTKRSLQKDEMJB-UONOGXRCSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=COCCO2)C[C@@H]1C ZINC000246787350 656119069 /nfs/dbraw/zinc/11/90/69/656119069.db2.gz QLEVWXICVOSGAI-QWRGUYRKSA-N 1 1 270.329 -0.212 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=COCCO2)C[C@@H]1C ZINC000246787350 656119072 /nfs/dbraw/zinc/11/90/72/656119072.db2.gz QLEVWXICVOSGAI-QWRGUYRKSA-N 1 1 270.329 -0.212 10 0 CBAEMO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000251464581 656122614 /nfs/dbraw/zinc/12/26/14/656122614.db2.gz VDUXXRLXKXAPOV-RYUDHWBXSA-N 1 1 273.402 -0.152 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CCO1 ZINC000252893683 656123842 /nfs/dbraw/zinc/12/38/42/656123842.db2.gz RHZSGNZOMSPWDW-VXGBXAGGSA-N 1 1 256.346 -0.062 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000262235253 656129779 /nfs/dbraw/zinc/12/97/79/656129779.db2.gz KMGOWUYDBRABFF-ZJUUUORDSA-N 1 1 292.401 -0.307 10 0 CBAEMO COCCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1C ZINC000262285552 656131075 /nfs/dbraw/zinc/13/10/75/656131075.db2.gz OGNOELFQLBJJLP-UPJWGTAASA-N 1 1 285.388 -0.458 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CCN1C[C@H](C)O ZINC000262429287 656132183 /nfs/dbraw/zinc/13/21/83/656132183.db2.gz STIMFBXWSGSENA-GRYCIOLGSA-N 1 1 257.378 -0.115 10 0 CBAEMO COC(=O)/C(C)=C\C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310938004 656145257 /nfs/dbraw/zinc/14/52/57/656145257.db2.gz VJCVQSHSGHXGHJ-TWLAMCEISA-N 1 1 256.302 -0.582 10 0 CBAEMO O=S(=O)(c1ccns1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000717686429 656229175 /nfs/dbraw/zinc/22/91/75/656229175.db2.gz BYSGRABXTXXCCY-IUCAKERBSA-N 1 1 289.382 -0.106 10 0 CBAEMO O=S(=O)(c1ccns1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000717686431 656229313 /nfs/dbraw/zinc/22/93/13/656229313.db2.gz BYSGRABXTXXCCY-RKDXNWHRSA-N 1 1 289.382 -0.106 10 0 CBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H](O)C(C)(C)O ZINC000908367041 656712567 /nfs/dbraw/zinc/71/25/67/656712567.db2.gz WKQDJTRXIIRFEO-MXWKQRLJSA-N 1 1 274.361 -0.968 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)C1 ZINC000909172138 656791102 /nfs/dbraw/zinc/79/11/02/656791102.db2.gz QSFQGSOADRJPLM-NDBYEHHHSA-N 1 1 294.355 -0.606 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)C1 ZINC000909172138 656791107 /nfs/dbraw/zinc/79/11/07/656791107.db2.gz QSFQGSOADRJPLM-NDBYEHHHSA-N 1 1 294.355 -0.606 10 0 CBAEMO C[C@H]1CN(C)C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)O1 ZINC000912598767 657290121 /nfs/dbraw/zinc/29/01/21/657290121.db2.gz GCTFLHBVLUOSQH-NWDGAFQWSA-N 1 1 273.377 -0.912 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)C[C@@]2(C)CO)O1 ZINC000912653549 657305945 /nfs/dbraw/zinc/30/59/45/657305945.db2.gz JUQXQXYGCQOBQE-XZUYRWCXSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)C[C@@]2(C)CO)O1 ZINC000912653549 657305950 /nfs/dbraw/zinc/30/59/50/657305950.db2.gz JUQXQXYGCQOBQE-XZUYRWCXSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)C[C@]2(C)CO)O1 ZINC000912653546 657306548 /nfs/dbraw/zinc/30/65/48/657306548.db2.gz JUQXQXYGCQOBQE-LSCVPOLPSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)C[C@]2(C)CO)O1 ZINC000912653546 657306552 /nfs/dbraw/zinc/30/65/52/657306552.db2.gz JUQXQXYGCQOBQE-LSCVPOLPSA-N 1 1 272.345 -0.950 10 0 CBAEMO CN(C)S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099725 282158922 /nfs/dbraw/zinc/15/89/22/282158922.db2.gz MVCYBZOSXJOZQI-LLVKDONJSA-N 1 1 277.390 -0.676 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000128167486 187355231 /nfs/dbraw/zinc/35/52/31/187355231.db2.gz JAKOHHOKZOMLLN-LBPRGKRZSA-N 1 1 255.362 -0.535 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085365392 179036652 /nfs/dbraw/zinc/03/66/52/179036652.db2.gz NPYWGCMVYCHUSA-VXGBXAGGSA-N 1 1 254.378 -0.523 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798154 186071536 /nfs/dbraw/zinc/07/15/36/186071536.db2.gz UKBZSODNIUUPID-SNVBAGLBSA-N 1 1 292.343 -0.428 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798154 186071538 /nfs/dbraw/zinc/07/15/38/186071538.db2.gz UKBZSODNIUUPID-SNVBAGLBSA-N 1 1 292.343 -0.428 10 0 CBAEMO Cc1ccc(N2CCC[N@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC000105800787 186072607 /nfs/dbraw/zinc/07/26/07/186072607.db2.gz KREHNCKADULQGR-UHFFFAOYSA-N 1 1 292.343 -0.508 10 0 CBAEMO Cc1ccc(N2CCC[N@@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC000105800787 186072610 /nfs/dbraw/zinc/07/26/10/186072610.db2.gz KREHNCKADULQGR-UHFFFAOYSA-N 1 1 292.343 -0.508 10 0 CBAEMO C[C@H](C(N)=O)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868970 186080499 /nfs/dbraw/zinc/08/04/99/186080499.db2.gz JGVUWPAANHKQGI-LLVKDONJSA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@H](C(N)=O)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868970 186080500 /nfs/dbraw/zinc/08/05/00/186080500.db2.gz JGVUWPAANHKQGI-LLVKDONJSA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@H](C(N)=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105868970 186080502 /nfs/dbraw/zinc/08/05/02/186080502.db2.gz JGVUWPAANHKQGI-LLVKDONJSA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@H](C(N)=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105868970 186080503 /nfs/dbraw/zinc/08/05/03/186080503.db2.gz JGVUWPAANHKQGI-LLVKDONJSA-N 1 1 265.361 -0.198 10 0 CBAEMO Cn1cc(C[N@@H+]2CCCN(CC(N)=O)CC2)cn1 ZINC000105869160 186081376 /nfs/dbraw/zinc/08/13/76/186081376.db2.gz RJNRLHBXUYENSS-UHFFFAOYSA-N 1 1 251.334 -0.587 10 0 CBAEMO Cn1cc(C[N@H+]2CCCN(CC(N)=O)CC2)cn1 ZINC000105869160 186081378 /nfs/dbraw/zinc/08/13/78/186081378.db2.gz RJNRLHBXUYENSS-UHFFFAOYSA-N 1 1 251.334 -0.587 10 0 CBAEMO Cn1cc(CN2CCC[N@H+](CC(N)=O)CC2)cn1 ZINC000105869160 186081379 /nfs/dbraw/zinc/08/13/79/186081379.db2.gz RJNRLHBXUYENSS-UHFFFAOYSA-N 1 1 251.334 -0.587 10 0 CBAEMO Cn1cc(CN2CCC[N@@H+](CC(N)=O)CC2)cn1 ZINC000105869160 186081381 /nfs/dbraw/zinc/08/13/81/186081381.db2.gz RJNRLHBXUYENSS-UHFFFAOYSA-N 1 1 251.334 -0.587 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(N)=O)C[C@@H]1CC ZINC000105837616 186075191 /nfs/dbraw/zinc/07/51/91/186075191.db2.gz FUDXQCCEIXISMF-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO COCC[N@H+]1CCN(CCN2C(=O)CCC2=O)C[C@H]1C ZINC000105833620 186075534 /nfs/dbraw/zinc/07/55/34/186075534.db2.gz DUEKUAVYWXBGLM-GFCCVEGCSA-N 1 1 283.372 -0.212 10 0 CBAEMO COCC[N@H+]1CCN(CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105834083 186075651 /nfs/dbraw/zinc/07/56/51/186075651.db2.gz BWZYKXFFCLMZLG-LBPRGKRZSA-N 1 1 298.387 -0.419 10 0 CBAEMO COCCN1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105834083 186075653 /nfs/dbraw/zinc/07/56/53/186075653.db2.gz BWZYKXFFCLMZLG-LBPRGKRZSA-N 1 1 298.387 -0.419 10 0 CBAEMO COCCN1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105834083 186075655 /nfs/dbraw/zinc/07/56/55/186075655.db2.gz BWZYKXFFCLMZLG-LBPRGKRZSA-N 1 1 298.387 -0.419 10 0 CBAEMO CC[C@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC000105835954 186076131 /nfs/dbraw/zinc/07/61/31/186076131.db2.gz FTLLFNHTVNIHHO-AWEZNQCLSA-N 1 1 299.415 -0.112 10 0 CBAEMO CCC[C@@H](C(=O)N1CCN(C(=O)CN(C)C)CC1)[NH+](C)C ZINC000135022546 282719409 /nfs/dbraw/zinc/71/94/09/282719409.db2.gz XZTOSMJOLCMGMP-ZDUSSCGKSA-N 1 1 298.431 -0.051 10 0 CBAEMO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000034937539 351386136 /nfs/dbraw/zinc/38/61/36/351386136.db2.gz DHQBGEWLGYLHOQ-NXEZZACHSA-N 1 1 262.375 -0.076 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(N)n2)C1 ZINC000040501725 351415154 /nfs/dbraw/zinc/41/51/54/351415154.db2.gz NWQJZZDBKNCWTF-SECBINFHSA-N 1 1 252.322 -0.539 10 0 CBAEMO CC[NH+]1CCN(c2nc(N)c(C=O)c(=O)[nH]2)CC1 ZINC000072416229 351647275 /nfs/dbraw/zinc/64/72/75/351647275.db2.gz HGANVQVKBWZBSS-UHFFFAOYSA-N 1 1 251.290 -0.694 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521720 351693165 /nfs/dbraw/zinc/69/31/65/351693165.db2.gz KFEUDJNPYXFNCO-WCQYABFASA-N 1 1 254.378 -0.510 10 0 CBAEMO CN1CCO[C@H](CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000091669417 351745703 /nfs/dbraw/zinc/74/57/03/351745703.db2.gz NGPVFSRVZSKLDK-MRVPVSSYSA-N 1 1 270.358 -0.338 10 0 CBAEMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802726 351792261 /nfs/dbraw/zinc/79/22/61/351792261.db2.gz QGCMRKMUQRTOJA-SNVBAGLBSA-N 1 1 292.343 -0.428 10 0 CBAEMO CC[C@@H]1CN(CCC(=O)NC(N)=O)CC[N@H+]1CCOC ZINC000105903092 351793209 /nfs/dbraw/zinc/79/32/09/351793209.db2.gz ATNZSTNQSLEJAB-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CCN1CCOC ZINC000105903092 351793210 /nfs/dbraw/zinc/79/32/10/351793210.db2.gz ATNZSTNQSLEJAB-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)CCN1CCOC ZINC000105903092 351793211 /nfs/dbraw/zinc/79/32/11/351793211.db2.gz ATNZSTNQSLEJAB-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CCC[N@H+](CC(=O)N(C)C)C[C@H](O)CN1CCCC1=O ZINC000111684799 351804980 /nfs/dbraw/zinc/80/49/80/351804980.db2.gz NBDLMELAPAHYBD-LBPRGKRZSA-N 1 1 285.388 -0.230 10 0 CBAEMO CC[N@@H+](CCC(=O)OC)C[C@@H](O)CN1CCCC1=O ZINC000111685743 351805020 /nfs/dbraw/zinc/80/50/20/351805020.db2.gz QVWDRFDOQPSJRE-LLVKDONJSA-N 1 1 272.345 -0.145 10 0 CBAEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC000116310962 351821253 /nfs/dbraw/zinc/82/12/53/351821253.db2.gz CLBJLSHDMSZIDK-LLVKDONJSA-N 1 1 291.355 -0.832 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC000116310962 351821258 /nfs/dbraw/zinc/82/12/58/351821258.db2.gz CLBJLSHDMSZIDK-LLVKDONJSA-N 1 1 291.355 -0.832 10 0 CBAEMO COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116321358 351821877 /nfs/dbraw/zinc/82/18/77/351821877.db2.gz PIMNSRHBHOHDPF-LLVKDONJSA-N 1 1 294.355 -0.111 10 0 CBAEMO C[NH+](C)C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000116789057 351822178 /nfs/dbraw/zinc/82/21/78/351822178.db2.gz LUHFYNHTLUKSEI-LLVKDONJSA-N 1 1 292.401 -0.400 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112748188 351811209 /nfs/dbraw/zinc/81/12/09/351811209.db2.gz WFZPNWJSJALINK-NSHDSACASA-N 1 1 296.375 -0.530 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000113231554 351812890 /nfs/dbraw/zinc/81/28/90/351812890.db2.gz RQQUFWYPZCELAN-GHMZBOCLSA-N 1 1 289.401 -0.427 10 0 CBAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000154945608 351948081 /nfs/dbraw/zinc/94/80/81/351948081.db2.gz OMGAKXKWJXIDRW-SNVBAGLBSA-N 1 1 267.329 -0.312 10 0 CBAEMO C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)C[NH+]1CCOCC1 ZINC000150717854 351931402 /nfs/dbraw/zinc/93/14/02/351931402.db2.gz NZFGBARQYKAZAT-WDEREUQCSA-N 1 1 269.345 -0.793 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000131856905 351888987 /nfs/dbraw/zinc/88/89/87/351888987.db2.gz WEXWDQYLCBFOAH-MNOVXSKESA-N 1 1 268.361 -0.144 10 0 CBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)C1 ZINC000153892093 351945196 /nfs/dbraw/zinc/94/51/96/351945196.db2.gz ZAAUQFLUYKDALC-GUBZILKMSA-N 1 1 282.344 -0.571 10 0 CBAEMO Cn1cc(CN2CCC[N@@H+](CCOCCO)CC2)cn1 ZINC000132967686 351896123 /nfs/dbraw/zinc/89/61/23/351896123.db2.gz KSVVQWGGUICMHX-UHFFFAOYSA-N 1 1 282.388 -0.063 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000135449823 351914570 /nfs/dbraw/zinc/91/45/70/351914570.db2.gz FZRPJRDIHUYZSS-SECBINFHSA-N 1 1 265.317 -0.292 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000135449823 351914576 /nfs/dbraw/zinc/91/45/76/351914576.db2.gz FZRPJRDIHUYZSS-SECBINFHSA-N 1 1 265.317 -0.292 10 0 CBAEMO CC1(C)NC(=O)N(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000171584591 352012729 /nfs/dbraw/zinc/01/27/29/352012729.db2.gz SBRYDWJCCWHOIR-SNVBAGLBSA-N 1 1 294.355 -0.377 10 0 CBAEMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171616990 352013286 /nfs/dbraw/zinc/01/32/86/352013286.db2.gz FXJPMLGTRVCEQY-LLVKDONJSA-N 1 1 295.343 -0.406 10 0 CBAEMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171616990 352013290 /nfs/dbraw/zinc/01/32/90/352013290.db2.gz FXJPMLGTRVCEQY-LLVKDONJSA-N 1 1 295.343 -0.406 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000171607526 352013691 /nfs/dbraw/zinc/01/36/91/352013691.db2.gz MIWXMVHYCBWCKT-LLVKDONJSA-N 1 1 295.343 -0.441 10 0 CBAEMO CC(=O)NCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173859154 352042169 /nfs/dbraw/zinc/04/21/69/352042169.db2.gz PASTUWKMSFYVLB-JQWIXIFHSA-N 1 1 269.345 -0.698 10 0 CBAEMO O=C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173931542 352042604 /nfs/dbraw/zinc/04/26/04/352042604.db2.gz DMVHWTQZNZXBBU-CQSZACIVSA-N 1 1 297.399 -0.358 10 0 CBAEMO CCNC(=O)CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173937618 352043704 /nfs/dbraw/zinc/04/37/04/352043704.db2.gz HHUGQRZRGUWDSX-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)NCC(=O)OC ZINC000175336983 352055663 /nfs/dbraw/zinc/05/56/63/352055663.db2.gz SHLOKCSWILEUGG-NSHDSACASA-N 1 1 271.361 -0.308 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000176238901 352063109 /nfs/dbraw/zinc/06/31/09/352063109.db2.gz SISXZTWNONZKJE-ZJUUUORDSA-N 1 1 292.405 -0.697 10 0 CBAEMO C[C@H]1CN(Cc2nc(N)nc(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177223402 352071060 /nfs/dbraw/zinc/07/10/60/352071060.db2.gz VYPJFQNKKGNBCC-UWVGGRQHSA-N 1 1 293.375 -0.812 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000177242214 352071076 /nfs/dbraw/zinc/07/10/76/352071076.db2.gz LBWGYWYXNPOWMU-KGLIPLIRSA-N 1 1 297.399 -0.502 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000171642004 352015088 /nfs/dbraw/zinc/01/50/88/352015088.db2.gz GWNXVDFWYPAHLD-GFCCVEGCSA-N 1 1 253.346 -0.375 10 0 CBAEMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000171883205 352017607 /nfs/dbraw/zinc/01/76/07/352017607.db2.gz UBBFXDIHIHNCIL-NSHDSACASA-N 1 1 271.361 -0.587 10 0 CBAEMO COC(=O)CNC(=O)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171930677 352018071 /nfs/dbraw/zinc/01/80/71/352018071.db2.gz MLLMTYPZKWPCSE-LLVKDONJSA-N 1 1 269.345 -0.554 10 0 CBAEMO CS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900116 352018163 /nfs/dbraw/zinc/01/81/63/352018163.db2.gz HJIIDTKSYRPMLP-JTQLQIEISA-N 1 1 290.389 -0.975 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CCCS(N)(=O)=O)C2)cn1 ZINC000172050939 352020692 /nfs/dbraw/zinc/02/06/92/352020692.db2.gz SKJDOPNIKVGUQW-JTQLQIEISA-N 1 1 272.374 -0.112 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1N1CCOCC1 ZINC000177276075 352073096 /nfs/dbraw/zinc/07/30/96/352073096.db2.gz JGGUOHSWDWOYIL-RYUDHWBXSA-N 1 1 296.371 -0.809 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187311156 352137017 /nfs/dbraw/zinc/13/70/17/352137017.db2.gz KGDJKEBPTISOGB-LLVKDONJSA-N 1 1 296.375 -0.794 10 0 CBAEMO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000179121841 352087435 /nfs/dbraw/zinc/08/74/35/352087435.db2.gz IXDHHGQSUMWPAM-NEPJUHHUSA-N 1 1 284.356 -0.003 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCCCCC1 ZINC000179179344 352088665 /nfs/dbraw/zinc/08/86/65/352088665.db2.gz FQZBLNGHSALEJD-VXGBXAGGSA-N 1 1 256.346 -0.184 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCCCCC1 ZINC000179179344 352088667 /nfs/dbraw/zinc/08/86/67/352088667.db2.gz FQZBLNGHSALEJD-VXGBXAGGSA-N 1 1 256.346 -0.184 10 0 CBAEMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000188207695 352148722 /nfs/dbraw/zinc/14/87/22/352148722.db2.gz RJCDQYBTDVQXKC-JTQLQIEISA-N 1 1 290.389 -0.975 10 0 CBAEMO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000195206777 352223798 /nfs/dbraw/zinc/22/37/98/352223798.db2.gz NAAYRLPCCVXYBB-STQMWFEESA-N 1 1 288.388 -0.311 10 0 CBAEMO CCOC[C@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000225859137 352249956 /nfs/dbraw/zinc/24/99/56/352249956.db2.gz REVIDIBFWBZYHI-CHWSQXEVSA-N 1 1 258.362 -0.210 10 0 CBAEMO COC(=O)CCCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237146204 352300759 /nfs/dbraw/zinc/30/07/59/352300759.db2.gz XMLSZQDCBDNZEA-JTQLQIEISA-N 1 1 258.318 -0.176 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](C(=O)NC)C2)C1 ZINC000248441100 352352331 /nfs/dbraw/zinc/35/23/31/352352331.db2.gz JYJMDMZHTJZIPM-VXGBXAGGSA-N 1 1 298.387 -0.373 10 0 CBAEMO CNC(=O)[C@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCO1 ZINC000248451013 352352345 /nfs/dbraw/zinc/35/23/45/352352345.db2.gz YDXBIABEFOIEOB-WDEREUQCSA-N 1 1 274.361 -0.391 10 0 CBAEMO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCO1 ZINC000248451013 352352350 /nfs/dbraw/zinc/35/23/50/352352350.db2.gz YDXBIABEFOIEOB-WDEREUQCSA-N 1 1 274.361 -0.391 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCOC ZINC000245452740 352320892 /nfs/dbraw/zinc/32/08/92/352320892.db2.gz DVDIWEJOYYNXGH-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCOC ZINC000245452740 352320894 /nfs/dbraw/zinc/32/08/94/352320894.db2.gz DVDIWEJOYYNXGH-UONOGXRCSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000245476618 352321758 /nfs/dbraw/zinc/32/17/58/352321758.db2.gz SZDMPEZSFUJONA-OLZOCXBDSA-N 1 1 298.431 -0.005 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000245745836 352325026 /nfs/dbraw/zinc/32/50/26/352325026.db2.gz MTMMOPRTYRCARN-AAEUAGOBSA-N 1 1 292.383 -0.248 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248655792 352355085 /nfs/dbraw/zinc/35/50/85/352355085.db2.gz QVALBLFLUKVMEI-RYUDHWBXSA-N 1 1 271.361 -0.127 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248655792 352355088 /nfs/dbraw/zinc/35/50/88/352355088.db2.gz QVALBLFLUKVMEI-RYUDHWBXSA-N 1 1 271.361 -0.127 10 0 CBAEMO C[C@@H]1CN(Cc2nc(N)nc(N)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246577928 352334977 /nfs/dbraw/zinc/33/49/77/352334977.db2.gz VYPJFQNKKGNBCC-NXEZZACHSA-N 1 1 293.375 -0.812 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2ccnn2)C[C@H]1C ZINC000246688923 352337211 /nfs/dbraw/zinc/33/72/11/352337211.db2.gz JHRQWWMTWHCLSA-NEPJUHHUSA-N 1 1 281.360 -0.418 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000246819540 352338881 /nfs/dbraw/zinc/33/88/81/352338881.db2.gz CLBALCSSKMRASY-RYUDHWBXSA-N 1 1 292.383 -0.248 10 0 CBAEMO O[C@H](CN1CCOCC1)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246928620 352339255 /nfs/dbraw/zinc/33/92/55/352339255.db2.gz SXJKBINNDSFOGD-HUUCEWRRSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000246928620 352339257 /nfs/dbraw/zinc/33/92/57/352339257.db2.gz SXJKBINNDSFOGD-HUUCEWRRSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000246928620 352339260 /nfs/dbraw/zinc/33/92/60/352339260.db2.gz SXJKBINNDSFOGD-HUUCEWRRSA-N 1 1 283.416 -0.150 10 0 CBAEMO COCCOCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246932584 352340127 /nfs/dbraw/zinc/34/01/27/352340127.db2.gz ZMHTZTSPOSCHSB-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1C(=O)CN(C)C1=O ZINC000246974904 352340427 /nfs/dbraw/zinc/34/04/27/352340427.db2.gz DTXGXNUBFPWJTC-QWRGUYRKSA-N 1 1 294.355 -0.425 10 0 CBAEMO COC(=O)CNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000247037538 352342981 /nfs/dbraw/zinc/34/29/81/352342981.db2.gz YQRRVHBGBBHDDY-NSHDSACASA-N 1 1 269.345 -0.554 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000247158818 352343387 /nfs/dbraw/zinc/34/33/87/352343387.db2.gz OBEZPLNINKSOTM-OLZOCXBDSA-N 1 1 284.404 -0.042 10 0 CBAEMO CN1C(=O)C[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247187148 352344191 /nfs/dbraw/zinc/34/41/91/352344191.db2.gz SKSMBHCMABVEQK-MNOVXSKESA-N 1 1 267.329 -0.850 10 0 CBAEMO CN1C(=O)C[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247187148 352344193 /nfs/dbraw/zinc/34/41/93/352344193.db2.gz SKSMBHCMABVEQK-MNOVXSKESA-N 1 1 267.329 -0.850 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(C)(=O)=O ZINC000247216612 352344565 /nfs/dbraw/zinc/34/45/65/352344565.db2.gz MDTGVLSPWUYNLX-QWRGUYRKSA-N 1 1 289.401 -0.091 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCCO2)C[C@@H]1C ZINC000247205106 352344963 /nfs/dbraw/zinc/34/49/63/352344963.db2.gz UFJPGMTWHCFJLL-QWHCGFSZSA-N 1 1 286.372 -0.029 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2COCCO2)C[C@@H]1C ZINC000247205106 352344965 /nfs/dbraw/zinc/34/49/65/352344965.db2.gz UFJPGMTWHCFJLL-QWHCGFSZSA-N 1 1 286.372 -0.029 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)CN1CCOCC1 ZINC000247204215 352345069 /nfs/dbraw/zinc/34/50/69/352345069.db2.gz LTTHPTQGLCAZMS-KFWWJZLASA-N 1 1 283.416 -0.152 10 0 CBAEMO COCCCNC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247374738 352345900 /nfs/dbraw/zinc/34/59/00/352345900.db2.gz VEHNADKCZNHZQV-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249285007 352363349 /nfs/dbraw/zinc/36/33/49/352363349.db2.gz IDQCJVBAJHZZBQ-TUAOUCFPSA-N 1 1 258.362 -0.035 10 0 CBAEMO COCCOC[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261897424 352399536 /nfs/dbraw/zinc/39/95/36/352399536.db2.gz AATZKDMQXIQXHQ-AXFHLTTASA-N 1 1 260.334 -0.469 10 0 CBAEMO CC(C)N1CCC[C@H]([N@H+]2C[C@@H](O)C[C@@H]2CO)C1=O ZINC000249370607 352364189 /nfs/dbraw/zinc/36/41/89/352364189.db2.gz WRPVDYBHRLYVTN-WOPDTQHZSA-N 1 1 256.346 -0.187 10 0 CBAEMO C[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@@H](C(N)=O)C1 ZINC000249600264 352369746 /nfs/dbraw/zinc/36/97/46/352369746.db2.gz XYTVWASXSVAHJE-GRYCIOLGSA-N 1 1 283.372 -0.445 10 0 CBAEMO C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)[C@@H](C(N)=O)C1 ZINC000249600264 352369749 /nfs/dbraw/zinc/36/97/49/352369749.db2.gz XYTVWASXSVAHJE-GRYCIOLGSA-N 1 1 283.372 -0.445 10 0 CBAEMO O=C(C[N@@H+]1CC[C@@H](CCO)C1)NC[C@H]1CCCO1 ZINC000252895774 352380235 /nfs/dbraw/zinc/38/02/35/352380235.db2.gz ZUVCAFXPLJMUFY-NWDGAFQWSA-N 1 1 256.346 -0.014 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000253083583 352381314 /nfs/dbraw/zinc/38/13/14/352381314.db2.gz XZQBSNAEUPARBB-OUAUKWLOSA-N 1 1 269.345 -0.428 10 0 CBAEMO Cn1c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000261771666 352396843 /nfs/dbraw/zinc/39/68/43/352396843.db2.gz OQRXFAHSNRFDSV-ZMLRMANQSA-N 1 1 278.356 -0.747 10 0 CBAEMO C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261864162 352399045 /nfs/dbraw/zinc/39/90/45/352399045.db2.gz CLFWZMMIDJSARM-WYUUTHIRSA-N 1 1 272.345 -0.327 10 0 CBAEMO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](N)COC)C1 ZINC000262228671 352411612 /nfs/dbraw/zinc/41/16/12/352411612.db2.gz GNICPVNKTMYVQU-QWHCGFSZSA-N 1 1 287.404 -0.081 10 0 CBAEMO COC[C@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCO1 ZINC000262283746 352414343 /nfs/dbraw/zinc/41/43/43/352414343.db2.gz OBSBWVPYEZRLSA-MXWKQRLJSA-N 1 1 258.318 -0.763 10 0 CBAEMO CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)N1CCOCC1 ZINC000262316228 352415698 /nfs/dbraw/zinc/41/56/98/352415698.db2.gz QVJVYDQIIWNLNF-WOPDTQHZSA-N 1 1 299.371 -0.883 10 0 CBAEMO COC[C@@H](N)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000262331006 352416006 /nfs/dbraw/zinc/41/60/06/352416006.db2.gz RRSRDZVACMDAHL-CYBMUJFWSA-N 1 1 287.404 -0.034 10 0 CBAEMO COCCN1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262329101 352416565 /nfs/dbraw/zinc/41/65/65/352416565.db2.gz SDCURTKSHPYKNQ-GFCCVEGCSA-N 1 1 285.388 -0.421 10 0 CBAEMO COC[C@@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000262360637 352418332 /nfs/dbraw/zinc/41/83/32/352418332.db2.gz VNDFHWDIUDAYIB-GFCCVEGCSA-N 1 1 287.404 -0.034 10 0 CBAEMO CC[C@H](C)NC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261947838 352401956 /nfs/dbraw/zinc/40/19/56/352401956.db2.gz NVYTWLDGXGPABS-UMNHJUIQSA-N 1 1 271.361 -0.216 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000261994091 352403220 /nfs/dbraw/zinc/40/32/20/352403220.db2.gz TWFRNOUBYCGXQD-RNCFNFMXSA-N 1 1 293.323 -0.134 10 0 CBAEMO CC(=O)NCC1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262016402 352403453 /nfs/dbraw/zinc/40/34/53/352403453.db2.gz WDIHTITVSJXHON-MFKMUULPSA-N 1 1 283.372 -0.262 10 0 CBAEMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)o1 ZINC000284789871 352636601 /nfs/dbraw/zinc/63/66/01/352636601.db2.gz IXKHKURJRPAHSB-ZDUSSCGKSA-N 1 1 282.296 -0.122 10 0 CBAEMO COC(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)o1 ZINC000284789871 352636606 /nfs/dbraw/zinc/63/66/06/352636606.db2.gz IXKHKURJRPAHSB-ZDUSSCGKSA-N 1 1 282.296 -0.122 10 0 CBAEMO CC(C)(C)NC(=O)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000135277430 187815090 /nfs/dbraw/zinc/81/50/90/187815090.db2.gz BFBGEVXWHTUHNS-SECBINFHSA-N 1 1 257.334 -0.604 10 0 CBAEMO CN(C)[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000310805405 352762360 /nfs/dbraw/zinc/76/23/60/352762360.db2.gz BFGZDLWXUKGHFJ-CHWSQXEVSA-N 1 1 257.378 -0.685 10 0 CBAEMO CN(C)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000310805405 352762361 /nfs/dbraw/zinc/76/23/61/352762361.db2.gz BFGZDLWXUKGHFJ-CHWSQXEVSA-N 1 1 257.378 -0.685 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(C(=O)OC)nn1 ZINC000311577882 352767711 /nfs/dbraw/zinc/76/77/11/352767711.db2.gz NXJRFKMWNFTQPC-SECBINFHSA-N 1 1 272.305 -0.996 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000311859683 352771040 /nfs/dbraw/zinc/77/10/40/352771040.db2.gz UWIVNMKZXBRBJE-SDDRHHMPSA-N 1 1 272.345 -0.637 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000311859683 352771041 /nfs/dbraw/zinc/77/10/41/352771041.db2.gz UWIVNMKZXBRBJE-SDDRHHMPSA-N 1 1 272.345 -0.637 10 0 CBAEMO COC(=O)c1cccnc1CN1CC[NH+](CCO)CC1 ZINC000312218001 352774074 /nfs/dbraw/zinc/77/40/74/352774074.db2.gz YAPSITUGPLJKOI-UHFFFAOYSA-N 1 1 279.340 -0.022 10 0 CBAEMO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185135167 137651024 /nfs/dbraw/zinc/65/10/24/137651024.db2.gz ZGLCGSDPKADTHQ-MNOVXSKESA-N 1 1 258.362 -0.034 10 0 CBAEMO CC(C)(C)CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185135167 137651026 /nfs/dbraw/zinc/65/10/26/137651026.db2.gz ZGLCGSDPKADTHQ-MNOVXSKESA-N 1 1 258.362 -0.034 10 0 CBAEMO NC(=O)[C@]1(O)CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000367462239 353682270 /nfs/dbraw/zinc/68/22/70/353682270.db2.gz FAQNHNZVEFTXHM-LBPRGKRZSA-N 1 1 261.285 -0.226 10 0 CBAEMO C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000400184910 353800613 /nfs/dbraw/zinc/80/06/13/353800613.db2.gz TYRDIJISSSSJDQ-AXFHLTTASA-N 1 1 261.391 -0.392 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401514286 353802930 /nfs/dbraw/zinc/80/29/30/353802930.db2.gz YDULAEANYZQQES-NEPJUHHUSA-N 1 1 285.388 -0.326 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401514286 353802931 /nfs/dbraw/zinc/80/29/31/353802931.db2.gz YDULAEANYZQQES-NEPJUHHUSA-N 1 1 285.388 -0.326 10 0 CBAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000401748839 353803222 /nfs/dbraw/zinc/80/32/22/353803222.db2.gz PBZFHEXSIICKSU-IJLUTSLNSA-N 1 1 256.346 -0.016 10 0 CBAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000401726426 353803465 /nfs/dbraw/zinc/80/34/65/353803465.db2.gz BMSISUXMWQLNIT-PSASIEDQSA-N 1 1 255.318 -0.323 10 0 CBAEMO COC[C@H](C)S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404047211 353805564 /nfs/dbraw/zinc/80/55/64/353805564.db2.gz JFAQSNFRCYGHPN-GARJFASQSA-N 1 1 278.374 -0.586 10 0 CBAEMO COC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404047208 353806032 /nfs/dbraw/zinc/80/60/32/353806032.db2.gz JFAQSNFRCYGHPN-DCAQKATOSA-N 1 1 278.374 -0.586 10 0 CBAEMO COCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404207893 353806616 /nfs/dbraw/zinc/80/66/16/353806616.db2.gz TXVSSPMDGHWAIH-UWVGGRQHSA-N 1 1 264.347 -0.975 10 0 CBAEMO O=S(=O)(c1cccnc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404212371 353806699 /nfs/dbraw/zinc/80/66/99/353806699.db2.gz WNQQXEWNGRGTMG-NEPJUHHUSA-N 1 1 283.353 -0.167 10 0 CBAEMO CO[C@@H]1COC[C@@H]1[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000428192977 354246305 /nfs/dbraw/zinc/24/63/05/354246305.db2.gz YFXCKTBTDIZXDG-NGDQXYMTSA-N 1 1 254.330 -0.014 10 0 CBAEMO CNS(=O)(=O)CCC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000444765164 354278740 /nfs/dbraw/zinc/27/87/40/354278740.db2.gz YKYVANRVVGFJTL-BDAKNGLRSA-N 1 1 254.327 -0.670 10 0 CBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000444765164 354278743 /nfs/dbraw/zinc/27/87/43/354278743.db2.gz YKYVANRVVGFJTL-BDAKNGLRSA-N 1 1 254.327 -0.670 10 0 CBAEMO O=S1(=O)NC([C@@H]2C[C@H](O)C[NH2+]2)=Nc2ccccc21 ZINC000575434077 354936093 /nfs/dbraw/zinc/93/60/93/354936093.db2.gz ISYWMFRQGDKHCH-CBAPKCEASA-N 1 1 267.310 -0.269 10 0 CBAEMO COc1ccc2c(c1)nc(NCC[NH+](C)C)n[n+]2[O-] ZINC000584659548 355034537 /nfs/dbraw/zinc/03/45/37/355034537.db2.gz QKWZYFFRRSXIRF-UHFFFAOYSA-N 1 1 264.309 -0.119 10 0 CBAEMO NC(=O)C[NH+]1CCC(C(=O)NCCC2(O)CCCC2)CC1 ZINC000584896397 355045046 /nfs/dbraw/zinc/04/50/46/355045046.db2.gz NWEFBXWRYNVKSH-UHFFFAOYSA-N 1 1 297.399 -0.005 10 0 CBAEMO COC(=O)[C@@](C)(O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000588960265 355063901 /nfs/dbraw/zinc/06/39/01/355063901.db2.gz VLHMNCUOAHJBGO-PWSUYJOCSA-N 1 1 260.334 -0.827 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000599289311 355476660 /nfs/dbraw/zinc/47/66/60/355476660.db2.gz COCBACBTQJXPQA-RYUDHWBXSA-N 1 1 274.361 -0.437 10 0 CBAEMO CN1CC[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173952645 283118887 /nfs/dbraw/zinc/11/88/87/283118887.db2.gz IDGWMODFIHGFBM-RYUDHWBXSA-N 1 1 253.346 -0.376 10 0 CBAEMO Nc1cccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616638794 356105167 /nfs/dbraw/zinc/10/51/67/356105167.db2.gz HSYORDDPFHTZBD-SNVBAGLBSA-N 1 1 256.331 -0.581 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)[N@H+](C)C1 ZINC000616775353 356114105 /nfs/dbraw/zinc/11/41/05/356114105.db2.gz JIEFTGVMDWCZBI-PPCPHDFISA-N 1 1 294.355 -0.607 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)[N@@H+](C)C1 ZINC000616775353 356114108 /nfs/dbraw/zinc/11/41/08/356114108.db2.gz JIEFTGVMDWCZBI-PPCPHDFISA-N 1 1 294.355 -0.607 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@H](c2ccccc2CO)C1 ZINC000616634899 356104068 /nfs/dbraw/zinc/10/40/68/356104068.db2.gz CIIACNFMLYIGDY-NSHDSACASA-N 1 1 271.342 -0.671 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000616635312 356104087 /nfs/dbraw/zinc/10/40/87/356104087.db2.gz PITSGSRJBOXPNM-JTQLQIEISA-N 1 1 259.306 -0.025 10 0 CBAEMO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000328998099 202147647 /nfs/dbraw/zinc/14/76/47/202147647.db2.gz UYKFJDSYXGRNOE-FTYKPCCVSA-N 1 1 267.329 -0.465 10 0 CBAEMO C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C[NH3+] ZINC000631842291 356911232 /nfs/dbraw/zinc/91/12/32/356911232.db2.gz YBKHLVUHLMEQSL-ZJUUUORDSA-N 1 1 266.345 -0.889 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCNCC2=O)C1 ZINC000638079147 357412697 /nfs/dbraw/zinc/41/26/97/357412697.db2.gz BDOJLCKRYFHUFB-VXGBXAGGSA-N 1 1 282.388 -0.593 10 0 CBAEMO CCOC[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000638604109 357500226 /nfs/dbraw/zinc/50/02/26/357500226.db2.gz YIVIQSZRHIRMJX-MNOVXSKESA-N 1 1 258.318 -0.761 10 0 CBAEMO CCOC[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000638604108 357500440 /nfs/dbraw/zinc/50/04/40/357500440.db2.gz YIVIQSZRHIRMJX-GHMZBOCLSA-N 1 1 258.318 -0.761 10 0 CBAEMO CCOC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000638604111 357500510 /nfs/dbraw/zinc/50/05/10/357500510.db2.gz YIVIQSZRHIRMJX-WDEREUQCSA-N 1 1 258.318 -0.761 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848884 357606390 /nfs/dbraw/zinc/60/63/90/357606390.db2.gz JZTKUGUWCFXTPI-XQQFMLRXSA-N 1 1 261.362 -0.018 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639872195 357615937 /nfs/dbraw/zinc/61/59/37/357615937.db2.gz OMNPISDFYGEJTC-OLZOCXBDSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639872195 357615939 /nfs/dbraw/zinc/61/59/39/357615939.db2.gz OMNPISDFYGEJTC-OLZOCXBDSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639872195 357615940 /nfs/dbraw/zinc/61/59/40/357615940.db2.gz OMNPISDFYGEJTC-OLZOCXBDSA-N 1 1 260.378 -0.228 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)C(=O)Cn2nc(C)oc2=O)[N@@H+](C)C1 ZINC000640286761 357642095 /nfs/dbraw/zinc/64/20/95/357642095.db2.gz SUHYOONYLVTBNC-QWRGUYRKSA-N 1 1 298.343 -0.678 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000261984340 291211333 /nfs/dbraw/zinc/21/13/33/291211333.db2.gz RZVJJODXNWQYDH-RCWTZXSCSA-N 1 1 269.345 -0.476 10 0 CBAEMO Nc1nc(N)nc(CN2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000177754972 189067169 /nfs/dbraw/zinc/06/71/69/189067169.db2.gz AMDDXAXPJPNMQK-VIFPVBQESA-N 1 1 263.349 -0.294 10 0 CBAEMO C[C@@H](CO)[N@@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000179513881 189198667 /nfs/dbraw/zinc/19/86/67/189198667.db2.gz SQYNGSDUAGNBNL-QWRGUYRKSA-N 1 1 292.335 -0.044 10 0 CBAEMO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299752970 200858823 /nfs/dbraw/zinc/85/88/23/200858823.db2.gz WGJWTVCCRMQRGP-ZYHUDNBSSA-N 1 1 285.388 -0.295 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000183951372 189372909 /nfs/dbraw/zinc/37/29/09/189372909.db2.gz BHIMBINQJUCTOJ-LLVKDONJSA-N 1 1 297.355 -0.172 10 0 CBAEMO COC(=O)c1coc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184005092 189373871 /nfs/dbraw/zinc/37/38/71/189373871.db2.gz RVZPHAURLYZFFW-ZJUUUORDSA-N 1 1 255.270 -0.006 10 0 CBAEMO COC(=O)c1coc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184005092 189373872 /nfs/dbraw/zinc/37/38/72/189373872.db2.gz RVZPHAURLYZFFW-ZJUUUORDSA-N 1 1 255.270 -0.006 10 0 CBAEMO CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184737814 189394246 /nfs/dbraw/zinc/39/42/46/189394246.db2.gz UHKASAFQNMMUCW-GHMZBOCLSA-N 1 1 268.313 -0.335 10 0 CBAEMO CN(Cc1ccco1)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184737814 189394247 /nfs/dbraw/zinc/39/42/47/189394247.db2.gz UHKASAFQNMMUCW-GHMZBOCLSA-N 1 1 268.313 -0.335 10 0 CBAEMO CNC(=O)CC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000344563840 217233048 /nfs/dbraw/zinc/23/30/48/217233048.db2.gz GZGTXXBOKXROKE-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@H]1C[C@H]([NH3+])c2cc(S(N)(=O)=O)sc2S1(=O)=O ZINC000006932783 372755487 /nfs/dbraw/zinc/75/54/87/372755487.db2.gz HVURBRAECUMAHY-NJGYIYPDSA-N 1 1 296.395 -0.039 10 0 in-vitro CBAEMO CCS(=O)(=O)CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000118398595 372789435 /nfs/dbraw/zinc/78/94/35/372789435.db2.gz AAVGNCIDMXBZJV-NSHDSACASA-N 1 1 264.391 -0.317 10 0 CBAEMO COCCO[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000189719527 372856423 /nfs/dbraw/zinc/85/64/23/372856423.db2.gz OFTAUDBUDRXUAW-STQMWFEESA-N 1 1 286.372 -0.293 10 0 CBAEMO CCOCC[N@H+]1CCN(Cc2nnn(C)n2)C[C@H]1C ZINC000248762350 372894045 /nfs/dbraw/zinc/89/40/45/372894045.db2.gz JYGDUKFFVIELCQ-LLVKDONJSA-N 1 1 268.365 -0.247 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000399078535 373584741 /nfs/dbraw/zinc/58/47/41/373584741.db2.gz SMBHKOHLEWZROZ-LXTVHRRPSA-N 1 1 284.400 -0.228 10 0 CBAEMO O[C@H](CN1CCOCC1)C[N@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399078527 373585882 /nfs/dbraw/zinc/58/58/82/373585882.db2.gz SMBHKOHLEWZROZ-KBUPBQIOSA-N 1 1 284.400 -0.228 10 0 CBAEMO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](CCCF)CC1 ZINC000402848677 373592816 /nfs/dbraw/zinc/59/28/16/373592816.db2.gz NBHYATSLIPUZJV-JTQLQIEISA-N 1 1 257.309 -0.374 10 0 CBAEMO C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367489395 373537435 /nfs/dbraw/zinc/53/74/35/373537435.db2.gz LVHLERCVAANDOW-YPMHNXCESA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](O)(C(N)=O)C1 ZINC000367489395 373537439 /nfs/dbraw/zinc/53/74/39/373537439.db2.gz LVHLERCVAANDOW-YPMHNXCESA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](O)(C(N)=O)C1 ZINC000367489395 373537447 /nfs/dbraw/zinc/53/74/47/373537447.db2.gz LVHLERCVAANDOW-YPMHNXCESA-N 1 1 255.362 -0.217 10 0 CBAEMO CNC(=O)C[C@]1(O)CCC[N@@H+](CCc2cncn2C)C1 ZINC000643818369 374442321 /nfs/dbraw/zinc/44/23/21/374442321.db2.gz MEEGQMQCFQBXGA-CQSZACIVSA-N 1 1 280.372 -0.074 10 0 CBAEMO O=C1C[C@@]2(CC[N@H+]([C@@H]3CCN(C4CC4)C3=O)C2)CN1 ZINC000333053331 296345990 /nfs/dbraw/zinc/34/59/90/296345990.db2.gz QVAYCTCVFQXZQF-RISCZKNCSA-N 1 1 263.341 -0.038 10 0 CBAEMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)COC ZINC000262283313 285025911 /nfs/dbraw/zinc/02/59/11/285025911.db2.gz LZIQYHJZKOAGSL-MNOVXSKESA-N 1 1 259.350 -0.813 10 0 CBAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)COC ZINC000262283313 285025912 /nfs/dbraw/zinc/02/59/12/285025912.db2.gz LZIQYHJZKOAGSL-MNOVXSKESA-N 1 1 259.350 -0.813 10 0 CBAEMO O=C1NC(=O)N2CC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000328682566 296355651 /nfs/dbraw/zinc/35/56/51/296355651.db2.gz VRYMKCXHEWYFQJ-VHSXEESVSA-N 1 1 278.312 -0.174 10 0 CBAEMO O=C1NC(=O)N2CC[N@H+]([C@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000328682566 296355652 /nfs/dbraw/zinc/35/56/52/296355652.db2.gz VRYMKCXHEWYFQJ-VHSXEESVSA-N 1 1 278.312 -0.174 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000175332022 285240147 /nfs/dbraw/zinc/24/01/47/285240147.db2.gz SZDMPEZSFUJONA-QWHCGFSZSA-N 1 1 298.431 -0.005 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1C ZINC000117275284 286085154 /nfs/dbraw/zinc/08/51/54/286085154.db2.gz UOJPJQZEWQMLNW-WDEREUQCSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@@H]1C ZINC000117275284 286085156 /nfs/dbraw/zinc/08/51/56/286085156.db2.gz UOJPJQZEWQMLNW-WDEREUQCSA-N 1 1 286.376 -0.388 10 0 CBAEMO C[C@@H]1C(=O)NCCCN1CCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000249099671 287179534 /nfs/dbraw/zinc/17/95/34/287179534.db2.gz WBMONBVWIVMUCH-CHWSQXEVSA-N 1 1 296.415 -0.203 10 0 CBAEMO O=c1[nH]cnc2c(C[N@H+]3C[C@H](O)[C@@H](CO)C3)c[nH]c21 ZINC000005973821 170164613 /nfs/dbraw/zinc/16/46/13/170164613.db2.gz AFNHHLILYQEHKK-BDAKNGLRSA-N 1 1 264.285 -0.964 10 0 investigational CBAEMO COCCNC(=O)[C@@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000007203141 170271376 /nfs/dbraw/zinc/27/13/76/170271376.db2.gz ITQVIOUNJYBDDW-ZCFIWIBFSA-N 1 1 271.346 -0.116 10 0 CBAEMO C[NH+]1CCN(NC(=O)CNC(=O)c2ccccc2)CC1 ZINC000008072095 170317510 /nfs/dbraw/zinc/31/75/10/170317510.db2.gz JWTUQNFLTDUNIT-UHFFFAOYSA-N 1 1 276.340 -0.305 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000037629356 411625337 /nfs/dbraw/zinc/62/53/37/411625337.db2.gz ODQAAHIPGCEHHT-NXEZZACHSA-N 1 1 263.297 -0.171 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCCC[C@@H]1CCO ZINC000020247754 171101434 /nfs/dbraw/zinc/10/14/34/171101434.db2.gz ZOZPAEJGUUGKEU-LLVKDONJSA-N 1 1 277.390 -0.627 10 0 CBAEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000284927908 196158297 /nfs/dbraw/zinc/15/82/97/196158297.db2.gz UIODDKFATLZFIA-AWEZNQCLSA-N 1 1 277.324 -0.402 10 0 CBAEMO CN(CCC(=O)Nc1cccc(C[NH3+])c1)CC(N)=O ZINC000037268390 173079701 /nfs/dbraw/zinc/07/97/01/173079701.db2.gz NINNDBZLASQQCB-UHFFFAOYSA-N 1 1 264.329 -0.109 10 0 CBAEMO CN(C)C(=O)C[N@@H+](C)CCCn1cc(N)ccc1=O ZINC000037269776 173081523 /nfs/dbraw/zinc/08/15/23/173081523.db2.gz JMCRDEUUAPYXLC-UHFFFAOYSA-N 1 1 266.345 -0.159 10 0 CBAEMO CN(C)C(=O)C[N@@H+](C)CCC(=O)N(C)CCC(N)=S ZINC000037270930 173082601 /nfs/dbraw/zinc/08/26/01/173082601.db2.gz AJAZYHKUDSLAON-UHFFFAOYSA-N 1 1 288.417 -0.469 10 0 CBAEMO COC(=O)Cn1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000038030469 174022178 /nfs/dbraw/zinc/02/21/78/174022178.db2.gz KBIMXSNKLOFZKW-VIFPVBQESA-N 1 1 266.301 -0.054 10 0 CBAEMO O=C(NCc1nnc[nH]1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043362 174049990 /nfs/dbraw/zinc/04/99/90/174049990.db2.gz PMCCOCMCFYDYHH-LLVKDONJSA-N 1 1 278.360 -0.363 10 0 CBAEMO COC(=O)C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000038101859 174117718 /nfs/dbraw/zinc/11/77/18/174117718.db2.gz VWHBABOKZJLUNF-RKDXNWHRSA-N 1 1 271.317 -0.867 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1-n1cccn1 ZINC000040495731 174294837 /nfs/dbraw/zinc/29/48/37/174294837.db2.gz ATVOLPWTMLUGLE-NSHDSACASA-N 1 1 287.323 -0.309 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040502518 174298658 /nfs/dbraw/zinc/29/86/58/174298658.db2.gz LPPMYKWXIXAQND-GFCCVEGCSA-N 1 1 280.372 -0.342 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040502518 174298659 /nfs/dbraw/zinc/29/86/59/174298659.db2.gz LPPMYKWXIXAQND-GFCCVEGCSA-N 1 1 280.372 -0.342 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1cccc2c1OCO2 ZINC000040667759 174367169 /nfs/dbraw/zinc/36/71/69/174367169.db2.gz SURNFXZSAAWZPA-QMMMGPOBSA-N 1 1 265.269 -0.766 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCc1ccc(O)cc1 ZINC000040737090 174389724 /nfs/dbraw/zinc/38/97/24/174389724.db2.gz GGWPMOKPUNUXIR-SNVBAGLBSA-N 1 1 251.286 -0.746 10 0 CBAEMO CC[C@@H](C)NC(=O)CN1CCC[N@@H+](CCO)CC1 ZINC000071350002 176133365 /nfs/dbraw/zinc/13/33/65/176133365.db2.gz APQAUHFUJOVDNL-GFCCVEGCSA-N 1 1 257.378 -0.099 10 0 CBAEMO C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088370255 544433521 /nfs/dbraw/zinc/43/35/21/544433521.db2.gz LBWSXFFZRFLCKR-ZJUUUORDSA-N 1 1 255.318 -0.898 10 0 CBAEMO O=C(NCCCCn1ccnc1)[C@@H]1COCC[NH2+]1 ZINC000088372106 544433597 /nfs/dbraw/zinc/43/35/97/544433597.db2.gz COEKRCVXVGTUFS-NSHDSACASA-N 1 1 252.318 -0.232 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000088370367 544433648 /nfs/dbraw/zinc/43/36/48/544433648.db2.gz MLIRNAIGFHLXNV-QWHCGFSZSA-N 1 1 283.372 -0.702 10 0 CBAEMO CC(C)C(=O)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088370580 544433865 /nfs/dbraw/zinc/43/38/65/544433865.db2.gz XBYNNSXRRIXPIN-NSHDSACASA-N 1 1 269.345 -0.698 10 0 CBAEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000088371547 544433983 /nfs/dbraw/zinc/43/39/83/544433983.db2.gz RYJPIPTYWGZMSJ-RYUDHWBXSA-N 1 1 255.362 -0.179 10 0 CBAEMO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000157979576 544474698 /nfs/dbraw/zinc/47/46/98/544474698.db2.gz KJPOIUGJHNRLHU-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000182039429 544483192 /nfs/dbraw/zinc/48/31/92/544483192.db2.gz POYGDQPWQRLJLH-NWDGAFQWSA-N 1 1 271.361 -0.127 10 0 CBAEMO C[C@@H]1CN(Cc2nncn2C)C[C@H]1[NH+]1CCOCC1 ZINC000246449811 544511363 /nfs/dbraw/zinc/51/13/63/544511363.db2.gz MQEABJGBZCCFFJ-VXGBXAGGSA-N 1 1 265.361 -0.032 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1[nH]nc2c1CCC2 ZINC000262107093 544517932 /nfs/dbraw/zinc/51/79/32/544517932.db2.gz FDJXIZNTQUJIIQ-OIBJUYFYSA-N 1 1 250.302 -0.792 10 0 CBAEMO O=C(Cc1[nH]nc2ccccc21)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262210768 544518939 /nfs/dbraw/zinc/51/89/39/544518939.db2.gz ITTHBQZKSIGCOT-RNCFNFMXSA-N 1 1 274.324 -0.198 10 0 CBAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCn2ccccc2=O)C1 ZINC000310891232 544529161 /nfs/dbraw/zinc/52/91/61/544529161.db2.gz ULGGYODLXAWSQP-RYUDHWBXSA-N 1 1 252.314 -0.070 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660523577 419406820 /nfs/dbraw/zinc/40/68/20/419406820.db2.gz YJXHGLVEQNUPJX-PSASIEDQSA-N 1 1 264.272 -0.277 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000037797761 419410233 /nfs/dbraw/zinc/41/02/33/419410233.db2.gz IPKMUVOSFDTLDV-LBPRGKRZSA-N 1 1 292.339 -0.757 10 0 CBAEMO COc1ccc(CN(C)C(=O)[C@H]([NH3+])CC(N)=O)cc1OC ZINC000037798737 419412482 /nfs/dbraw/zinc/41/24/82/419412482.db2.gz XFUFMLCXPUAUOR-SNVBAGLBSA-N 1 1 295.339 -0.135 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000392909652 544578419 /nfs/dbraw/zinc/57/84/19/544578419.db2.gz ZJVMRTMVGHMEJV-SRVKXCTJSA-N 1 1 255.362 -0.300 10 0 CBAEMO C[C@@H]1NC(=O)CC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000392909652 544578424 /nfs/dbraw/zinc/57/84/24/544578424.db2.gz ZJVMRTMVGHMEJV-SRVKXCTJSA-N 1 1 255.362 -0.300 10 0 CBAEMO C[N@@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193156424 419544045 /nfs/dbraw/zinc/54/40/45/419544045.db2.gz XYAOBPOIUCOOTG-JTQLQIEISA-N 1 1 278.308 -0.432 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN1CCn2ccnc2C1 ZINC000388745662 544577339 /nfs/dbraw/zinc/57/73/39/544577339.db2.gz JVNDSMKUSRFWME-GFCCVEGCSA-N 1 1 268.361 -0.362 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000195173552 419559515 /nfs/dbraw/zinc/55/95/15/419559515.db2.gz MFFKIDBESXJUGE-MNOVXSKESA-N 1 1 260.334 -0.650 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000195173552 419559522 /nfs/dbraw/zinc/55/95/22/419559522.db2.gz MFFKIDBESXJUGE-MNOVXSKESA-N 1 1 260.334 -0.650 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1C ZINC000125454440 419496103 /nfs/dbraw/zinc/49/61/03/419496103.db2.gz HDKLRRPSOAGLSD-NWDGAFQWSA-N 1 1 283.372 -0.308 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1C ZINC000125454440 419496110 /nfs/dbraw/zinc/49/61/10/419496110.db2.gz HDKLRRPSOAGLSD-NWDGAFQWSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000174952472 419505360 /nfs/dbraw/zinc/50/53/60/419505360.db2.gz FIDMJNFTRZEZAD-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000174952472 419505370 /nfs/dbraw/zinc/50/53/70/419505370.db2.gz FIDMJNFTRZEZAD-KBPBESRZSA-N 1 1 299.415 -0.114 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000178815180 419507289 /nfs/dbraw/zinc/50/72/89/419507289.db2.gz WZAJSIRSSCEILB-MNOVXSKESA-N 1 1 279.406 -0.382 10 0 CBAEMO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394389329 544580833 /nfs/dbraw/zinc/58/08/33/544580833.db2.gz QKAAYIFKSQHHEF-OLZOCXBDSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1N1CCOCC1 ZINC000246299709 419592437 /nfs/dbraw/zinc/59/24/37/419592437.db2.gz BSLAFUWNXBVPRA-JHJVBQTASA-N 1 1 267.373 -0.130 10 0 CBAEMO CC[C@@H]1CN([C@H]2CCN(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000247038271 419592501 /nfs/dbraw/zinc/59/25/01/419592501.db2.gz NWEPVLRUPPKASI-XQQFMLRXSA-N 1 1 269.389 -0.006 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCOC2)C[C@H]1C ZINC000248598929 419594524 /nfs/dbraw/zinc/59/45/24/419594524.db2.gz ISNXHYCDINHCNT-WOPDTQHZSA-N 1 1 271.361 -0.128 10 0 CBAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262375432 419599851 /nfs/dbraw/zinc/59/98/51/419599851.db2.gz WNDQKMVQUDDZPC-MCIONIFRSA-N 1 1 299.415 -0.164 10 0 CBAEMO C[C@@H]1C[NH+](CCN2CCO[C@H](CO)C2)C[C@@H](C)O1 ZINC000314561634 419624454 /nfs/dbraw/zinc/62/44/54/419624454.db2.gz KJRJMOBMKGMTGK-UPJWGTAASA-N 1 1 258.362 -0.211 10 0 CBAEMO O=C(N[C@@H]1CCNC1=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662839547 419745026 /nfs/dbraw/zinc/74/50/26/419745026.db2.gz UEAGUDCXQNBWHD-VXGBXAGGSA-N 1 1 259.309 -0.122 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000662887276 419763069 /nfs/dbraw/zinc/76/30/69/419763069.db2.gz GOPDTJRZZIQIIP-KOLCDFICSA-N 1 1 255.318 -0.946 10 0 CBAEMO O=C([C@@H]1C[NH2+]CCOC1)N1CCN2CCCC[C@@H]2C1 ZINC000649311536 419875027 /nfs/dbraw/zinc/87/50/27/419875027.db2.gz YHEHVYOSCYSNKW-CHWSQXEVSA-N 1 1 267.373 -0.081 10 0 CBAEMO COc1c(N)[nH+]cnc1N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000664270701 419895399 /nfs/dbraw/zinc/89/53/99/419895399.db2.gz HTLNVIDWDMHSKC-BQBZGAKWSA-N 1 1 288.329 -0.709 10 0 CBAEMO COC[C@]1(C(=O)NC[C@H]2CN(C)CCN2C)CCC[NH2+]1 ZINC000649352665 419903622 /nfs/dbraw/zinc/90/36/22/419903622.db2.gz CNYAHPXVRWIXKS-JSGCOSHPSA-N 1 1 284.404 -0.883 10 0 CBAEMO CC(C)NC(=O)CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367485618 420107669 /nfs/dbraw/zinc/10/76/69/420107669.db2.gz ZFSLCMRULNXFEH-LBPRGKRZSA-N 1 1 257.334 -0.787 10 0 CBAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372903936 420190436 /nfs/dbraw/zinc/19/04/36/420190436.db2.gz QOEQNEZVTPCEIZ-NXEZZACHSA-N 1 1 250.364 -0.100 10 0 CBAEMO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CN(C)CCO1 ZINC000653552630 420149426 /nfs/dbraw/zinc/14/94/26/420149426.db2.gz ZSNUGSVNFJHFBN-OLZOCXBDSA-N 1 1 259.394 -0.439 10 0 CBAEMO CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CN(C)CCO1 ZINC000653552632 420149781 /nfs/dbraw/zinc/14/97/81/420149781.db2.gz ZSNUGSVNFJHFBN-STQMWFEESA-N 1 1 259.394 -0.439 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN1CC(n2cccn2)C1 ZINC000653553516 420150928 /nfs/dbraw/zinc/15/09/28/420150928.db2.gz SPWBKEISXFUJPS-CYBMUJFWSA-N 1 1 268.361 -0.321 10 0 CBAEMO CCn1c(C)nnc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653825722 420164691 /nfs/dbraw/zinc/16/46/91/420164691.db2.gz HZMRFSZNBRMCQL-NWDGAFQWSA-N 1 1 265.361 -0.143 10 0 CBAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000399147122 420218062 /nfs/dbraw/zinc/21/80/62/420218062.db2.gz CTIBHWIXJIGHAD-WPRPVWTQSA-N 1 1 255.318 -0.180 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398864037 420218096 /nfs/dbraw/zinc/21/80/96/420218096.db2.gz SARIRYKQBFTKIW-IVZWLZJFSA-N 1 1 255.318 -0.336 10 0 CBAEMO CN1C[C@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1=O ZINC000657698003 420361627 /nfs/dbraw/zinc/36/16/27/420361627.db2.gz YYBBYNMBHVVYRD-VIFPVBQESA-N 1 1 266.349 -0.004 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000674465655 544909154 /nfs/dbraw/zinc/90/91/54/544909154.db2.gz RIIKWESBYGQAKS-XHSDSOJGSA-N 1 1 294.395 -0.093 10 0 CBAEMO CN(Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465655 544909159 /nfs/dbraw/zinc/90/91/59/544909159.db2.gz RIIKWESBYGQAKS-XHSDSOJGSA-N 1 1 294.395 -0.093 10 0 CBAEMO CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465655 544909163 /nfs/dbraw/zinc/90/91/63/544909163.db2.gz RIIKWESBYGQAKS-XHSDSOJGSA-N 1 1 294.395 -0.093 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616604692 420497471 /nfs/dbraw/zinc/49/74/71/420497471.db2.gz MLUGJKMWNUCWEV-VIFPVBQESA-N 1 1 256.331 -0.430 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000311162333 262198179 /nfs/dbraw/zinc/19/81/79/262198179.db2.gz PVFOGGSQBQMESK-OLZOCXBDSA-N 1 1 260.378 -0.370 10 0 CBAEMO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CN(C)CCO1 ZINC000685563343 545081796 /nfs/dbraw/zinc/08/17/96/545081796.db2.gz VZXZIZGRZLSGCZ-KGLIPLIRSA-N 1 1 271.405 -0.296 10 0 CBAEMO CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CN(C)CCO1 ZINC000685563344 545081953 /nfs/dbraw/zinc/08/19/53/545081953.db2.gz VZXZIZGRZLSGCZ-UONOGXRCSA-N 1 1 271.405 -0.296 10 0 CBAEMO CS(=O)(=O)c1cnn(-c2ccnc(C[NH3+])n2)c1 ZINC000725252899 545083169 /nfs/dbraw/zinc/08/31/69/545083169.db2.gz PLGLIISVVHCOPZ-UHFFFAOYSA-N 1 1 253.287 -0.476 10 0 CBAEMO COC[C@@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258590 545083562 /nfs/dbraw/zinc/08/35/62/545083562.db2.gz UHHVGNOIUUQFDC-LLVKDONJSA-N 1 1 253.306 -0.670 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1C[C@@H](F)CN1 ZINC000725260505 545083794 /nfs/dbraw/zinc/08/37/94/545083794.db2.gz VBGNGZVZXRDGMN-VXNVDRBHSA-N 1 1 253.281 -0.334 10 0 CBAEMO O=C1C[C@H]([NH+]2CCN(CCO)CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263248 545083819 /nfs/dbraw/zinc/08/38/19/545083819.db2.gz ZFYHWCLAIUTKQV-ZJUUUORDSA-N 1 1 295.305 -0.194 10 0 CBAEMO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088370856 277057682 /nfs/dbraw/zinc/05/76/82/277057682.db2.gz SGAFKAYBGNLPOS-QWRGUYRKSA-N 1 1 255.318 -0.898 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171930516 277322040 /nfs/dbraw/zinc/32/20/40/277322040.db2.gz MRHFGUKLBFQSMC-NSHDSACASA-N 1 1 295.343 -0.406 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185227121 278114401 /nfs/dbraw/zinc/11/44/01/278114401.db2.gz FQSKXJKPPXZTRL-GHMZBOCLSA-N 1 1 286.376 -0.781 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000262082196 278517619 /nfs/dbraw/zinc/51/76/19/278517619.db2.gz CLOVITCNFKCVJN-MFKMUULPSA-N 1 1 293.371 -0.002 10 0 CBAEMO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)CN ZINC000092629873 279324579 /nfs/dbraw/zinc/32/45/79/279324579.db2.gz JEWCMDKCUBZGHN-JTQLQIEISA-N 1 1 256.350 -0.996 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)CN ZINC000092629873 279324580 /nfs/dbraw/zinc/32/45/80/279324580.db2.gz JEWCMDKCUBZGHN-JTQLQIEISA-N 1 1 256.350 -0.996 10 0 CBAEMO C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH+]1CCOCC1 ZINC000173838161 279791216 /nfs/dbraw/zinc/79/12/16/279791216.db2.gz QFUCUHXQMBSQPA-STQMWFEESA-N 1 1 293.371 -0.153 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922042 280024828 /nfs/dbraw/zinc/02/48/28/280024828.db2.gz FOCUTTXIHQSORR-LBPRGKRZSA-N 1 1 291.417 -0.668 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922042 280024830 /nfs/dbraw/zinc/02/48/30/280024830.db2.gz FOCUTTXIHQSORR-LBPRGKRZSA-N 1 1 291.417 -0.668 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CCN1C[C@@H](C)O ZINC000262429295 280365245 /nfs/dbraw/zinc/36/52/45/280365245.db2.gz STIMFBXWSGSENA-QJPTWQEYSA-N 1 1 257.378 -0.115 10 0 CBAEMO CC[C@H]1CN(C(=O)C[C@H](C[NH3+])OC)CCN1CCOC ZINC000262745807 288259522 /nfs/dbraw/zinc/25/95/22/288259522.db2.gz AFXIMPUIUPZUOR-QWHCGFSZSA-N 1 1 287.404 -0.081 10 0 CBAEMO CC[C@H]1CN(CCN2C(=O)CCC2=O)CC[N@H+]1C[C@H](C)O ZINC000247190913 281167643 /nfs/dbraw/zinc/16/76/43/281167643.db2.gz OEAXMTKVTNSANY-STQMWFEESA-N 1 1 297.399 -0.088 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262580266 293115817 /nfs/dbraw/zinc/11/58/17/293115817.db2.gz UJDJQPINSYUGJS-HBNTYKKESA-N 1 1 292.401 -0.226 10 0 CBAEMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000304316774 297152307 /nfs/dbraw/zinc/15/23/07/297152307.db2.gz SDKFLPSEDJEFOW-XQQFMLRXSA-N 1 1 258.362 -0.211 10 0 CBAEMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000304316774 297152308 /nfs/dbraw/zinc/15/23/08/297152308.db2.gz SDKFLPSEDJEFOW-XQQFMLRXSA-N 1 1 258.362 -0.211 10 0 CBAEMO [NH3+][C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000040173591 303490077 /nfs/dbraw/zinc/49/00/77/303490077.db2.gz GPIXMPNQLBUKMR-VHSXEESVSA-N 1 1 275.351 -0.415 10 0 CBAEMO Cc1n[nH]cc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404218169 326957598 /nfs/dbraw/zinc/95/75/98/326957598.db2.gz ZKNMBSGROTYGDU-VHSXEESVSA-N 1 1 286.357 -0.530 10 0 CBAEMO C(CN1CCOCC1)C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000580455814 330141667 /nfs/dbraw/zinc/14/16/67/330141667.db2.gz RJNHGVSFTXJEMH-UONOGXRCSA-N 1 1 269.389 -0.229 10 0 CBAEMO C(CN1CCOCC1)C[N@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000580455814 330141668 /nfs/dbraw/zinc/14/16/68/330141668.db2.gz RJNHGVSFTXJEMH-UONOGXRCSA-N 1 1 269.389 -0.229 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2ccnn2)C[C@@H]1C ZINC000174317926 335152614 /nfs/dbraw/zinc/15/26/14/335152614.db2.gz JHRQWWMTWHCLSA-NWDGAFQWSA-N 1 1 281.360 -0.418 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000252659297 334384326 /nfs/dbraw/zinc/38/43/26/334384326.db2.gz MDEVPKRCULFXFI-QWHCGFSZSA-N 1 1 287.404 -0.474 10 0 CBAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862569 336133144 /nfs/dbraw/zinc/13/31/44/336133144.db2.gz DQTNHDWTEURSIK-NEPJUHHUSA-N 1 1 255.362 -0.394 10 0 CBAEMO CC[NH2+]CCS(=O)(=O)N(C)C1CCN(C)CC1 ZINC000049641527 519926729 /nfs/dbraw/zinc/92/67/29/519926729.db2.gz XLMIJAPSAWRPKP-UHFFFAOYSA-N 1 1 263.407 -0.048 10 0 CBAEMO CC(C)[C@@H](CN(C)C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000049226456 519793690 /nfs/dbraw/zinc/79/36/90/519793690.db2.gz JYJVERBDGJIJNO-LLVKDONJSA-N 1 1 278.422 -0.688 10 0 CBAEMO CN(CCC[NH3+])S(=O)(=O)NCCN1CCCCC1 ZINC000049575326 522740950 /nfs/dbraw/zinc/74/09/50/522740950.db2.gz GMPRBTPJRHCPME-UHFFFAOYSA-N 1 1 278.422 -0.413 10 0 CBAEMO C[N@H+]1CCCC[C@@H]1CCNCCNS(C)(=O)=O ZINC000052205547 523792422 /nfs/dbraw/zinc/79/24/22/523792422.db2.gz FCBIXAFRMRAEGJ-LLVKDONJSA-N 1 1 263.407 0.000 10 0 CBAEMO C[NH+](C)C1CCN([C@H]2CS(=O)(=O)C[C@H]2N)CC1 ZINC000054493041 524040926 /nfs/dbraw/zinc/04/09/26/524040926.db2.gz ASQPDFBOLXZGHA-MNOVXSKESA-N 1 1 261.391 -0.863 10 0 CBAEMO C[C@@H](CN1CCCC1)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049181470 524593008 /nfs/dbraw/zinc/59/30/08/524593008.db2.gz ADUIIPPQAGXRMN-NSHDSACASA-N 1 1 278.422 -0.414 10 0 CBAEMO Nc1n[nH]cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049563888 527540163 /nfs/dbraw/zinc/54/01/63/527540163.db2.gz ZPPZYRODVCLRPS-JGVFFNPUSA-N 1 1 271.346 -0.493 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000119697920 582117666 /nfs/dbraw/zinc/11/76/66/582117666.db2.gz LCMXNWJJWRFBQV-LLVKDONJSA-N 1 1 270.329 -0.582 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC2(C1)OCCO2 ZINC000119697920 582117668 /nfs/dbraw/zinc/11/76/68/582117668.db2.gz LCMXNWJJWRFBQV-LLVKDONJSA-N 1 1 270.329 -0.582 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136209794 582125746 /nfs/dbraw/zinc/12/57/46/582125746.db2.gz MJSYIDZDFVPTFA-TZMCWYRMSA-N 1 1 268.405 -0.119 10 0 CBAEMO CCOCC[N@H+]1CCN(CCCS(N)(=O)=O)C[C@@H]1C ZINC000171572119 582126726 /nfs/dbraw/zinc/12/67/26/582126726.db2.gz HVRQJDFKZGECCX-LBPRGKRZSA-N 1 1 293.433 -0.292 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900601832 584815140 /nfs/dbraw/zinc/81/51/40/584815140.db2.gz PBONLXQODHASSP-QWRGUYRKSA-N 1 1 274.361 -0.967 10 0 CBAEMO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000034588855 656000367 /nfs/dbraw/zinc/00/03/67/656000367.db2.gz PHLORFAGTXJTFY-MNOVXSKESA-N 1 1 293.323 -0.910 10 0 CBAEMO COc1cccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037680549 656003496 /nfs/dbraw/zinc/00/34/96/656003496.db2.gz ZJSYZBLRSVTHNB-SNVBAGLBSA-N 1 1 251.286 -0.486 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(Cc2cccs2)CC1 ZINC000037800880 656004183 /nfs/dbraw/zinc/00/41/83/656004183.db2.gz WSULKTCUXNXQHD-LLVKDONJSA-N 1 1 296.396 -0.405 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000040810315 656005156 /nfs/dbraw/zinc/00/51/56/656005156.db2.gz ZKLPEQRLVWUZOM-IUCAKERBSA-N 1 1 279.296 -0.855 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805533 656005438 /nfs/dbraw/zinc/00/54/38/656005438.db2.gz HQWDUZZTLZTZGP-SECBINFHSA-N 1 1 279.296 -0.723 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040861406 656006079 /nfs/dbraw/zinc/00/60/79/656006079.db2.gz SUYPYRKFDMFQHO-RYUDHWBXSA-N 1 1 289.401 -0.220 10 0 CBAEMO COc1ccc(OC)c(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000040856877 656006457 /nfs/dbraw/zinc/00/64/57/656006457.db2.gz CPWXSKLXUIXCMN-JTQLQIEISA-N 1 1 281.312 -0.477 10 0 CBAEMO CCC[NH+]1CCC(N[C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000042210388 656007782 /nfs/dbraw/zinc/00/77/82/656007782.db2.gz VMTQXYKZLGFJSP-VXGBXAGGSA-N 1 1 276.402 -0.392 10 0 CBAEMO C[N@H+](CCC(=O)N1CCNCC1)C[C@H]1CCCO1 ZINC000053298762 656026170 /nfs/dbraw/zinc/02/61/70/656026170.db2.gz IXEXVZQVYIDLEP-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO C[N@@H+](CCC(=O)N1CCNCC1)C[C@H]1CCCO1 ZINC000053298762 656026174 /nfs/dbraw/zinc/02/61/74/656026174.db2.gz IXEXVZQVYIDLEP-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO Nc1nc(CCNC[C@]2(O)CCC[NH2+]C2)cs1 ZINC000072430467 656042353 /nfs/dbraw/zinc/04/23/53/656042353.db2.gz FWTZSTXRRKLZGH-NSHDSACASA-N 1 1 256.375 -0.028 10 0 CBAEMO CNC(=O)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088371580 656052984 /nfs/dbraw/zinc/05/29/84/656052984.db2.gz XGOGIEOBVNUPLS-LBPRGKRZSA-N 1 1 277.324 -0.349 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996990 656062596 /nfs/dbraw/zinc/06/25/96/656062596.db2.gz PQJLFHMXNNFPRN-LPEHRKFASA-N 1 1 285.344 -0.039 10 0 CBAEMO Cc1nc([C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)CCO2)n[nH]1 ZINC000178847398 656088805 /nfs/dbraw/zinc/08/88/05/656088805.db2.gz LBZMCZBKVVNIOE-JOYOIKCWSA-N 1 1 283.307 -0.285 10 0 CBAEMO CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000227805458 656108768 /nfs/dbraw/zinc/10/87/68/656108768.db2.gz ACAGWPVEZSYSSQ-HLTSFMKQSA-N 1 1 259.375 -0.021 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000227801823 656108834 /nfs/dbraw/zinc/10/88/34/656108834.db2.gz GEADHFWHBXWOKA-SECBINFHSA-N 1 1 251.261 -0.083 10 0 CBAEMO Nc1cnc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000231299679 656113106 /nfs/dbraw/zinc/11/31/06/656113106.db2.gz JLWDRIBJGQXMHH-GFCCVEGCSA-N 1 1 263.345 -0.035 10 0 CBAEMO Nc1cnc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000231299679 656113108 /nfs/dbraw/zinc/11/31/08/656113108.db2.gz JLWDRIBJGQXMHH-GFCCVEGCSA-N 1 1 263.345 -0.035 10 0 CBAEMO CN1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000247243906 656119677 /nfs/dbraw/zinc/11/96/77/656119677.db2.gz ZIVOBWCWSDIZAQ-VIFPVBQESA-N 1 1 266.301 -0.856 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251915361 656122266 /nfs/dbraw/zinc/12/22/66/656122266.db2.gz XNBWSNDVCUBEID-ZJUUUORDSA-N 1 1 297.384 -0.084 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1C ZINC000251797353 656122583 /nfs/dbraw/zinc/12/25/83/656122583.db2.gz NTYHYFXDJCGJLU-QJPTWQEYSA-N 1 1 284.356 -0.025 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261594067 656125528 /nfs/dbraw/zinc/12/55/28/656125528.db2.gz NHUKRPQFKGVPBH-OLZOCXBDSA-N 1 1 268.405 -0.119 10 0 CBAEMO Cc1cccc2oc(CCNC(=O)[C@@H]([NH3+])CC(N)=O)nc21 ZINC000261700455 656126204 /nfs/dbraw/zinc/12/62/04/656126204.db2.gz CXAPEULVCKJEKQ-VIFPVBQESA-N 1 1 290.323 -0.002 10 0 CBAEMO COC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000262019813 656127647 /nfs/dbraw/zinc/12/76/47/656127647.db2.gz AGLYMTHPYGNIMC-WCQYABFASA-N 1 1 287.404 -0.489 10 0 CBAEMO CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+](C)CC2)C1 ZINC000263490854 656134594 /nfs/dbraw/zinc/13/45/94/656134594.db2.gz RBTKZQPBHHTYRE-UHFFFAOYSA-N 1 1 298.387 -0.119 10 0 CBAEMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+](C)CC2)C1 ZINC000263490854 656134596 /nfs/dbraw/zinc/13/45/96/656134596.db2.gz RBTKZQPBHHTYRE-UHFFFAOYSA-N 1 1 298.387 -0.119 10 0 CBAEMO C[C@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCO1 ZINC000712726728 656211374 /nfs/dbraw/zinc/21/13/74/656211374.db2.gz MVQMILRNSATJDF-HZGVNTEJSA-N 1 1 283.250 -0.631 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCc2ccns2)C1 ZINC000719850774 656235850 /nfs/dbraw/zinc/23/58/50/656235850.db2.gz DAOIVLIGLUXXET-LLVKDONJSA-N 1 1 255.343 -0.002 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000900412022 656308408 /nfs/dbraw/zinc/30/84/08/656308408.db2.gz OBRDETNUTMGTPH-NWDGAFQWSA-N 1 1 281.356 -0.460 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1=O ZINC000900412022 656308411 /nfs/dbraw/zinc/30/84/11/656308411.db2.gz OBRDETNUTMGTPH-NWDGAFQWSA-N 1 1 281.356 -0.460 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900709573 656310539 /nfs/dbraw/zinc/31/05/39/656310539.db2.gz NBYULSXUESTFQK-GRYCIOLGSA-N 1 1 281.356 -0.461 10 0 CBAEMO COCC(=O)NC1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907506801 656516460 /nfs/dbraw/zinc/51/64/60/656516460.db2.gz SRTLKFSODRYDBL-OLZOCXBDSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028463 657369311 /nfs/dbraw/zinc/36/93/11/657369311.db2.gz YEHNBXXMOADPAJ-BXKDBHETSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028463 657369317 /nfs/dbraw/zinc/36/93/17/657369317.db2.gz YEHNBXXMOADPAJ-BXKDBHETSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186133 657412466 /nfs/dbraw/zinc/41/24/66/657412466.db2.gz ZYRNPLKZEYPIJO-GVXVVHGQSA-N 1 1 272.345 -0.731 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000929811872 659176187 /nfs/dbraw/zinc/17/61/87/659176187.db2.gz DRQLQZRCKDJHCN-WUHRBBMRSA-N 1 1 258.362 -0.619 10 0 CBAEMO COC(=O)CNC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125285030 187177853 /nfs/dbraw/zinc/17/78/53/187177853.db2.gz YQRRVHBGBBHDDY-LLVKDONJSA-N 1 1 269.345 -0.554 10 0 CBAEMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@H](CCO)C2)C1 ZINC000338313020 214517372 /nfs/dbraw/zinc/51/73/72/214517372.db2.gz GSPLIPCZMCCYBX-NEPJUHHUSA-N 1 1 276.402 -0.028 10 0 CBAEMO NC(=O)[C@@]1(O)CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000367462238 136476335 /nfs/dbraw/zinc/47/63/35/136476335.db2.gz FAQNHNZVEFTXHM-GFCCVEGCSA-N 1 1 261.285 -0.226 10 0 CBAEMO CS(=O)(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000060393025 282672034 /nfs/dbraw/zinc/67/20/34/282672034.db2.gz UUJKPHYEWRBOHW-MNOVXSKESA-N 1 1 262.375 -0.133 10 0 CBAEMO CO[C@@H]1C[C@H](CO)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352092257 219316785 /nfs/dbraw/zinc/31/67/85/219316785.db2.gz JZDLFNUDCJIYEN-JHJVBQTASA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352092257 219316786 /nfs/dbraw/zinc/31/67/86/219316786.db2.gz JZDLFNUDCJIYEN-JHJVBQTASA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352092257 219316790 /nfs/dbraw/zinc/31/67/90/219316790.db2.gz JZDLFNUDCJIYEN-JHJVBQTASA-N 1 1 258.362 -0.477 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000106393768 186113693 /nfs/dbraw/zinc/11/36/93/186113693.db2.gz LKHSQWUBLQSWPU-LLVKDONJSA-N 1 1 296.371 -0.490 10 0 CBAEMO CC(C)[N@H+](CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000111682586 186441154 /nfs/dbraw/zinc/44/11/54/186441154.db2.gz SFMCOLJFSDBILS-SNVBAGLBSA-N 1 1 257.334 -0.835 10 0 CBAEMO [NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@@H]12 ZINC000001851877 351307161 /nfs/dbraw/zinc/30/71/61/351307161.db2.gz ACIOXMJZEFKYHZ-SKDRFNHKSA-O 1 1 292.340 -0.445 10 0 CBAEMO C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c[nH+]c(N)nc21 ZINC000034003523 351383093 /nfs/dbraw/zinc/38/30/93/351383093.db2.gz ZHRLTTOGZNAIAQ-FWSPBBIJSA-N 1 1 280.284 -0.985 10 0 CBAEMO C[C@H](CN1CCO[C@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000119020981 186795628 /nfs/dbraw/zinc/79/56/28/186795628.db2.gz XLKTUOPKEIDHPG-VXGBXAGGSA-N 1 1 278.418 -0.071 10 0 CBAEMO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000048822522 351480139 /nfs/dbraw/zinc/48/01/39/351480139.db2.gz LOFDDPHWXVWUEA-UHFFFAOYSA-N 1 1 288.329 -0.820 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c[nH]cn1 ZINC000070417978 351639481 /nfs/dbraw/zinc/63/94/81/351639481.db2.gz YHVIJLURTASYTI-SECBINFHSA-N 1 1 258.347 -0.018 10 0 CBAEMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COC(C)(C)C ZINC000073020769 351652725 /nfs/dbraw/zinc/65/27/25/351652725.db2.gz KQFUQXWBBYSSNC-LBPRGKRZSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COC(C)(C)C ZINC000073020769 351652727 /nfs/dbraw/zinc/65/27/27/351652727.db2.gz KQFUQXWBBYSSNC-LBPRGKRZSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCN(CC)C(=O)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088370968 351724522 /nfs/dbraw/zinc/72/45/22/351724522.db2.gz VXZBXVHUKNYHEE-GFCCVEGCSA-N 1 1 298.387 -0.419 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nncn2C)C[C@H]1C ZINC000105824705 351791534 /nfs/dbraw/zinc/79/15/34/351791534.db2.gz DUYKFZZUCCZLOA-GHMZBOCLSA-N 1 1 253.350 -0.298 10 0 CBAEMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000111689010 351805252 /nfs/dbraw/zinc/80/52/52/351805252.db2.gz RUORNGGDTZTBRS-STQMWFEESA-N 1 1 297.399 -0.053 10 0 CBAEMO CC[C@@H]1CN([C@@H]2CCN(C)C2=O)CC[N@H+]1C[C@@H](C)O ZINC000116277974 351821723 /nfs/dbraw/zinc/82/17/23/351821723.db2.gz NWEPVLRUPPKASI-JHJVBQTASA-N 1 1 269.389 -0.006 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC000117424402 351826183 /nfs/dbraw/zinc/82/61/83/351826183.db2.gz WOLZURAWNIRKHE-LLVKDONJSA-N 1 1 271.361 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC000117424402 351826190 /nfs/dbraw/zinc/82/61/90/351826190.db2.gz WOLZURAWNIRKHE-LLVKDONJSA-N 1 1 271.361 -0.308 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCCNC(C)=O)C[C@H]1C ZINC000117469825 351826750 /nfs/dbraw/zinc/82/67/50/351826750.db2.gz ZXTBQWDULJTSIH-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCCNC(C)=O)C[C@H]1C ZINC000117469825 351826753 /nfs/dbraw/zinc/82/67/53/351826753.db2.gz ZXTBQWDULJTSIH-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)CN(C)C1=O ZINC000113232037 351812905 /nfs/dbraw/zinc/81/29/05/351812905.db2.gz DTXGXNUBFPWJTC-WDEREUQCSA-N 1 1 294.355 -0.425 10 0 CBAEMO Cc1ncc(Br)c(=O)n1C[C@@H]([NH3+])C(N)=O ZINC000127848414 351864418 /nfs/dbraw/zinc/86/44/18/351864418.db2.gz OSBGQYPIXHKKPR-ZCFIWIBFSA-N 1 1 275.106 -0.873 10 0 CBAEMO CN1CCN(C)[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129756979 351875041 /nfs/dbraw/zinc/87/50/41/351875041.db2.gz WLDOVGAJMSVKNC-ZDUSSCGKSA-N 1 1 297.447 -0.968 10 0 CBAEMO C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)C[NH+]1CCOCC1 ZINC000150717868 351931337 /nfs/dbraw/zinc/93/13/37/351931337.db2.gz NZFGBARQYKAZAT-MNOVXSKESA-N 1 1 269.345 -0.793 10 0 CBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000131857123 351888883 /nfs/dbraw/zinc/88/88/83/351888883.db2.gz WEXWDQYLCBFOAH-QWRGUYRKSA-N 1 1 268.361 -0.144 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC000134352478 351905787 /nfs/dbraw/zinc/90/57/87/351905787.db2.gz SMNQAOBRZUVNKC-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC000134352478 351905790 /nfs/dbraw/zinc/90/57/90/351905790.db2.gz SMNQAOBRZUVNKC-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000135242129 351912813 /nfs/dbraw/zinc/91/28/13/351912813.db2.gz QDJPHWRIVNNWLF-JTQLQIEISA-N 1 1 252.318 -0.087 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000135242129 351912815 /nfs/dbraw/zinc/91/28/15/351912815.db2.gz QDJPHWRIVNNWLF-JTQLQIEISA-N 1 1 252.318 -0.087 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000159557493 351964821 /nfs/dbraw/zinc/96/48/21/351964821.db2.gz QITQKVFLDTZQRA-NXEZZACHSA-N 1 1 255.318 -0.817 10 0 CBAEMO CC1(C)NC(=O)N(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000171584598 352013192 /nfs/dbraw/zinc/01/31/92/352013192.db2.gz SBRYDWJCCWHOIR-JTQLQIEISA-N 1 1 294.355 -0.377 10 0 CBAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NN1CC(=O)NC1=O ZINC000171605802 352013974 /nfs/dbraw/zinc/01/39/74/352013974.db2.gz QMUWCAHOZUFIAM-NSHDSACASA-N 1 1 290.323 -0.258 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000170913116 352004897 /nfs/dbraw/zinc/00/48/97/352004897.db2.gz UYPWOLAQOWEQCO-SNVBAGLBSA-N 1 1 263.363 -0.735 10 0 CBAEMO C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH+]1CCOCC1 ZINC000173838187 352042389 /nfs/dbraw/zinc/04/23/89/352042389.db2.gz QFUCUHXQMBSQPA-QWHCGFSZSA-N 1 1 293.371 -0.153 10 0 CBAEMO CN1C(=O)C[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000174006105 352043321 /nfs/dbraw/zinc/04/33/21/352043321.db2.gz SKSMBHCMABVEQK-WDEREUQCSA-N 1 1 267.329 -0.850 10 0 CBAEMO CN1C(=O)C[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000174006105 352043329 /nfs/dbraw/zinc/04/33/29/352043329.db2.gz SKSMBHCMABVEQK-WDEREUQCSA-N 1 1 267.329 -0.850 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173939592 352043603 /nfs/dbraw/zinc/04/36/03/352043603.db2.gz OBHHJVVDFXWSNL-LBPRGKRZSA-N 1 1 298.387 -0.371 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173939592 352043604 /nfs/dbraw/zinc/04/36/04/352043604.db2.gz OBHHJVVDFXWSNL-LBPRGKRZSA-N 1 1 298.387 -0.371 10 0 CBAEMO CCNC(=O)CC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000174077523 352044703 /nfs/dbraw/zinc/04/47/03/352044703.db2.gz CRZPFCZIGSWGKU-LBPRGKRZSA-N 1 1 257.378 -0.099 10 0 CBAEMO CC[C@@H](O)CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000174080003 352044746 /nfs/dbraw/zinc/04/47/46/352044746.db2.gz ZEEADWNSCSCAPZ-ZIAGYGMSSA-N 1 1 282.388 -0.368 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCNC1=O ZINC000177699203 352074934 /nfs/dbraw/zinc/07/49/34/352074934.db2.gz YOYZAZBCGRCOTE-LLVKDONJSA-N 1 1 268.361 -0.046 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CCNC1=O ZINC000177699218 352075128 /nfs/dbraw/zinc/07/51/28/352075128.db2.gz YOYZAZBCGRCOTE-NSHDSACASA-N 1 1 268.361 -0.046 10 0 CBAEMO O=C(NCCN1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171896377 352017539 /nfs/dbraw/zinc/01/75/39/352017539.db2.gz DOQVIQNHUJJIOW-ZDUSSCGKSA-N 1 1 282.388 -0.192 10 0 CBAEMO CCCC[N@H+](CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000171883288 352017802 /nfs/dbraw/zinc/01/78/02/352017802.db2.gz NSYJANDBCSPTOQ-NSHDSACASA-N 1 1 271.361 -0.443 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171897663 352018017 /nfs/dbraw/zinc/01/80/17/352018017.db2.gz BQICROOWFXYRBM-LLVKDONJSA-N 1 1 254.334 -0.388 10 0 CBAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172100796 352021083 /nfs/dbraw/zinc/02/10/83/352021083.db2.gz WRFYRVITTOTXFR-QWHCGFSZSA-N 1 1 286.372 -0.557 10 0 CBAEMO O=C(NCCN1C(=O)CCC1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172228428 352023700 /nfs/dbraw/zinc/02/37/00/352023700.db2.gz OGFGXGYFQAODFN-LLVKDONJSA-N 1 1 294.355 -0.375 10 0 CBAEMO O=C(Nc1ccon1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000186128614 352123738 /nfs/dbraw/zinc/12/37/38/352123738.db2.gz YZFXZOGJAPXRML-VIFPVBQESA-N 1 1 264.285 -0.080 10 0 CBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000186181244 352124451 /nfs/dbraw/zinc/12/44/51/352124451.db2.gz JVRIOVBSWJBQJC-LLVKDONJSA-N 1 1 268.361 -0.046 10 0 CBAEMO COCC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000186316046 352126121 /nfs/dbraw/zinc/12/61/21/352126121.db2.gz VSWLWYRSWHRJDA-UHFFFAOYSA-N 1 1 257.334 -0.700 10 0 CBAEMO CC[N@@H+](CC(=O)N1CC(NC(=O)COC)C1)C1CC1 ZINC000186316266 352126807 /nfs/dbraw/zinc/12/68/07/352126807.db2.gz FWYAVRDUDYXJMD-UHFFFAOYSA-N 1 1 269.345 -0.556 10 0 CBAEMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1N1CCOCC1 ZINC000178208974 352077327 /nfs/dbraw/zinc/07/73/27/352077327.db2.gz MURDTKPIRQQJTB-UTUOFQBUSA-N 1 1 253.346 -0.473 10 0 CBAEMO C[NH2+]CCCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000178774365 352083381 /nfs/dbraw/zinc/08/33/81/352083381.db2.gz ZDRHPONNSYQYCD-VXGBXAGGSA-N 1 1 257.378 -0.101 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000179172406 352088475 /nfs/dbraw/zinc/08/84/75/352088475.db2.gz QUSDLIQWSIWLBW-AAVRWANBSA-N 1 1 298.383 -0.416 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000179172406 352088477 /nfs/dbraw/zinc/08/84/77/352088477.db2.gz QUSDLIQWSIWLBW-AAVRWANBSA-N 1 1 298.383 -0.416 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)C[C@@H](C)O1 ZINC000179183606 352088775 /nfs/dbraw/zinc/08/87/75/352088775.db2.gz NZSIMUQQNOJLQA-DDHJBXDOSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)C[C@@H](C)O1 ZINC000179183606 352088779 /nfs/dbraw/zinc/08/87/79/352088779.db2.gz NZSIMUQQNOJLQA-DDHJBXDOSA-N 1 1 272.345 -0.950 10 0 CBAEMO COCCCOCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000181068750 352097346 /nfs/dbraw/zinc/09/73/46/352097346.db2.gz PGEWWOPELCMUCR-QWHCGFSZSA-N 1 1 288.388 -0.047 10 0 CBAEMO COCCCOCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000181068750 352097348 /nfs/dbraw/zinc/09/73/48/352097348.db2.gz PGEWWOPELCMUCR-QWHCGFSZSA-N 1 1 288.388 -0.047 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](C(=O)NC)C2)C1 ZINC000181660258 352101015 /nfs/dbraw/zinc/10/10/15/352101015.db2.gz JYJMDMZHTJZIPM-NEPJUHHUSA-N 1 1 298.387 -0.373 10 0 CBAEMO CC[C@@H]1CN(C(=O)CN(C)C)CC[N@H+]1C[C@@H](C)O ZINC000182736998 352105292 /nfs/dbraw/zinc/10/52/92/352105292.db2.gz XCZQKOZYAGFJAV-VXGBXAGGSA-N 1 1 257.378 -0.148 10 0 CBAEMO C[C@H](CS(C)(=O)=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000182567577 352105506 /nfs/dbraw/zinc/10/55/06/352105506.db2.gz SIFKDIOIPDNUIK-VXGBXAGGSA-N 1 1 278.418 -0.144 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccn(C)n2)C[C@@H]1C ZINC000183685998 352108970 /nfs/dbraw/zinc/10/89/70/352108970.db2.gz GUTNSUQKTOVMKV-NWDGAFQWSA-N 1 1 280.372 -0.124 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000185160704 352116013 /nfs/dbraw/zinc/11/60/13/352116013.db2.gz UNGHBXXHRAYTJO-VXGBXAGGSA-N 1 1 268.357 -0.281 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000185160704 352116016 /nfs/dbraw/zinc/11/60/16/352116016.db2.gz UNGHBXXHRAYTJO-VXGBXAGGSA-N 1 1 268.357 -0.281 10 0 CBAEMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000185147242 352116092 /nfs/dbraw/zinc/11/60/92/352116092.db2.gz KCQBZOFAMJLVJZ-YVECIDJPSA-N 1 1 270.373 -0.082 10 0 CBAEMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)C1 ZINC000185147242 352116093 /nfs/dbraw/zinc/11/60/93/352116093.db2.gz KCQBZOFAMJLVJZ-YVECIDJPSA-N 1 1 270.373 -0.082 10 0 CBAEMO CCc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CCO2)[nH]1 ZINC000188925000 352161467 /nfs/dbraw/zinc/16/14/67/352161467.db2.gz DVLSVXURMYWUEG-AEJSXWLSSA-N 1 1 297.334 -0.033 10 0 CBAEMO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1COCC[NH2+]1 ZINC000227333078 352256134 /nfs/dbraw/zinc/25/61/34/352256134.db2.gz LHWMCONBDMJGAJ-FRRDWIJNSA-N 1 1 262.309 -0.251 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000227567438 352258045 /nfs/dbraw/zinc/25/80/45/352258045.db2.gz QHSNHKABSSKAPR-JTQLQIEISA-N 1 1 257.334 -0.074 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(NC)cn2)C1 ZINC000230117299 352271124 /nfs/dbraw/zinc/27/11/24/352271124.db2.gz POPJEIQUDNVMGY-SNVBAGLBSA-N 1 1 279.344 -0.031 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)c2cnc(NC)cn2)C1 ZINC000230117299 352271127 /nfs/dbraw/zinc/27/11/27/352271127.db2.gz POPJEIQUDNVMGY-SNVBAGLBSA-N 1 1 279.344 -0.031 10 0 CBAEMO COc1c(C[NH2+]CCS(=O)(=O)N(C)C)c(C)nn1C ZINC000230987968 352275164 /nfs/dbraw/zinc/27/51/64/352275164.db2.gz NXGLIQHNRNWDFY-UHFFFAOYSA-N 1 1 290.389 -0.282 10 0 CBAEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224245853 352246510 /nfs/dbraw/zinc/24/65/10/352246510.db2.gz HCNKZQIHJPABAI-QWRGUYRKSA-N 1 1 253.346 -0.031 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245436285 352320330 /nfs/dbraw/zinc/32/03/30/352320330.db2.gz UWMRNFKCRFWPJF-MNOVXSKESA-N 1 1 274.386 -0.026 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245436285 352320332 /nfs/dbraw/zinc/32/03/32/352320332.db2.gz UWMRNFKCRFWPJF-MNOVXSKESA-N 1 1 274.386 -0.026 10 0 CBAEMO COC[C@H](O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245549946 352322377 /nfs/dbraw/zinc/32/23/77/352322377.db2.gz ZSQLMMNZFTWQPE-YNEHKIRRSA-N 1 1 258.362 -0.354 10 0 CBAEMO COCCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245862562 352324899 /nfs/dbraw/zinc/32/48/99/352324899.db2.gz PGEWWOPELCMUCR-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO COCCCOCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245862562 352324901 /nfs/dbraw/zinc/32/49/01/352324901.db2.gz PGEWWOPELCMUCR-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CCNC(=O)C1 ZINC000246270080 352330264 /nfs/dbraw/zinc/33/02/64/352330264.db2.gz ZPSFHCQKWDLWLE-GFCCVEGCSA-N 1 1 280.372 -0.885 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246323928 352331035 /nfs/dbraw/zinc/33/10/35/352331035.db2.gz ZCWHMMMDRITGCY-UWVGGRQHSA-N 1 1 265.379 -0.772 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246323928 352331037 /nfs/dbraw/zinc/33/10/37/352331037.db2.gz ZCWHMMMDRITGCY-UWVGGRQHSA-N 1 1 265.379 -0.772 10 0 CBAEMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1N1CCOCC1 ZINC000246299652 352331378 /nfs/dbraw/zinc/33/13/78/352331378.db2.gz BSLAFUWNXBVPRA-AGIUHOORSA-N 1 1 267.373 -0.130 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000246298101 352331675 /nfs/dbraw/zinc/33/16/75/352331675.db2.gz CWFBGLIROXXGSR-HZSPNIEDSA-N 1 1 298.383 -0.151 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000246298101 352331678 /nfs/dbraw/zinc/33/16/78/352331678.db2.gz CWFBGLIROXXGSR-HZSPNIEDSA-N 1 1 298.383 -0.151 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000246391620 352332237 /nfs/dbraw/zinc/33/22/37/352332237.db2.gz JWRNVXUVFYSKSX-ZDUSSCGKSA-N 1 1 287.404 -0.208 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246391620 352332242 /nfs/dbraw/zinc/33/22/42/352332242.db2.gz JWRNVXUVFYSKSX-ZDUSSCGKSA-N 1 1 287.404 -0.208 10 0 CBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000246505603 352334292 /nfs/dbraw/zinc/33/42/92/352334292.db2.gz SISXZTWNONZKJE-VHSXEESVSA-N 1 1 292.405 -0.697 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246537543 352335422 /nfs/dbraw/zinc/33/54/22/352335422.db2.gz SNTZWTBXCHZSIY-WDEREUQCSA-N 1 1 284.360 -0.906 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC000246926443 352339644 /nfs/dbraw/zinc/33/96/44/352339644.db2.gz JJOOZJQCXHFPDM-QWRGUYRKSA-N 1 1 294.355 -0.377 10 0 CBAEMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247015116 352341295 /nfs/dbraw/zinc/34/12/95/352341295.db2.gz OUAXACCZOAJUFE-ZIAGYGMSSA-N 1 1 299.415 -0.066 10 0 CBAEMO CCOCC[N@H+]1CCN(CCC(=O)NC(N)=O)C[C@H]1C ZINC000247165715 352343354 /nfs/dbraw/zinc/34/33/54/352343354.db2.gz MQGHDOFPUAVBMO-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCCN1CC[N@H+](CCC(=O)NC(N)=O)C[C@H]1C ZINC000247165715 352343357 /nfs/dbraw/zinc/34/33/57/352343357.db2.gz MQGHDOFPUAVBMO-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCCN1CC[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C ZINC000247165715 352343359 /nfs/dbraw/zinc/34/33/59/352343359.db2.gz MQGHDOFPUAVBMO-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC(=O)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247154463 352343597 /nfs/dbraw/zinc/34/35/97/352343597.db2.gz LVEGRXXTBIJBDX-AWEZNQCLSA-N 1 1 294.399 -0.543 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000247316943 352346322 /nfs/dbraw/zinc/34/63/22/352346322.db2.gz WRFYRVITTOTXFR-CHWSQXEVSA-N 1 1 286.372 -0.557 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCC(N)=O ZINC000247540096 352347482 /nfs/dbraw/zinc/34/74/82/352347482.db2.gz YIMOARLGFDUIFJ-UWVGGRQHSA-N 1 1 271.386 -0.100 10 0 CBAEMO C[C@H]1CN(CC[N@@H+]2CCCNC(=O)[C@H]2C)CCO1 ZINC000249217532 352361751 /nfs/dbraw/zinc/36/17/51/352361751.db2.gz FIEJTEWUUKZMSD-NWDGAFQWSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@H]1CN(CC[N@H+]2CCCNC(=O)[C@H]2C)CCO1 ZINC000249217532 352361755 /nfs/dbraw/zinc/36/17/55/352361755.db2.gz FIEJTEWUUKZMSD-NWDGAFQWSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC(C)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1=O ZINC000261900740 352399483 /nfs/dbraw/zinc/39/94/83/352399483.db2.gz AGLHNRLCQPZPQL-VWYCJHECSA-N 1 1 269.345 -0.511 10 0 CBAEMO COCCO[C@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000249376563 352364425 /nfs/dbraw/zinc/36/44/25/352364425.db2.gz OFTAUDBUDRXUAW-OLZOCXBDSA-N 1 1 286.372 -0.293 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000261888000 352399835 /nfs/dbraw/zinc/39/98/35/352399835.db2.gz GCBJSJXZHPOPMO-XCBNKYQSSA-N 1 1 266.301 -0.561 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 ZINC000261559628 352388234 /nfs/dbraw/zinc/38/82/34/352388234.db2.gz DVBLPYAXRHQMAC-OPRDCNLKSA-N 1 1 252.318 -0.793 10 0 CBAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261649275 352392124 /nfs/dbraw/zinc/39/21/24/352392124.db2.gz AHVSURSJZOEBJE-CYBMUJFWSA-N 1 1 299.415 -0.033 10 0 CBAEMO Cn1c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261769769 352396443 /nfs/dbraw/zinc/39/64/43/352396443.db2.gz OQRXFAHSNRFDSV-WCQGTBRESA-N 1 1 278.356 -0.747 10 0 CBAEMO CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CCN1C[C@H](C)O ZINC000261851606 352398336 /nfs/dbraw/zinc/39/83/36/352398336.db2.gz MJZPZMAXWVXCLY-QWHCGFSZSA-N 1 1 299.415 -0.202 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000261857152 352398773 /nfs/dbraw/zinc/39/87/73/352398773.db2.gz BTLDODXXEHTKRP-YPMHNXCESA-N 1 1 283.372 -0.118 10 0 CBAEMO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261868696 352398846 /nfs/dbraw/zinc/39/88/46/352398846.db2.gz CVPXGZRJRVPQFW-ZDCRXTMVSA-N 1 1 271.361 -0.217 10 0 CBAEMO C[C@@H]1COC[C@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000262254430 352412260 /nfs/dbraw/zinc/41/22/60/352412260.db2.gz XBHIBFIXTSOQBW-TXEJJXNPSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCC(=O)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262250122 352412437 /nfs/dbraw/zinc/41/24/37/352412437.db2.gz LNXQPVATPMMOLK-SCVCMEIPSA-N 1 1 269.345 -0.510 10 0 CBAEMO COC[C@@H](N)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262281554 352413311 /nfs/dbraw/zinc/41/33/11/352413311.db2.gz LWBKPHARYJWEEP-CYBMUJFWSA-N 1 1 285.388 -0.469 10 0 CBAEMO COCCOC[C@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262305002 352415172 /nfs/dbraw/zinc/41/51/72/352415172.db2.gz PZKCLNRGBMDVSW-AGIUHOORSA-N 1 1 286.372 -0.125 10 0 CBAEMO CC[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)N1CCOCC1 ZINC000262316227 352415285 /nfs/dbraw/zinc/41/52/85/352415285.db2.gz QVJVYDQIIWNLNF-UTUOFQBUSA-N 1 1 299.371 -0.883 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262317562 352415791 /nfs/dbraw/zinc/41/57/91/352415791.db2.gz QYTJAEWGDVOXJH-UTUOFQBUSA-N 1 1 255.362 -0.036 10 0 CBAEMO CNC(=O)CC1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262407313 352420451 /nfs/dbraw/zinc/42/04/51/352420451.db2.gz YYGLXXMZWGEPIJ-MFKMUULPSA-N 1 1 283.372 -0.262 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000262583153 352427847 /nfs/dbraw/zinc/42/78/47/352427847.db2.gz UVQUOUAXKDEBGR-WCBMZHEXSA-N 1 1 278.374 -0.616 10 0 CBAEMO COC[C@H]([NH3+])C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000263241283 352440344 /nfs/dbraw/zinc/44/03/44/352440344.db2.gz LFLMZNOBRKFUKA-RYUDHWBXSA-N 1 1 273.377 -0.567 10 0 CBAEMO C[C@H](Cn1cncn1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262033257 352404291 /nfs/dbraw/zinc/40/42/91/352404291.db2.gz XSCDYKGDIVPXIS-BBBLOLIVSA-N 1 1 253.306 -0.840 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000262055995 352405009 /nfs/dbraw/zinc/40/50/09/352405009.db2.gz AMAJHEYBHCGPGH-SKDRFNHKSA-N 1 1 291.355 -0.125 10 0 CBAEMO O=C(CC[N@H+]1CC[C@@H](CCO)C1)N1CCNCC1 ZINC000262060310 352405092 /nfs/dbraw/zinc/40/50/92/352405092.db2.gz JANRWRVSQTZLOR-LBPRGKRZSA-N 1 1 255.362 -0.487 10 0 CBAEMO O=C(CC[N@@H+]1CC[C@@H](CCO)C1)N1CCNCC1 ZINC000262060310 352405093 /nfs/dbraw/zinc/40/50/93/352405093.db2.gz JANRWRVSQTZLOR-LBPRGKRZSA-N 1 1 255.362 -0.487 10 0 CBAEMO Cc1nnsc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310169921 352758350 /nfs/dbraw/zinc/75/83/50/352758350.db2.gz TUNCJVVJGBQPCH-SNVBAGLBSA-N 1 1 256.331 -0.341 10 0 CBAEMO Cc1nnsc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310169921 352758352 /nfs/dbraw/zinc/75/83/52/352758352.db2.gz TUNCJVVJGBQPCH-SNVBAGLBSA-N 1 1 256.331 -0.341 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336812503 353058208 /nfs/dbraw/zinc/05/82/08/353058208.db2.gz RLPFFKROAVHUNP-YPMHNXCESA-N 1 1 274.361 -0.524 10 0 CBAEMO CCS(=O)(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000343201480 353259363 /nfs/dbraw/zinc/25/93/63/353259363.db2.gz HRTLKXJLIXYJEV-UWVGGRQHSA-N 1 1 250.364 -0.013 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCOCC2)[N@@H+](C)C1 ZINC000345142551 353312748 /nfs/dbraw/zinc/31/27/48/353312748.db2.gz WVVIXVXMFNAJGJ-STQMWFEESA-N 1 1 285.388 -0.504 10 0 CBAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375495672 353762004 /nfs/dbraw/zinc/76/20/04/353762004.db2.gz ACFLJJCATYLIKC-RISCZKNCSA-N 1 1 283.372 -0.300 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401514288 353802352 /nfs/dbraw/zinc/80/23/52/353802352.db2.gz YDULAEANYZQQES-RYUDHWBXSA-N 1 1 285.388 -0.326 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401514288 353802354 /nfs/dbraw/zinc/80/23/54/353802354.db2.gz YDULAEANYZQQES-RYUDHWBXSA-N 1 1 285.388 -0.326 10 0 CBAEMO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000404192146 353805775 /nfs/dbraw/zinc/80/57/75/353805775.db2.gz LPVNCHJJPJSLOE-MNOVXSKESA-N 1 1 286.357 -0.829 10 0 CBAEMO Cc1n[nH]cc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404218167 353806723 /nfs/dbraw/zinc/80/67/23/353806723.db2.gz ZKNMBSGROTYGDU-UWVGGRQHSA-N 1 1 286.357 -0.530 10 0 CBAEMO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C1 ZINC000389093385 353790582 /nfs/dbraw/zinc/79/05/82/353790582.db2.gz CVEDMEQXAJCHDH-JTQLQIEISA-N 1 1 293.389 -0.590 10 0 CBAEMO CO[C@@H]1COC[C@@H]1[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000428192976 354246352 /nfs/dbraw/zinc/24/63/52/354246352.db2.gz YFXCKTBTDIZXDG-MJDLHHQISA-N 1 1 254.330 -0.014 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000556726332 354680851 /nfs/dbraw/zinc/68/08/51/354680851.db2.gz IRLHRRRTKPTOCL-DGCLKSJQSA-N 1 1 272.345 -0.506 10 0 CBAEMO Cc1ccc(S(=O)(=O)NCC[C@@H](N)C[NH3+])cc1 ZINC000584610369 355033430 /nfs/dbraw/zinc/03/34/30/355033430.db2.gz GBVUWKZDTHLAJU-SNVBAGLBSA-N 1 1 257.359 -0.051 10 0 CBAEMO CNc1ccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616640170 356104933 /nfs/dbraw/zinc/10/49/33/356104933.db2.gz XLDKRQIPILSVII-LLVKDONJSA-N 1 1 270.358 -0.122 10 0 CBAEMO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000616639342 356105212 /nfs/dbraw/zinc/10/52/12/356105212.db2.gz TYAVSNFTZDBZKY-VIFPVBQESA-N 1 1 293.389 -0.256 10 0 CBAEMO CC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616600874 356101422 /nfs/dbraw/zinc/10/14/22/356101422.db2.gz JOOKGVYBRXDNTP-LBPRGKRZSA-N 1 1 298.368 -0.205 10 0 CBAEMO Nc1ccccc1[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616602585 356102621 /nfs/dbraw/zinc/10/26/21/356102621.db2.gz SOSUTOCADCNARM-JTQLQIEISA-N 1 1 256.331 -0.581 10 0 CBAEMO C[NH2+]CCOCCN(C)c1ccncc1C(N)=O ZINC000630529343 356848228 /nfs/dbraw/zinc/84/82/28/356848228.db2.gz WMTKEMUGMXJGQU-UHFFFAOYSA-N 1 1 252.318 -0.147 10 0 CBAEMO CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000631553506 356894579 /nfs/dbraw/zinc/89/45/79/356894579.db2.gz UMVPOPUINYCONX-NEPJUHHUSA-N 1 1 293.371 -0.084 10 0 CBAEMO C[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CNCCO1 ZINC000638106637 357419658 /nfs/dbraw/zinc/41/96/58/357419658.db2.gz COPBUYKLGCQUOF-WCQYABFASA-N 1 1 253.346 -0.329 10 0 CBAEMO C[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CNCCO1 ZINC000638106637 357419660 /nfs/dbraw/zinc/41/96/60/357419660.db2.gz COPBUYKLGCQUOF-WCQYABFASA-N 1 1 253.346 -0.329 10 0 CBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC000639940741 357618711 /nfs/dbraw/zinc/61/87/11/357618711.db2.gz OFSVKHZRSGSXEC-DGCLKSJQSA-N 1 1 283.372 -0.478 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000261870233 291209766 /nfs/dbraw/zinc/20/97/66/291209766.db2.gz DBUKCENQWQGGKY-WZRBSPASSA-N 1 1 283.372 -0.133 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000262260298 291209979 /nfs/dbraw/zinc/20/99/79/291209979.db2.gz MFHXMNAOMNLCDV-OSMZGAPFSA-N 1 1 281.356 -0.508 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000262371482 291210671 /nfs/dbraw/zinc/21/06/71/291210671.db2.gz WFKATUCJIWNPMS-KHQFGBGNSA-N 1 1 282.262 -0.111 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ncnn2C)CC1 ZINC000181269777 189292869 /nfs/dbraw/zinc/29/28/69/189292869.db2.gz GHCRXWBFJPDOOF-SNVBAGLBSA-N 1 1 282.348 -0.265 10 0 CBAEMO C[N@H+]1CCO[C@@H]2CN(c3nnc(Cl)cc3C(N)=O)C[C@H]21 ZINC000301659316 201120997 /nfs/dbraw/zinc/12/09/97/201120997.db2.gz MCQFDELRYYTECX-RKDXNWHRSA-N 1 1 297.746 -0.252 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247506818 299337447 /nfs/dbraw/zinc/33/74/47/299337447.db2.gz VLLIQAHPVNTFIJ-GARJFASQSA-N 1 1 289.401 -0.381 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000088371779 296056379 /nfs/dbraw/zinc/05/63/79/296056379.db2.gz YZLZBKZHPJXRSJ-VIFPVBQESA-N 1 1 281.278 -0.319 10 0 CBAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nc(=O)n(C)[nH]1 ZINC000333089418 205021157 /nfs/dbraw/zinc/02/11/57/205021157.db2.gz SIMCKQDHIZMIQN-GHMZBOCLSA-N 1 1 281.360 -0.597 10 0 CBAEMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2nccn(C)c2=O)CC1 ZINC000333117182 205044089 /nfs/dbraw/zinc/04/40/89/205044089.db2.gz YZYLEWRMTRUGNR-SNVBAGLBSA-N 1 1 295.343 -0.689 10 0 CBAEMO CCOC[C@H](O)CN1CC[NH+](CCC(=O)OC)CC1 ZINC000113164010 372789049 /nfs/dbraw/zinc/78/90/49/372789049.db2.gz SOTBOVXPBOTWQU-GFCCVEGCSA-N 1 1 274.361 -0.436 10 0 CBAEMO CCCS(=O)(=O)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786834 372789645 /nfs/dbraw/zinc/78/96/45/372789645.db2.gz KKVZTZVXNKAAJB-LLVKDONJSA-N 1 1 292.401 -0.400 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919576 372783170 /nfs/dbraw/zinc/78/31/70/372783170.db2.gz NTXIUZDMSRGOOF-LLVKDONJSA-N 1 1 295.343 -0.721 10 0 CBAEMO C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171749732 372830758 /nfs/dbraw/zinc/83/07/58/372830758.db2.gz NOCJHLHJEOXWEO-KBPBESRZSA-N 1 1 297.447 -0.032 10 0 CBAEMO C[C@H](O)C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)CO ZINC000190927033 372858309 /nfs/dbraw/zinc/85/83/09/372858309.db2.gz MWHIOLLBOMXTEO-SDDRHHMPSA-N 1 1 274.361 -0.967 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247506803 372887140 /nfs/dbraw/zinc/88/71/40/372887140.db2.gz VLLIQAHPVNTFIJ-DCAQKATOSA-N 1 1 289.401 -0.381 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCS(N)(=O)=O ZINC000247494252 372887176 /nfs/dbraw/zinc/88/71/76/372887176.db2.gz UMBTXMPURSWOEV-QWRGUYRKSA-N 1 1 261.391 -0.167 10 0 CBAEMO [NH3+]Cc1nc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)no1 ZINC000261881712 372906190 /nfs/dbraw/zinc/90/61/90/372906190.db2.gz YNJNMMCSZAEZSA-BDAKNGLRSA-N 1 1 265.317 -0.229 10 0 CBAEMO CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000262793946 372911479 /nfs/dbraw/zinc/91/14/79/372911479.db2.gz OVODMISHNJLJGT-TUAOUCFPSA-N 1 1 273.377 -0.736 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000344891905 217348678 /nfs/dbraw/zinc/34/86/78/217348678.db2.gz BTZVCXJRPKVDCQ-GARJFASQSA-N 1 1 265.375 -0.251 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000344891905 217348682 /nfs/dbraw/zinc/34/86/82/217348682.db2.gz BTZVCXJRPKVDCQ-GARJFASQSA-N 1 1 265.375 -0.251 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000344897986 217350069 /nfs/dbraw/zinc/35/00/69/217350069.db2.gz JADXWYUUCYVVKF-GHMZBOCLSA-N 1 1 280.390 -0.651 10 0 CBAEMO CC(C)N1CC[C@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000367003118 373533111 /nfs/dbraw/zinc/53/31/11/373533111.db2.gz MEHQYINEBVIOKB-GXFFZTMASA-N 1 1 269.345 -0.692 10 0 CBAEMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCn3ccnc3C2)C1 ZINC000583623261 374363422 /nfs/dbraw/zinc/36/34/22/374363422.db2.gz NWQJJPRKQCJUBJ-NWDGAFQWSA-N 1 1 278.356 -0.108 10 0 CBAEMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCn3ccnc3C2)C1 ZINC000583623261 374363431 /nfs/dbraw/zinc/36/34/31/374363431.db2.gz NWQJJPRKQCJUBJ-NWDGAFQWSA-N 1 1 278.356 -0.108 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1O ZINC000647038581 374868266 /nfs/dbraw/zinc/86/82/66/374868266.db2.gz LURSNNMGIUQIMM-RDDDGLTNSA-N 1 1 254.261 -0.159 10 0 CBAEMO NC(=[NH2+])NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000256006737 190001007 /nfs/dbraw/zinc/00/10/07/190001007.db2.gz VJTGTAXIBGEMCI-UHFFFAOYSA-N 1 1 267.266 -0.035 10 0 CBAEMO C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)c1cnn(C)c1 ZINC000262016674 190047059 /nfs/dbraw/zinc/04/70/59/190047059.db2.gz CLWBZRHWGBXEEZ-YPMHNXCESA-N 1 1 293.371 -0.194 10 0 CBAEMO CN[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000262359006 190053315 /nfs/dbraw/zinc/05/33/15/190053315.db2.gz KCARRKKPWBSVQC-VXGBXAGGSA-N 1 1 265.361 -0.109 10 0 CBAEMO C[NH2+][C@@H](C(=O)NC[C@H](C)N1CCOCC1)c1cnn(C)c1 ZINC000262449098 190055660 /nfs/dbraw/zinc/05/56/60/190055660.db2.gz VTKGRYVZNBOWTM-WCQYABFASA-N 1 1 295.387 -0.483 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000088371778 284577318 /nfs/dbraw/zinc/57/73/18/284577318.db2.gz YZLZBKZHPJXRSJ-SECBINFHSA-N 1 1 281.278 -0.319 10 0 CBAEMO CCOCC[N@H+]1CCN(CCC(=O)NC(N)=O)C[C@@H]1C ZINC000105903005 207367702 /nfs/dbraw/zinc/36/77/02/207367702.db2.gz MQGHDOFPUAVBMO-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCCN1CC[N@H+](CCC(=O)NC(N)=O)C[C@@H]1C ZINC000105903005 207367705 /nfs/dbraw/zinc/36/77/05/207367705.db2.gz MQGHDOFPUAVBMO-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CCOCCN1CC[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C ZINC000105903005 207367713 /nfs/dbraw/zinc/36/77/13/207367713.db2.gz MQGHDOFPUAVBMO-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184208247 285067011 /nfs/dbraw/zinc/06/70/11/285067011.db2.gz MRXOHASUJJHOAA-GHMZBOCLSA-N 1 1 259.350 -0.271 10 0 CBAEMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]21 ZINC000247832813 256696559 /nfs/dbraw/zinc/69/65/59/256696559.db2.gz IBEWDJHKFZMNQS-BFHYXJOUSA-N 1 1 298.383 -0.029 10 0 CBAEMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]21 ZINC000247832813 256696560 /nfs/dbraw/zinc/69/65/60/256696560.db2.gz IBEWDJHKFZMNQS-BFHYXJOUSA-N 1 1 298.383 -0.029 10 0 CBAEMO C[C@H](c1cnccn1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000095068141 184930635 /nfs/dbraw/zinc/93/06/35/184930635.db2.gz WKQPYBGSLTZMDX-SECBINFHSA-N 1 1 256.331 -0.227 10 0 CBAEMO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000088358488 533269377 /nfs/dbraw/zinc/26/93/77/533269377.db2.gz FJHFILDAWCGJAB-NXEZZACHSA-N 1 1 275.312 -0.105 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000105834473 286090046 /nfs/dbraw/zinc/09/00/46/286090046.db2.gz RWSWZGVMDADYRW-QWRGUYRKSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000105834473 286090048 /nfs/dbraw/zinc/09/00/48/286090048.db2.gz RWSWZGVMDADYRW-QWRGUYRKSA-N 1 1 286.376 -0.388 10 0 CBAEMO C[C@@H](NC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)C(N)=O ZINC000063885155 287040352 /nfs/dbraw/zinc/04/03/52/287040352.db2.gz MTMWMYJAQHOLGX-NQBHXWOUSA-N 1 1 255.362 -0.171 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@@H]1C ZINC000121298524 287089824 /nfs/dbraw/zinc/08/98/24/287089824.db2.gz JPNYNXIBGRJGDI-WDEREUQCSA-N 1 1 286.376 -0.829 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CCN2CCCC2=O)C[C@@H]1C ZINC000105823932 287095211 /nfs/dbraw/zinc/09/52/11/287095211.db2.gz VFTVCTQNLJEOPK-QWHCGFSZSA-N 1 1 269.389 -0.004 10 0 CBAEMO CS(=O)(=O)NCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000020203443 171068344 /nfs/dbraw/zinc/06/83/44/171068344.db2.gz UEEIPHUJUUYPFG-SNVBAGLBSA-N 1 1 272.326 -0.036 10 0 CBAEMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC000020303279 171140561 /nfs/dbraw/zinc/14/05/61/171140561.db2.gz BCWZDXWEPJFAJR-VHSXEESVSA-N 1 1 256.350 -0.096 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC000020303279 171140563 /nfs/dbraw/zinc/14/05/63/171140563.db2.gz BCWZDXWEPJFAJR-VHSXEESVSA-N 1 1 256.350 -0.096 10 0 CBAEMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000284619196 196098686 /nfs/dbraw/zinc/09/86/86/196098686.db2.gz ROZPPLUXJGWGRM-RYUDHWBXSA-N 1 1 297.355 -0.680 10 0 CBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1 ZINC000020950911 171282285 /nfs/dbraw/zinc/28/22/85/171282285.db2.gz ILEZPQHXLVJTNZ-SNVBAGLBSA-N 1 1 269.345 -0.833 10 0 CBAEMO C[C@H](NCCNS(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000037221749 173041482 /nfs/dbraw/zinc/04/14/82/173041482.db2.gz SOOJCEOBKBTHEP-QWRGUYRKSA-N 1 1 263.407 -0.145 10 0 CBAEMO C[C@H](NCCNS(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000037221749 173041485 /nfs/dbraw/zinc/04/14/85/173041485.db2.gz SOOJCEOBKBTHEP-QWRGUYRKSA-N 1 1 263.407 -0.145 10 0 CBAEMO COc1ncnc(OC)c1C[NH2+]C[C@H]1COCCO1 ZINC000038060825 174071814 /nfs/dbraw/zinc/07/18/14/174071814.db2.gz CZNZGUMCXRVQDJ-VIFPVBQESA-N 1 1 269.301 -0.001 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171769065 335078394 /nfs/dbraw/zinc/07/83/94/335078394.db2.gz REQROGSXUYNZEA-AWEZNQCLSA-N 1 1 299.415 -0.064 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1COCCN1 ZINC000088358634 544433925 /nfs/dbraw/zinc/43/39/25/544433925.db2.gz DLSFCKFVRYKQDW-WOPDTQHZSA-N 1 1 253.346 -0.282 10 0 CBAEMO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000094441387 544444534 /nfs/dbraw/zinc/44/45/34/544444534.db2.gz YYRQCWUMOAXGCK-UONOGXRCSA-N 1 1 280.416 -0.023 10 0 CBAEMO O=C1C[C@@H]([NH2+][C@H]2CCCNC2=O)C(=O)N1C1CC1 ZINC000106532337 544448155 /nfs/dbraw/zinc/44/81/55/544448155.db2.gz GPZKIQTZFHFIOA-DTWKUNHWSA-N 1 1 251.286 -0.856 10 0 CBAEMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132593091 544461026 /nfs/dbraw/zinc/46/10/26/544461026.db2.gz KRQBWCKROQNMFQ-UONOGXRCSA-N 1 1 299.415 -0.330 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159324358 544473945 /nfs/dbraw/zinc/47/39/45/544473945.db2.gz PXSXUDJVIDDVSQ-GHMZBOCLSA-N 1 1 257.334 -0.205 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159324358 544473947 /nfs/dbraw/zinc/47/39/47/544473947.db2.gz PXSXUDJVIDDVSQ-GHMZBOCLSA-N 1 1 257.334 -0.205 10 0 CBAEMO O=C(CCNC(=O)[C@@H]1COCC[NH2+]1)NCc1ccccc1 ZINC000238031887 544509394 /nfs/dbraw/zinc/50/93/94/544509394.db2.gz YLTXEVYPICODAA-ZDUSSCGKSA-N 1 1 291.351 -0.203 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC000245421993 544510432 /nfs/dbraw/zinc/51/04/32/544510432.db2.gz IHPUBDCTKRZDEP-QWRGUYRKSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC000245421993 544510438 /nfs/dbraw/zinc/51/04/38/544510438.db2.gz IHPUBDCTKRZDEP-QWRGUYRKSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC000245421993 544510443 /nfs/dbraw/zinc/51/04/43/544510443.db2.gz IHPUBDCTKRZDEP-QWRGUYRKSA-N 1 1 266.345 -0.134 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250361954 544513446 /nfs/dbraw/zinc/51/34/46/544513446.db2.gz CYRGMYFGQWIAQN-XQQFMLRXSA-N 1 1 268.405 -0.277 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1COCCN1 ZINC000250812088 544513479 /nfs/dbraw/zinc/51/34/79/544513479.db2.gz DLSFCKFVRYKQDW-GRYCIOLGSA-N 1 1 253.346 -0.282 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048732530 419449888 /nfs/dbraw/zinc/44/98/88/419449888.db2.gz JOKBOVDJVFAKSQ-GHMZBOCLSA-N 1 1 289.401 -0.043 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048732530 419449898 /nfs/dbraw/zinc/44/98/98/419449898.db2.gz JOKBOVDJVFAKSQ-GHMZBOCLSA-N 1 1 289.401 -0.043 10 0 CBAEMO O=C(NC[C@H]1CN2CCN1CCC2)[C@@H]1CC[NH2+]C1 ZINC000394379563 544578616 /nfs/dbraw/zinc/57/86/16/544578616.db2.gz DEWPZSIHQIXLQH-NEPJUHHUSA-N 1 1 252.362 -0.898 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)NCC(=O)N(C)C)C1 ZINC000194133104 419549130 /nfs/dbraw/zinc/54/91/30/419549130.db2.gz YQBMRZGIWCEYHQ-JTQLQIEISA-N 1 1 256.350 -0.142 10 0 CBAEMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CNC(=O)C1 ZINC000194869674 419557577 /nfs/dbraw/zinc/55/75/77/419557577.db2.gz DRVLUMXBMCJEIB-JTQLQIEISA-N 1 1 257.334 -0.793 10 0 CBAEMO CS(=O)(=O)NCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195041841 419560592 /nfs/dbraw/zinc/56/05/92/419560592.db2.gz VHPXEPRRVWHCON-LLVKDONJSA-N 1 1 289.401 -0.378 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000132870320 419500215 /nfs/dbraw/zinc/50/02/15/419500215.db2.gz UGCLLHILYUHOQK-UTUOFQBUSA-N 1 1 253.346 -0.282 10 0 CBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H](C)C1 ZINC000176238919 419506537 /nfs/dbraw/zinc/50/65/37/419506537.db2.gz SISXZTWNONZKJE-UWVGGRQHSA-N 1 1 292.405 -0.697 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000174954711 419507064 /nfs/dbraw/zinc/50/70/64/419507064.db2.gz JLLNYJMAUOYDBD-STQMWFEESA-N 1 1 285.388 -0.504 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000174954711 419507076 /nfs/dbraw/zinc/50/70/76/419507076.db2.gz JLLNYJMAUOYDBD-STQMWFEESA-N 1 1 285.388 -0.504 10 0 CBAEMO O=C(NC[C@@H]1CN2CCN1CCC2)[C@H]1CCC[NH2+]C1 ZINC000394382005 544581199 /nfs/dbraw/zinc/58/11/99/544581199.db2.gz OQUKDJVOLLUCDW-QWHCGFSZSA-N 1 1 266.389 -0.508 10 0 CBAEMO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000394380942 544582190 /nfs/dbraw/zinc/58/21/90/544582190.db2.gz JUKBRULEBQEIFR-XQQFMLRXSA-N 1 1 266.389 -0.380 10 0 CBAEMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1N1CCOCC1 ZINC000246299677 419592569 /nfs/dbraw/zinc/59/25/69/419592569.db2.gz BSLAFUWNXBVPRA-FRRDWIJNSA-N 1 1 267.373 -0.130 10 0 CBAEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1NCCO[C@@H]1C ZINC000262060673 419598501 /nfs/dbraw/zinc/59/85/01/419598501.db2.gz AUSMSEKTQPFIQD-AAXDQBDMSA-N 1 1 267.373 -0.038 10 0 CBAEMO COc1cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)sn1 ZINC000401105147 544584951 /nfs/dbraw/zinc/58/49/51/544584951.db2.gz IAZXNBFLUKKPIJ-LLVKDONJSA-N 1 1 271.342 -0.036 10 0 CBAEMO COc1cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)sn1 ZINC000401105147 544584954 /nfs/dbraw/zinc/58/49/54/544584954.db2.gz IAZXNBFLUKKPIJ-LLVKDONJSA-N 1 1 271.342 -0.036 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000311050147 419618074 /nfs/dbraw/zinc/61/80/74/419618074.db2.gz WYBVIEQCRQDNJP-MDZLAQPJSA-N 1 1 256.346 -0.150 10 0 CBAEMO O=C(NC[C@@H]1CN2CCN1CCC2)[C@H]1CC[NH2+]C1 ZINC000394379565 544579372 /nfs/dbraw/zinc/57/93/72/544579372.db2.gz DEWPZSIHQIXLQH-NWDGAFQWSA-N 1 1 252.362 -0.898 10 0 CBAEMO CO[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000662921475 419775174 /nfs/dbraw/zinc/77/51/74/419775174.db2.gz NZNKARSTGOHVNH-NXEZZACHSA-N 1 1 257.334 -0.490 10 0 CBAEMO CO[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000662928646 419778176 /nfs/dbraw/zinc/77/81/76/419778176.db2.gz RRRNIMOJOICELF-QWRGUYRKSA-N 1 1 271.361 -0.099 10 0 CBAEMO O=C([C@H]1C[NH2+]CCOC1)N1CCN2CCCC[C@@H]2C1 ZINC000649311538 419873987 /nfs/dbraw/zinc/87/39/87/419873987.db2.gz YHEHVYOSCYSNKW-QWHCGFSZSA-N 1 1 267.373 -0.081 10 0 CBAEMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000366947877 420097663 /nfs/dbraw/zinc/09/76/63/420097663.db2.gz VHCSPQBUVAOSLY-GWCFXTLKSA-N 1 1 271.361 -0.446 10 0 CBAEMO CC(C)N1CC[C@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000367003117 420098398 /nfs/dbraw/zinc/09/83/98/420098398.db2.gz MEHQYINEBVIOKB-GWCFXTLKSA-N 1 1 269.345 -0.692 10 0 CBAEMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367490605 420107064 /nfs/dbraw/zinc/10/70/64/420107064.db2.gz VONVLYNHUBSMLT-WFASDCNBSA-N 1 1 297.399 -0.054 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399096043 420217242 /nfs/dbraw/zinc/21/72/42/420217242.db2.gz SPKWSLUQDXUAEO-UKKRHICBSA-N 1 1 269.345 -0.077 10 0 CBAEMO CC(C)n1nnnc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653826137 420164803 /nfs/dbraw/zinc/16/48/03/420164803.db2.gz SRYLQJZVYRWDFD-WDEREUQCSA-N 1 1 266.349 -0.495 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495232 420257072 /nfs/dbraw/zinc/25/70/72/420257072.db2.gz LTXXSKRPZHRGOX-QWRGUYRKSA-N 1 1 269.345 -0.251 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399096042 420217455 /nfs/dbraw/zinc/21/74/55/420217455.db2.gz SPKWSLUQDXUAEO-NAKRPEOUSA-N 1 1 269.345 -0.077 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398746238 420217838 /nfs/dbraw/zinc/21/78/38/420217838.db2.gz SJLJZOOSEZYPHL-SDDRHHMPSA-N 1 1 276.402 -0.029 10 0 CBAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000399150936 420219478 /nfs/dbraw/zinc/21/94/78/420219478.db2.gz GAXXUTFUFQLVFB-NEPJUHHUSA-N 1 1 255.362 -0.394 10 0 CBAEMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC2(O)CCC2)C1 ZINC000675123096 544926782 /nfs/dbraw/zinc/92/67/82/544926782.db2.gz JPLDFDGMTOSTEK-JTQLQIEISA-N 1 1 262.375 -0.085 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1nnnn1C ZINC000678564983 545019605 /nfs/dbraw/zinc/01/96/05/545019605.db2.gz VLCVFNGZHSDZDE-GHMZBOCLSA-N 1 1 293.375 -0.369 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1nnnn1C ZINC000678564985 545019741 /nfs/dbraw/zinc/01/97/41/545019741.db2.gz VLCVFNGZHSDZDE-QWRGUYRKSA-N 1 1 293.375 -0.369 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCNC1=O ZINC000105898234 261319803 /nfs/dbraw/zinc/31/98/03/261319803.db2.gz UOGWYJNPESWWPL-JTQLQIEISA-N 1 1 278.316 -0.533 10 0 CBAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)N1CCNC1=O ZINC000105898234 261319805 /nfs/dbraw/zinc/31/98/05/261319805.db2.gz UOGWYJNPESWWPL-JTQLQIEISA-N 1 1 278.316 -0.533 10 0 CBAEMO CO[C@H](C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259878 545083412 /nfs/dbraw/zinc/08/34/12/545083412.db2.gz KJLXOLQZGFBRHY-XCBNKYQSSA-N 1 1 253.306 -0.672 10 0 CBAEMO O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CSCCN1 ZINC000725257959 545083592 /nfs/dbraw/zinc/08/35/92/545083592.db2.gz AXIDADHBVDIHBE-VIFPVBQESA-N 1 1 267.358 -0.329 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248583015 277033263 /nfs/dbraw/zinc/03/32/63/277033263.db2.gz FQSKXJKPPXZTRL-MNOVXSKESA-N 1 1 286.376 -0.781 10 0 CBAEMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173946418 277208809 /nfs/dbraw/zinc/20/88/09/277208809.db2.gz OUAXACCZOAJUFE-KBPBESRZSA-N 1 1 299.415 -0.066 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000262235275 278517624 /nfs/dbraw/zinc/51/76/24/278517624.db2.gz KMGQALJIVRDMRX-UPJWGTAASA-N 1 1 283.372 -0.704 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCNC(=O)C1 ZINC000175332887 279301416 /nfs/dbraw/zinc/30/14/16/279301416.db2.gz HUATUIORSSSIQI-GFCCVEGCSA-N 1 1 282.388 -0.639 10 0 CBAEMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1NCCO[C@@H]1C ZINC000262060676 288131361 /nfs/dbraw/zinc/13/13/61/288131361.db2.gz AUSMSEKTQPFIQD-WFFHOREQSA-N 1 1 267.373 -0.038 10 0 CBAEMO O=C1C[C@]2(CC[N@H+]([C@H]3CCN(C4CC4)C3=O)C2)CN1 ZINC000333053341 280274877 /nfs/dbraw/zinc/27/48/77/280274877.db2.gz QVAYCTCVFQXZQF-SMDDNHRTSA-N 1 1 263.341 -0.038 10 0 CBAEMO CC[C@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CCN1CCOC ZINC000262745809 288258861 /nfs/dbraw/zinc/25/88/61/288258861.db2.gz AFXIMPUIUPZUOR-STQMWFEESA-N 1 1 287.404 -0.081 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NC(N)=O ZINC000245424041 281199188 /nfs/dbraw/zinc/19/91/88/281199188.db2.gz JVEICCYFRHMDSK-UWVGGRQHSA-N 1 1 254.334 -0.260 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnnn1 ZINC000175009795 288308887 /nfs/dbraw/zinc/30/88/87/288308887.db2.gz ZDBBIGKQYBQFKM-WDEREUQCSA-N 1 1 264.333 -0.242 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000246819527 288313852 /nfs/dbraw/zinc/31/38/52/288313852.db2.gz CLBALCSSKMRASY-NEPJUHHUSA-N 1 1 292.383 -0.248 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@H]1CO ZINC000394061424 329100869 /nfs/dbraw/zinc/10/08/69/329100869.db2.gz YSCJJTHSZNBTSF-AVGNSLFASA-N 1 1 276.377 -0.993 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000394061424 329100866 /nfs/dbraw/zinc/10/08/66/329100866.db2.gz YSCJJTHSZNBTSF-AVGNSLFASA-N 1 1 276.377 -0.993 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1C[C@@H](OC)C[C@H]1CO ZINC000394061424 329100868 /nfs/dbraw/zinc/10/08/68/329100868.db2.gz YSCJJTHSZNBTSF-AVGNSLFASA-N 1 1 276.377 -0.993 10 0 CBAEMO CCOCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404204303 334573896 /nfs/dbraw/zinc/57/38/96/334573896.db2.gz ROIDTZOFVWAYOF-GHMZBOCLSA-N 1 1 278.374 -0.585 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000183433084 335893293 /nfs/dbraw/zinc/89/32/93/335893293.db2.gz ODDHLCXFJPFZNC-CYBMUJFWSA-N 1 1 280.372 -0.122 10 0 CBAEMO CCC(=O)N1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000380894400 336038652 /nfs/dbraw/zinc/03/86/52/336038652.db2.gz GACVZGDQBLQERC-YPMHNXCESA-N 1 1 283.372 -0.166 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384986568 336135673 /nfs/dbraw/zinc/13/56/73/336135673.db2.gz ZUTXIFRPIPZKJH-NWDGAFQWSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384986568 336135674 /nfs/dbraw/zinc/13/56/74/336135674.db2.gz ZUTXIFRPIPZKJH-NWDGAFQWSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(CC)C1=O ZINC000049200180 519893205 /nfs/dbraw/zinc/89/32/05/519893205.db2.gz FOABBZIXIXAZGX-IUCAKERBSA-N 1 1 255.318 -0.362 10 0 CBAEMO COC(=O)N1CC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000178750480 533908761 /nfs/dbraw/zinc/90/87/61/533908761.db2.gz IMVOPAVKOUDPOJ-LLVKDONJSA-N 1 1 282.344 -0.073 10 0 CBAEMO CC(C)[C@@H](CN(C)C)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049204886 519793672 /nfs/dbraw/zinc/79/36/72/519793672.db2.gz IPMVFJBZQWALSW-LLVKDONJSA-N 1 1 280.438 -0.312 10 0 CBAEMO CCN1CCC[C@H](NS(=O)(=O)N(C)CCC[NH3+])C1 ZINC000049204316 521649470 /nfs/dbraw/zinc/64/94/70/521649470.db2.gz ORSXETNQYHWWFQ-NSHDSACASA-N 1 1 278.422 -0.414 10 0 CBAEMO C[NH+](C)C[C@@H]1CCCN1CC(=O)N1CCNCC1 ZINC000061644380 521834263 /nfs/dbraw/zinc/83/42/63/521834263.db2.gz OPLFRVFCOSQVAS-LBPRGKRZSA-N 1 1 254.378 -0.556 10 0 CBAEMO CNCc1cn(CCN2CCC[N@H+](C)CC2)nn1 ZINC000052424252 522144493 /nfs/dbraw/zinc/14/44/93/522144493.db2.gz DMGVXHILSFIIGN-UHFFFAOYSA-N 1 1 252.366 -0.365 10 0 CBAEMO CNCc1cn(CCN2CCC[N@@H+](C)CC2)nn1 ZINC000052424252 522144499 /nfs/dbraw/zinc/14/44/99/522144499.db2.gz DMGVXHILSFIIGN-UHFFFAOYSA-N 1 1 252.366 -0.365 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)c1[nH]nc(C)c1N ZINC000061374620 523602014 /nfs/dbraw/zinc/60/20/14/523602014.db2.gz GJIKDPRAUCLFQA-UHFFFAOYSA-N 1 1 255.322 -0.392 10 0 CBAEMO C[C@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000049547282 525859867 /nfs/dbraw/zinc/85/98/67/525859867.db2.gz VYCIFZUSIXKGIC-CBAPKCEASA-N 1 1 251.286 -0.119 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)NC1CCOCC1 ZINC000062769373 526750828 /nfs/dbraw/zinc/75/08/28/526750828.db2.gz FDZICVNCDDHSDA-LLVKDONJSA-N 1 1 256.346 -0.014 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000049578141 526902148 /nfs/dbraw/zinc/90/21/48/526902148.db2.gz YOSMRVBUCLNFFR-SECBINFHSA-N 1 1 257.240 -0.216 10 0 CBAEMO O=C([O-])C[N@H+]1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000061145146 527608160 /nfs/dbraw/zinc/60/81/60/527608160.db2.gz YZJQYGGWXILBEY-UHFFFAOYSA-N 1 1 269.345 -0.395 10 0 CBAEMO O=C(CN1CC(=O)NC1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000111563157 582115269 /nfs/dbraw/zinc/11/52/69/582115269.db2.gz NJPASKGFHAVONV-JTQLQIEISA-N 1 1 280.328 -0.765 10 0 CBAEMO COC(=O)C1CCN(c2noc([C@@H]([NH3+])CCO)n2)CC1 ZINC000757125672 582305042 /nfs/dbraw/zinc/30/50/42/582305042.db2.gz SNZUJHBYSZOIRK-VIFPVBQESA-N 1 1 284.316 -0.159 10 0 CBAEMO C[N@H+]1CCC[C@@]2(CC1)NC[C@@]1(COCCN1)CO2 ZINC000757145378 582305197 /nfs/dbraw/zinc/30/51/97/582305197.db2.gz OTMQEELRQIOLIY-CHWSQXEVSA-N 1 1 255.362 -0.223 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]1C(N)=O ZINC000757156520 582305240 /nfs/dbraw/zinc/30/52/40/582305240.db2.gz KYLURGHCLHOOJM-OLZOCXBDSA-N 1 1 290.367 -0.468 10 0 CBAEMO O[C@@]1(c2cn[nH]n2)CCC[N@@H+](CCn2cccn2)C1 ZINC000794042354 582400564 /nfs/dbraw/zinc/40/05/64/582400564.db2.gz OLULHBSBPDKIMO-LBPRGKRZSA-N 1 1 262.317 -0.015 10 0 CBAEMO O[C@@]1(c2c[nH]nn2)CCC[N@H+](CCn2cccn2)C1 ZINC000794042354 582400565 /nfs/dbraw/zinc/40/05/65/582400565.db2.gz OLULHBSBPDKIMO-LBPRGKRZSA-N 1 1 262.317 -0.015 10 0 CBAEMO O[C@@]1(c2c[nH]nn2)CCC[N@@H+](CCn2cccn2)C1 ZINC000794042354 582400566 /nfs/dbraw/zinc/40/05/66/582400566.db2.gz OLULHBSBPDKIMO-LBPRGKRZSA-N 1 1 262.317 -0.015 10 0 CBAEMO CN(C)[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC000859754973 583729226 /nfs/dbraw/zinc/72/92/26/583729226.db2.gz VMOCSRSDKOZJRH-NEPJUHHUSA-N 1 1 276.348 -0.643 10 0 CBAEMO CN(C)[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC000859754973 583729229 /nfs/dbraw/zinc/72/92/29/583729229.db2.gz VMOCSRSDKOZJRH-NEPJUHHUSA-N 1 1 276.348 -0.643 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000896993016 584707297 /nfs/dbraw/zinc/70/72/97/584707297.db2.gz MQFJTWVWAFBOIM-BDAKNGLRSA-N 1 1 251.290 -0.961 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000896993016 584707298 /nfs/dbraw/zinc/70/72/98/584707298.db2.gz MQFJTWVWAFBOIM-BDAKNGLRSA-N 1 1 251.290 -0.961 10 0 CBAEMO CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000900442394 584804190 /nfs/dbraw/zinc/80/41/90/584804190.db2.gz VMOOYBNBLARFRJ-CYBMUJFWSA-N 1 1 296.415 -0.203 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](O)C(C)(C)C ZINC000901071939 584845155 /nfs/dbraw/zinc/84/51/55/584845155.db2.gz KVZGXVZSZWREQP-GBIKHYSHSA-N 1 1 258.362 -0.035 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000037623352 656002655 /nfs/dbraw/zinc/00/26/55/656002655.db2.gz VNQWCSYFQUIHDM-SSDOTTSWSA-N 1 1 251.242 -0.444 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCO2 ZINC000040854087 656006324 /nfs/dbraw/zinc/00/63/24/656006324.db2.gz OYFXFPBHIPMAMA-QMMMGPOBSA-N 1 1 265.269 -0.766 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996387 656061823 /nfs/dbraw/zinc/06/18/23/656061823.db2.gz ASAMNCVLXGVETG-VGMNWLOBSA-N 1 1 271.317 -0.429 10 0 CBAEMO Cc1ccncc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000162759129 656078753 /nfs/dbraw/zinc/07/87/53/656078753.db2.gz TXEXTPBKCKZUJS-GHMZBOCLSA-N 1 1 256.327 -0.362 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000173954526 656085482 /nfs/dbraw/zinc/08/54/82/656085482.db2.gz FCTKRSLQKDEMJB-KGLIPLIRSA-N 1 1 297.399 -0.360 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000173954526 656085484 /nfs/dbraw/zinc/08/54/84/656085484.db2.gz FCTKRSLQKDEMJB-KGLIPLIRSA-N 1 1 297.399 -0.360 10 0 CBAEMO Cc1nc([C@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)n[nH]1 ZINC000178847390 656089172 /nfs/dbraw/zinc/08/91/72/656089172.db2.gz LBZMCZBKVVNIOE-SKDRFNHKSA-N 1 1 283.307 -0.285 10 0 CBAEMO CC(C)[C@H](NC(=O)c1csc(C[NH3+])n1)C(N)=O ZINC000226337469 656106936 /nfs/dbraw/zinc/10/69/36/656106936.db2.gz YFXGPMKFGWMNGF-QMMMGPOBSA-N 1 1 256.331 -0.159 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@@H]1C ZINC000247057715 656119325 /nfs/dbraw/zinc/11/93/25/656119325.db2.gz FQTXSNOXYNFAFN-MELADBBJSA-N 1 1 299.415 -0.379 10 0 CBAEMO CCCN1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000247156082 656119591 /nfs/dbraw/zinc/11/95/91/656119591.db2.gz SHFMDPQWOXFZTD-NSHDSACASA-N 1 1 294.355 -0.075 10 0 CBAEMO CO[C@@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249267588 656120610 /nfs/dbraw/zinc/12/06/10/656120610.db2.gz ISKYEEVGVPLJQU-NWDGAFQWSA-N 1 1 253.346 -0.029 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000251539864 656122671 /nfs/dbraw/zinc/12/26/71/656122671.db2.gz ASAMNCVLXGVETG-XHNCKOQMSA-N 1 1 271.317 -0.429 10 0 CBAEMO Cc1cc(NC(=O)CN(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)no1 ZINC000261875753 656127139 /nfs/dbraw/zinc/12/71/39/656127139.db2.gz DQDUPNJNBCAABS-SKDRFNHKSA-N 1 1 296.327 -0.243 10 0 CBAEMO CC(C)[C@@H]1C(=O)NCCN1Cc1noc(C[NH3+])n1 ZINC000261870090 656127303 /nfs/dbraw/zinc/12/73/03/656127303.db2.gz XIXDVQQXHRMHDH-SNVBAGLBSA-N 1 1 253.306 -0.515 10 0 CBAEMO COC[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262357693 656131689 /nfs/dbraw/zinc/13/16/89/656131689.db2.gz JVPCARYABDKWJJ-ZDUSSCGKSA-N 1 1 265.357 -0.010 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000310657907 656143850 /nfs/dbraw/zinc/14/38/50/656143850.db2.gz FCPULWYHIJYTGD-VHSXEESVSA-N 1 1 278.374 -0.381 10 0 CBAEMO COC(=O)/C(C)=C/C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310938002 656144951 /nfs/dbraw/zinc/14/49/51/656144951.db2.gz VJCVQSHSGHXGHJ-OXFRDRNISA-N 1 1 256.302 -0.582 10 0 CBAEMO CCOC(=O)/C=C\C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310946667 656145231 /nfs/dbraw/zinc/14/52/31/656145231.db2.gz XUHICDKSRBKEPL-KTLBGCOUSA-N 1 1 256.302 -0.582 10 0 CBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000710783637 656202117 /nfs/dbraw/zinc/20/21/17/656202117.db2.gz NJXFEWMROVUDIW-TZMCWYRMSA-N 1 1 285.388 -0.408 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000710783637 656202121 /nfs/dbraw/zinc/20/21/21/656202121.db2.gz NJXFEWMROVUDIW-TZMCWYRMSA-N 1 1 285.388 -0.408 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900709575 656310252 /nfs/dbraw/zinc/31/02/52/656310252.db2.gz NBYULSXUESTFQK-UTUOFQBUSA-N 1 1 281.356 -0.461 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)O1 ZINC000909189398 656795641 /nfs/dbraw/zinc/79/56/41/656795641.db2.gz JENZFCZHMMISBH-UJPOAAIJSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)O1 ZINC000909189398 656795650 /nfs/dbraw/zinc/79/56/50/656795650.db2.gz JENZFCZHMMISBH-UJPOAAIJSA-N 1 1 294.355 -0.607 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)Nc2ccn(C)c(=O)n2)[N@H+](C)C1 ZINC000911663729 657098110 /nfs/dbraw/zinc/09/81/10/657098110.db2.gz HBYJGRJDTOVMNM-IUCAKERBSA-N 1 1 266.301 -0.728 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)Nc2ccn(C)c(=O)n2)[N@@H+](C)C1 ZINC000911663729 657098116 /nfs/dbraw/zinc/09/81/16/657098116.db2.gz HBYJGRJDTOVMNM-IUCAKERBSA-N 1 1 266.301 -0.728 10 0 CBAEMO C[C@@H](C(=O)N1CCOC[C@@H]1CO)[NH+]1CCSCC1 ZINC000912419090 657256957 /nfs/dbraw/zinc/25/69/57/657256957.db2.gz ROVUUSZEDDFPGO-QWRGUYRKSA-N 1 1 274.386 -0.357 10 0 CBAEMO CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nn[nH]n1 ZINC000912616915 657300293 /nfs/dbraw/zinc/30/02/93/657300293.db2.gz PLVUBAFIKKNMNK-SFYZADRCSA-N 1 1 252.278 -0.974 10 0 CBAEMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1nn[nH]n1 ZINC000912616915 657300300 /nfs/dbraw/zinc/30/03/00/657300300.db2.gz PLVUBAFIKKNMNK-SFYZADRCSA-N 1 1 252.278 -0.974 10 0 CBAEMO CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1nn[nH]n1 ZINC000912616916 657300531 /nfs/dbraw/zinc/30/05/31/657300531.db2.gz PLVUBAFIKKNMNK-YUMQZZPRSA-N 1 1 252.278 -0.974 10 0 CBAEMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1nn[nH]n1 ZINC000912616916 657300534 /nfs/dbraw/zinc/30/05/34/657300534.db2.gz PLVUBAFIKKNMNK-YUMQZZPRSA-N 1 1 252.278 -0.974 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028466 657368648 /nfs/dbraw/zinc/36/86/48/657368648.db2.gz YEHNBXXMOADPAJ-SKDRFNHKSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028466 657368655 /nfs/dbraw/zinc/36/86/55/657368655.db2.gz YEHNBXXMOADPAJ-SKDRFNHKSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@H]1CC[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)[N@H+]1C ZINC000935732744 659840638 /nfs/dbraw/zinc/84/06/38/659840638.db2.gz WLSCRNUVTDJLDH-AEJSXWLSSA-N 1 1 267.329 -0.362 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085365393 179036637 /nfs/dbraw/zinc/03/66/37/179036637.db2.gz NPYWGCMVYCHUSA-NWDGAFQWSA-N 1 1 254.378 -0.523 10 0 CBAEMO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC)C1=O ZINC000103325636 185830431 /nfs/dbraw/zinc/83/04/31/185830431.db2.gz FOABBZIXIXAZGX-DTWKUNHWSA-N 1 1 255.318 -0.362 10 0 CBAEMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000352066719 219308288 /nfs/dbraw/zinc/30/82/88/219308288.db2.gz CISNNDWPIWXLAC-VXGBXAGGSA-N 1 1 291.417 -0.717 10 0 CBAEMO CC[NH+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000105282878 186049896 /nfs/dbraw/zinc/04/98/96/186049896.db2.gz DHNTZIREADVISZ-LBPRGKRZSA-N 1 1 270.377 -0.336 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798173 186071160 /nfs/dbraw/zinc/07/11/60/186071160.db2.gz BYAHRINFLXMLSN-UHFFFAOYSA-N 1 1 292.343 -0.556 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798173 186071162 /nfs/dbraw/zinc/07/11/62/186071162.db2.gz BYAHRINFLXMLSN-UHFFFAOYSA-N 1 1 292.343 -0.556 10 0 CBAEMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804495 186073019 /nfs/dbraw/zinc/07/30/19/186073019.db2.gz MEVJTEKUZBGQOR-VIFPVBQESA-N 1 1 292.343 -0.064 10 0 CBAEMO C[C@@H](C(N)=O)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868969 186080831 /nfs/dbraw/zinc/08/08/31/186080831.db2.gz JGVUWPAANHKQGI-NSHDSACASA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@@H](C(N)=O)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868969 186080832 /nfs/dbraw/zinc/08/08/32/186080832.db2.gz JGVUWPAANHKQGI-NSHDSACASA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@@H](C(N)=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105868969 186080834 /nfs/dbraw/zinc/08/08/34/186080834.db2.gz JGVUWPAANHKQGI-NSHDSACASA-N 1 1 265.361 -0.198 10 0 CBAEMO C[C@@H](C(N)=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105868969 186080835 /nfs/dbraw/zinc/08/08/35/186080835.db2.gz JGVUWPAANHKQGI-NSHDSACASA-N 1 1 265.361 -0.198 10 0 CBAEMO CCOCC[N@H+]1CCN(CCNS(C)(=O)=O)C[C@@H]1C ZINC000107304028 186169129 /nfs/dbraw/zinc/16/91/29/186169129.db2.gz HKOVRNWPXJBNTR-LBPRGKRZSA-N 1 1 293.433 -0.422 10 0 CBAEMO C[C@@H]1CN(C[C@@H](O)CN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000108342368 186212754 /nfs/dbraw/zinc/21/27/54/186212754.db2.gz LJXXNDVKVYIXCQ-UPJWGTAASA-N 1 1 257.378 -0.638 10 0 CBAEMO COc1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c(OC)c1 ZINC000109554880 186263313 /nfs/dbraw/zinc/26/33/13/186263313.db2.gz BYRFYOXIVSIEBD-JTQLQIEISA-N 1 1 281.312 -0.477 10 0 CBAEMO CCS(=O)(=O)NCCN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000109328863 186248029 /nfs/dbraw/zinc/24/80/29/186248029.db2.gz NFDXGXAVOINOFF-GFCCVEGCSA-N 1 1 293.433 -0.422 10 0 CBAEMO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034937541 351385769 /nfs/dbraw/zinc/38/57/69/351385769.db2.gz DHQBGEWLGYLHOQ-ZJUUUORDSA-N 1 1 262.375 -0.076 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@H]2CCCO)CC1 ZINC000052761791 351521579 /nfs/dbraw/zinc/52/15/79/351521579.db2.gz WVSMWNDPQNKOQP-ZDUSSCGKSA-N 1 1 269.389 -0.003 10 0 CBAEMO C[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000054076099 351532580 /nfs/dbraw/zinc/53/25/80/351532580.db2.gz XWJLMWCVAGBLKT-CHWSQXEVSA-N 1 1 270.421 -0.018 10 0 CBAEMO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000065353570 351589031 /nfs/dbraw/zinc/58/90/31/351589031.db2.gz CWFOJKMURJGWGT-KGLIPLIRSA-N 1 1 294.351 -0.250 10 0 CBAEMO NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000065353570 351589035 /nfs/dbraw/zinc/58/90/35/351589035.db2.gz CWFOJKMURJGWGT-KGLIPLIRSA-N 1 1 294.351 -0.250 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnc(N)n1 ZINC000071187679 351643289 /nfs/dbraw/zinc/64/32/89/351643289.db2.gz UHISHZKDIZZAOU-SECBINFHSA-N 1 1 252.322 -0.730 10 0 CBAEMO CC(C)N1CCO[C@@H](CN2CCN(CC[NH3+])CC2)C1 ZINC000080749522 351699993 /nfs/dbraw/zinc/69/99/93/351699993.db2.gz KIHCBLYJHSDSCX-AWEZNQCLSA-N 1 1 270.421 -0.328 10 0 CBAEMO CC(C)N1CCO[C@H](CN2CCN(CC[NH3+])CC2)C1 ZINC000080749519 351700067 /nfs/dbraw/zinc/70/00/67/351700067.db2.gz KIHCBLYJHSDSCX-CQSZACIVSA-N 1 1 270.421 -0.328 10 0 CBAEMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000111689008 351804788 /nfs/dbraw/zinc/80/47/88/351804788.db2.gz RUORNGGDTZTBRS-OLZOCXBDSA-N 1 1 297.399 -0.053 10 0 CBAEMO CN1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000108575151 351796886 /nfs/dbraw/zinc/79/68/86/351796886.db2.gz OBEZPLNINKSOTM-CHWSQXEVSA-N 1 1 284.404 -0.042 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(C)c(=O)n(C)c1=O ZINC000093437619 351760808 /nfs/dbraw/zinc/76/08/08/351760808.db2.gz MTMMOPRTYRCARN-DGCLKSJQSA-N 1 1 292.383 -0.248 10 0 CBAEMO Cc1ccnc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)n1 ZINC000095069549 351767361 /nfs/dbraw/zinc/76/73/61/351767361.db2.gz BUWINPKYZSNFHA-SECBINFHSA-N 1 1 256.331 -0.233 10 0 CBAEMO C[NH+](C)C[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCO1 ZINC000116789060 351822456 /nfs/dbraw/zinc/82/24/56/351822456.db2.gz LUHFYNHTLUKSEI-NSHDSACASA-N 1 1 292.401 -0.400 10 0 CBAEMO CCOCC[N@@H+]1CCN(S(N)(=O)=O)C[C@@H]1CC ZINC000116899163 351824779 /nfs/dbraw/zinc/82/47/79/351824779.db2.gz TURCSIMVXKHEOX-JTQLQIEISA-N 1 1 265.379 -0.377 10 0 CBAEMO CCOCC[N@H+]1CCN(S(N)(=O)=O)C[C@@H]1CC ZINC000116899163 351824782 /nfs/dbraw/zinc/82/47/82/351824782.db2.gz TURCSIMVXKHEOX-JTQLQIEISA-N 1 1 265.379 -0.377 10 0 CBAEMO COC(=O)CCNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113271618 351812717 /nfs/dbraw/zinc/81/27/17/351812717.db2.gz CDLJXGCRRZUORA-NWDGAFQWSA-N 1 1 283.372 -0.166 10 0 CBAEMO COC(=O)CCNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113271616 351812849 /nfs/dbraw/zinc/81/28/49/351812849.db2.gz CDLJXGCRRZUORA-VXGBXAGGSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(C)(=O)=O ZINC000113613719 351815132 /nfs/dbraw/zinc/81/51/32/351815132.db2.gz MDTGVLSPWUYNLX-WDEREUQCSA-N 1 1 289.401 -0.091 10 0 CBAEMO CN1CCN(CCNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129640490 351872387 /nfs/dbraw/zinc/87/23/87/351872387.db2.gz FVBJMFGOJCNTNU-UHFFFAOYSA-N 1 1 297.447 -0.966 10 0 CBAEMO OCCOCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000132979016 351896414 /nfs/dbraw/zinc/89/64/14/351896414.db2.gz HUCYWCADLZMQGA-LBPRGKRZSA-N 1 1 255.318 -0.407 10 0 CBAEMO OCCOCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000132979016 351896418 /nfs/dbraw/zinc/89/64/18/351896418.db2.gz HUCYWCADLZMQGA-LBPRGKRZSA-N 1 1 255.318 -0.407 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(=O)N(C)C)CC1 ZINC000133698271 351900860 /nfs/dbraw/zinc/90/08/60/351900860.db2.gz BBTNGDFBCDNVAO-LLVKDONJSA-N 1 1 286.376 -0.827 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000133754722 351900889 /nfs/dbraw/zinc/90/08/89/351900889.db2.gz CCKQSSUVROULGQ-NWDGAFQWSA-N 1 1 298.387 -0.685 10 0 CBAEMO COC[C@@H](N)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159355073 351962116 /nfs/dbraw/zinc/96/21/16/351962116.db2.gz CGMCTPKETHSPQI-CYBMUJFWSA-N 1 1 285.388 -0.469 10 0 CBAEMO CCNC(=O)NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171642395 352014771 /nfs/dbraw/zinc/01/47/71/352014771.db2.gz UYRDBQXMIQWLTD-SNVBAGLBSA-N 1 1 254.334 -0.388 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000166031315 351986675 /nfs/dbraw/zinc/98/66/75/351986675.db2.gz QPSJAFCIJNJJPZ-UHFFFAOYSA-N 1 1 299.415 -0.077 10 0 CBAEMO COCCN1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000166031315 351986677 /nfs/dbraw/zinc/98/66/77/351986677.db2.gz QPSJAFCIJNJJPZ-UHFFFAOYSA-N 1 1 299.415 -0.077 10 0 CBAEMO O=C(Cc1nc2ncccn2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171586521 352013481 /nfs/dbraw/zinc/01/34/81/352013481.db2.gz CDJCVJNLNYINET-LLVKDONJSA-N 1 1 286.339 -0.027 10 0 CBAEMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000174663523 352050023 /nfs/dbraw/zinc/05/00/23/352050023.db2.gz ZPNQRGLKVGOBSB-SNVBAGLBSA-N 1 1 294.355 -0.377 10 0 CBAEMO COCC[N@H+]1CCN(c2nccn(C)c2=O)C[C@H]1C ZINC000174734734 352050712 /nfs/dbraw/zinc/05/07/12/352050712.db2.gz OTULRQURWPDKKO-LLVKDONJSA-N 1 1 266.345 -0.063 10 0 CBAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CCNC1=O ZINC000177755386 352076012 /nfs/dbraw/zinc/07/60/12/352076012.db2.gz OGIIVRQXNFHPEE-NSHDSACASA-N 1 1 266.345 -0.292 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000176853793 352068771 /nfs/dbraw/zinc/06/87/71/352068771.db2.gz UYQYNQROKZQJPY-QWRGUYRKSA-N 1 1 292.401 -0.544 10 0 CBAEMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177042224 352069622 /nfs/dbraw/zinc/06/96/22/352069622.db2.gz RZFSFDLJXFIJDK-MNOVXSKESA-N 1 1 271.361 -0.716 10 0 CBAEMO C[C@H]1CN(Cc2ncnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000177234270 352071446 /nfs/dbraw/zinc/07/14/46/352071446.db2.gz NPMFOWHSNQENKR-RYUDHWBXSA-N 1 1 265.361 -0.032 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000171702283 352015887 /nfs/dbraw/zinc/01/58/87/352015887.db2.gz WBUBQTCDRHQPHH-LBPRGKRZSA-N 1 1 279.344 -0.226 10 0 CBAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000171702283 352015889 /nfs/dbraw/zinc/01/58/89/352015889.db2.gz WBUBQTCDRHQPHH-LBPRGKRZSA-N 1 1 279.344 -0.226 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770350 352016784 /nfs/dbraw/zinc/01/67/84/352016784.db2.gz GTAKFMGQTWMJJT-LLVKDONJSA-N 1 1 277.390 -0.411 10 0 CBAEMO CN1CCO[C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171907371 352017739 /nfs/dbraw/zinc/01/77/39/352017739.db2.gz VZNDQGZAIALFCW-CHWSQXEVSA-N 1 1 282.388 -0.193 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171907372 352017866 /nfs/dbraw/zinc/01/78/66/352017866.db2.gz VZNDQGZAIALFCW-OLZOCXBDSA-N 1 1 282.388 -0.193 10 0 CBAEMO O=C(NCCN1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171896376 352017936 /nfs/dbraw/zinc/01/79/36/352017936.db2.gz DOQVIQNHUJJIOW-CYBMUJFWSA-N 1 1 282.388 -0.192 10 0 CBAEMO CCS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171893127 352018098 /nfs/dbraw/zinc/01/80/98/352018098.db2.gz XNKJCUBCESLUQQ-NSHDSACASA-N 1 1 289.401 -0.089 10 0 CBAEMO CCS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171893127 352018100 /nfs/dbraw/zinc/01/81/00/352018100.db2.gz XNKJCUBCESLUQQ-NSHDSACASA-N 1 1 289.401 -0.089 10 0 CBAEMO CNC(=O)NC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172804645 352031193 /nfs/dbraw/zinc/03/11/93/352031193.db2.gz WEJZKBWDTONVHG-SNVBAGLBSA-N 1 1 254.334 -0.388 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CC(=O)NC)C[C@H]1C ZINC000186630780 352128729 /nfs/dbraw/zinc/12/87/29/352128729.db2.gz QWBDWENMPZSOFM-LLVKDONJSA-N 1 1 271.361 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CC(=O)NC)C[C@H]1C ZINC000186630780 352128733 /nfs/dbraw/zinc/12/87/33/352128733.db2.gz QWBDWENMPZSOFM-LLVKDONJSA-N 1 1 271.361 -0.308 10 0 CBAEMO CNC(=O)[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000179126693 352087840 /nfs/dbraw/zinc/08/78/40/352087840.db2.gz OWECUGZKWQOAKR-VHSXEESVSA-N 1 1 257.334 -0.796 10 0 CBAEMO CNC(=O)[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000179126693 352087842 /nfs/dbraw/zinc/08/78/42/352087842.db2.gz OWECUGZKWQOAKR-VHSXEESVSA-N 1 1 257.334 -0.796 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000179498078 352091270 /nfs/dbraw/zinc/09/12/70/352091270.db2.gz LJMARBCVCQHIFE-WDEREUQCSA-N 1 1 279.344 -0.723 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000180514822 352094435 /nfs/dbraw/zinc/09/44/35/352094435.db2.gz PUTLVPHUJVBICP-AWEZNQCLSA-N 1 1 296.415 -0.833 10 0 CBAEMO CN1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000180482901 352094688 /nfs/dbraw/zinc/09/46/88/352094688.db2.gz RUDFYUGTBGUOTR-CYBMUJFWSA-N 1 1 266.389 -0.460 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC000182248048 352103579 /nfs/dbraw/zinc/10/35/79/352103579.db2.gz PQHAXNAINBXCBH-VXGBXAGGSA-N 1 1 293.371 -0.333 10 0 CBAEMO CCCCC[N@H+](CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000183050251 352107122 /nfs/dbraw/zinc/10/71/22/352107122.db2.gz VESWMYNNJNTXQL-LBPRGKRZSA-N 1 1 285.388 -0.053 10 0 CBAEMO O=c1[nH]c(CC[N@@H+]2C[C@H](O)C[C@@H]2CO)nc2ccccc21 ZINC000184744875 352113513 /nfs/dbraw/zinc/11/35/13/352113513.db2.gz DECRBYVJLCCCRN-GHMZBOCLSA-N 1 1 289.335 -0.107 10 0 CBAEMO O=c1c2ccccc2ncn1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185140403 352115994 /nfs/dbraw/zinc/11/59/94/352115994.db2.gz RYQYBFAUEZHERB-VXGBXAGGSA-N 1 1 289.335 -0.176 10 0 CBAEMO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135151 352116741 /nfs/dbraw/zinc/11/67/41/352116741.db2.gz ZGLCGSDPKADTHQ-GHMZBOCLSA-N 1 1 258.362 -0.034 10 0 CBAEMO CC(C)(C)CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135151 352116742 /nfs/dbraw/zinc/11/67/42/352116742.db2.gz ZGLCGSDPKADTHQ-GHMZBOCLSA-N 1 1 258.362 -0.034 10 0 CBAEMO CCc1nnc([C@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CCO2)[nH]1 ZINC000188925010 352161770 /nfs/dbraw/zinc/16/17/70/352161770.db2.gz DVLSVXURMYWUEG-IVZWLZJFSA-N 1 1 297.334 -0.033 10 0 CBAEMO CCCN1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1=O ZINC000189395770 352169000 /nfs/dbraw/zinc/16/90/00/352169000.db2.gz VXMJTUPUCDOPBW-CYBMUJFWSA-N 1 1 297.399 -0.086 10 0 CBAEMO CCCN1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)CC1=O ZINC000189395770 352169004 /nfs/dbraw/zinc/16/90/04/352169004.db2.gz VXMJTUPUCDOPBW-CYBMUJFWSA-N 1 1 297.399 -0.086 10 0 CBAEMO CCCN1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1=O ZINC000189395742 352169034 /nfs/dbraw/zinc/16/90/34/352169034.db2.gz VXMJTUPUCDOPBW-ZDUSSCGKSA-N 1 1 297.399 -0.086 10 0 CBAEMO CCCN1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1=O ZINC000189395742 352169039 /nfs/dbraw/zinc/16/90/39/352169039.db2.gz VXMJTUPUCDOPBW-ZDUSSCGKSA-N 1 1 297.399 -0.086 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000189456943 352170701 /nfs/dbraw/zinc/17/07/01/352170701.db2.gz VIXPSALCUPHGJR-JTQLQIEISA-N 1 1 296.327 -0.472 10 0 CBAEMO COCCC[N@@H+](CCO)C[C@@H](O)CN1CCCC1=O ZINC000189922839 352176520 /nfs/dbraw/zinc/17/65/20/352176520.db2.gz JKSGERLKXLMDNS-GFCCVEGCSA-N 1 1 274.361 -0.700 10 0 CBAEMO CCOCC[N@H+]1CCN(Cc2nnn(C)n2)C[C@@H]1C ZINC000194435000 352215299 /nfs/dbraw/zinc/21/52/99/352215299.db2.gz JYGDUKFFVIELCQ-NSHDSACASA-N 1 1 268.365 -0.247 10 0 CBAEMO CN(CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC000195061288 352221637 /nfs/dbraw/zinc/22/16/37/352221637.db2.gz NRBRKLWURAZJCD-LLVKDONJSA-N 1 1 289.401 -0.426 10 0 CBAEMO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000195202133 352223675 /nfs/dbraw/zinc/22/36/75/352223675.db2.gz XVLGUTXAJCBCEV-LBPRGKRZSA-N 1 1 274.361 -0.700 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000195216013 352223774 /nfs/dbraw/zinc/22/37/74/352223774.db2.gz RSDAQCZDILVPKA-RYUDHWBXSA-N 1 1 274.361 -0.389 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000195216013 352223778 /nfs/dbraw/zinc/22/37/78/352223778.db2.gz RSDAQCZDILVPKA-RYUDHWBXSA-N 1 1 274.361 -0.389 10 0 CBAEMO CCOC(=O)[C@H]([NH3+])C/C=C/[C@H](NC(C)=O)C(=O)OCC ZINC000217852679 352233983 /nfs/dbraw/zinc/23/39/83/352233983.db2.gz PHQNSHGWWAZZLV-QISKZBHPSA-N 1 1 286.328 -0.109 10 0 CBAEMO O=C(C[N@@H+]1CC[C@@H](CCO)C1)NC[C@@H]1CCCO1 ZINC000227576546 352258254 /nfs/dbraw/zinc/25/82/54/352258254.db2.gz ZUVCAFXPLJMUFY-RYUDHWBXSA-N 1 1 256.346 -0.014 10 0 CBAEMO O=C(C[N@@H+]1CC[C@@H](CCO)C1)NC(=O)NC1CC1 ZINC000227572288 352258427 /nfs/dbraw/zinc/25/84/27/352258427.db2.gz ZGCXSGFXKGQHLK-VIFPVBQESA-N 1 1 255.318 -0.321 10 0 CBAEMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CNC(=O)C1 ZINC000223974590 352243502 /nfs/dbraw/zinc/24/35/02/352243502.db2.gz QZXMJTVLELJOBC-GARJFASQSA-N 1 1 251.330 -0.135 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000224055281 352244608 /nfs/dbraw/zinc/24/46/08/352244608.db2.gz YINYADCIYMNJFS-UWVGGRQHSA-N 1 1 257.334 -0.523 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000224159065 352245917 /nfs/dbraw/zinc/24/59/17/352245917.db2.gz YMGJWEVKSQHRHP-GHMZBOCLSA-N 1 1 271.361 -0.181 10 0 CBAEMO COCC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000224251235 352246257 /nfs/dbraw/zinc/24/62/57/352246257.db2.gz RKRYQNLGVASWOW-UHFFFAOYSA-N 1 1 265.317 -0.187 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000245457003 352320795 /nfs/dbraw/zinc/32/07/95/352320795.db2.gz JLLNYJMAUOYDBD-CHWSQXEVSA-N 1 1 285.388 -0.504 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000245457003 352320797 /nfs/dbraw/zinc/32/07/97/352320797.db2.gz JLLNYJMAUOYDBD-CHWSQXEVSA-N 1 1 285.388 -0.504 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000236979464 352296898 /nfs/dbraw/zinc/29/68/98/352296898.db2.gz LMZVXVSXPHDKIY-NWDGAFQWSA-N 1 1 256.394 -0.134 10 0 CBAEMO OC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000248390527 352351773 /nfs/dbraw/zinc/35/17/73/352351773.db2.gz IGSLXFCWNFJQNK-ZNMIVQPWSA-N 1 1 281.352 -0.008 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000248615185 352354072 /nfs/dbraw/zinc/35/40/72/352354072.db2.gz LUOIDGPQBRJRCI-SDDRHHMPSA-N 1 1 298.387 -0.686 10 0 CBAEMO COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245614027 352322882 /nfs/dbraw/zinc/32/28/82/352322882.db2.gz CKOPZXFEQGMSFS-NEPJUHHUSA-N 1 1 283.372 -0.214 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC000248638951 352354976 /nfs/dbraw/zinc/35/49/76/352354976.db2.gz MOHLWPHCNSIYSL-VHSXEESVSA-N 1 1 258.318 -0.774 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246323934 352331310 /nfs/dbraw/zinc/33/13/10/352331310.db2.gz ZCWHMMMDRITGCY-VHSXEESVSA-N 1 1 265.379 -0.772 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246323934 352331314 /nfs/dbraw/zinc/33/13/14/352331314.db2.gz ZCWHMMMDRITGCY-VHSXEESVSA-N 1 1 265.379 -0.772 10 0 CBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246428613 352332211 /nfs/dbraw/zinc/33/22/11/352332211.db2.gz LBWGYWYXNPOWMU-UONOGXRCSA-N 1 1 297.399 -0.502 10 0 CBAEMO C[C@H]1C[N@@H+](CCOCCO)C[C@H]1N1CCOCC1 ZINC000246495949 352333364 /nfs/dbraw/zinc/33/33/64/352333364.db2.gz PQDPZQNDRKIZHH-QWHCGFSZSA-N 1 1 258.362 -0.352 10 0 CBAEMO CN(C)c1nc(N)nc(CN2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000246440989 352333655 /nfs/dbraw/zinc/33/36/55/352333655.db2.gz LZSQPCAPKXJWGN-JTQLQIEISA-N 1 1 277.376 -0.200 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000246926922 352339314 /nfs/dbraw/zinc/33/93/14/352339314.db2.gz JHJQPJBSBKXDHQ-GJZGRUSLSA-N 1 1 299.415 -0.914 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nccc(N)n2)C[C@H]1C ZINC000247004443 352340405 /nfs/dbraw/zinc/34/04/05/352340405.db2.gz XABBPUMWLUBSHA-MNOVXSKESA-N 1 1 265.361 -0.054 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000246967255 352340497 /nfs/dbraw/zinc/34/04/97/352340497.db2.gz KCOQOTRVZFNYJJ-SDDRHHMPSA-N 1 1 255.362 -0.396 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1C ZINC000247069815 352342222 /nfs/dbraw/zinc/34/22/22/352342222.db2.gz GLUQSRGWSQJORA-RYUDHWBXSA-N 1 1 269.389 -0.006 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)C2CC2)C[C@H]1C ZINC000247069794 352342730 /nfs/dbraw/zinc/34/27/30/352342730.db2.gz GLUQSRGWSQJORA-NEPJUHHUSA-N 1 1 269.389 -0.006 10 0 CBAEMO Cn1c(CN2CC[N@H+]3CCC[C@H]3C2)cc(=O)n(C)c1=O ZINC000247441359 352347423 /nfs/dbraw/zinc/34/74/23/352347423.db2.gz ZYHHHTKIDPFNKV-NSHDSACASA-N 1 1 278.356 -0.636 10 0 CBAEMO COC(=O)CSCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261885275 352399686 /nfs/dbraw/zinc/39/96/86/352399686.db2.gz FSUYZOIASLCCBN-SCZZXKLOSA-N 1 1 276.358 -0.614 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000250248210 352372245 /nfs/dbraw/zinc/37/22/45/352372245.db2.gz IFUUOHIOAGXXPC-IJLUTSLNSA-N 1 1 255.362 -0.036 10 0 CBAEMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2)C1 ZINC000250518916 352372880 /nfs/dbraw/zinc/37/28/80/352372880.db2.gz RYJPIPTYWGZMSJ-VXGBXAGGSA-N 1 1 255.362 -0.179 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250485438 352372913 /nfs/dbraw/zinc/37/29/13/352372913.db2.gz LFHCHIFBWQKUOK-NXEZZACHSA-N 1 1 260.334 -0.652 10 0 CBAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000250485438 352372917 /nfs/dbraw/zinc/37/29/17/352372917.db2.gz LFHCHIFBWQKUOK-NXEZZACHSA-N 1 1 260.334 -0.652 10 0 CBAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COCCN3)CC[C@@H]21 ZINC000250647960 352373329 /nfs/dbraw/zinc/37/33/29/352373329.db2.gz VXHZLTIHUBVZIS-UPJWGTAASA-N 1 1 267.373 -0.083 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1COCCN1 ZINC000250812091 352374053 /nfs/dbraw/zinc/37/40/53/352374053.db2.gz DLSFCKFVRYKQDW-IJLUTSLNSA-N 1 1 253.346 -0.282 10 0 CBAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000251910074 352376249 /nfs/dbraw/zinc/37/62/49/352376249.db2.gz XBYIDRPJSXDATI-QWRGUYRKSA-N 1 1 278.360 -0.055 10 0 CBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCNCC1 ZINC000251855081 352376405 /nfs/dbraw/zinc/37/64/05/352376405.db2.gz RWBGPDDCDZJVNP-KGLIPLIRSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCNCC1 ZINC000251855081 352376409 /nfs/dbraw/zinc/37/64/09/352376409.db2.gz RWBGPDDCDZJVNP-KGLIPLIRSA-N 1 1 280.416 -0.023 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000253083582 352381642 /nfs/dbraw/zinc/38/16/42/352381642.db2.gz XZQBSNAEUPARBB-GMTAPVOTSA-N 1 1 269.345 -0.428 10 0 CBAEMO CC1(C)NC(=O)N(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000261679338 352392978 /nfs/dbraw/zinc/39/29/78/352392978.db2.gz GPSMKDRDFFWIDW-GARJFASQSA-N 1 1 280.372 -0.014 10 0 CBAEMO NS(=O)(=O)C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261749241 352395457 /nfs/dbraw/zinc/39/54/57/352395457.db2.gz CBYSGLMJILUOIL-RYUDHWBXSA-N 1 1 275.418 -0.014 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000249055084 352359421 /nfs/dbraw/zinc/35/94/21/352359421.db2.gz OWSVMNGFUCLCSK-FRRDWIJNSA-N 1 1 286.372 -0.247 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262133241 352408517 /nfs/dbraw/zinc/40/85/17/352408517.db2.gz GRCJEPPOQZKVEU-SCVCMEIPSA-N 1 1 253.346 -0.284 10 0 CBAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263258833 352441225 /nfs/dbraw/zinc/44/12/25/352441225.db2.gz QSJAJJOACAKKTR-VHSXEESVSA-N 1 1 276.331 -0.654 10 0 CBAEMO C[C@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000262281431 352413025 /nfs/dbraw/zinc/41/30/25/352413025.db2.gz NYLDWPKMZFHWDT-DGAVXFQQSA-N 1 1 297.399 -0.458 10 0 CBAEMO CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000262793947 352434307 /nfs/dbraw/zinc/43/43/07/352434307.db2.gz OVODMISHNJLJGT-UTUOFQBUSA-N 1 1 273.377 -0.736 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000261992599 352403269 /nfs/dbraw/zinc/40/32/69/352403269.db2.gz SYGZKMZAPDSBMQ-UTUOFQBUSA-N 1 1 279.344 -0.182 10 0 CBAEMO CCc1cc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)n[nH]1 ZINC000299741178 352728123 /nfs/dbraw/zinc/72/81/23/352728123.db2.gz DKCKSTQKXSZOMO-MNOVXSKESA-N 1 1 250.302 -0.215 10 0 CBAEMO C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000310293372 352758834 /nfs/dbraw/zinc/75/88/34/352758834.db2.gz RZIJFSFGOXEONE-DTWKUNHWSA-N 1 1 258.347 -0.020 10 0 CBAEMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1N(C)C ZINC000311252052 352767025 /nfs/dbraw/zinc/76/70/25/352767025.db2.gz TZDYNNLWOSEWDH-MGPQQGTHSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1N(C)C ZINC000311252052 352767030 /nfs/dbraw/zinc/76/70/30/352767030.db2.gz TZDYNNLWOSEWDH-MGPQQGTHSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1N(C)C ZINC000311252051 352767455 /nfs/dbraw/zinc/76/74/55/352767455.db2.gz TZDYNNLWOSEWDH-MCIONIFRSA-N 1 1 271.405 -0.439 10 0 CBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1N(C)C ZINC000311252051 352767456 /nfs/dbraw/zinc/76/74/56/352767456.db2.gz TZDYNNLWOSEWDH-MCIONIFRSA-N 1 1 271.405 -0.439 10 0 CBAEMO CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311889779 352771507 /nfs/dbraw/zinc/77/15/07/352771507.db2.gz DAILJWCKNLIRPB-VXGBXAGGSA-N 1 1 291.417 -0.622 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336786043 353051518 /nfs/dbraw/zinc/05/15/18/353051518.db2.gz AZWOSOCDSMYGJK-ZYHUDNBSSA-N 1 1 260.334 -0.914 10 0 CBAEMO Cn1nccc1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336788073 353052413 /nfs/dbraw/zinc/05/24/13/353052413.db2.gz GLISLMYUWXHJRQ-LBPRGKRZSA-N 1 1 252.318 -0.725 10 0 CBAEMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000157164617 188300842 /nfs/dbraw/zinc/30/08/42/188300842.db2.gz JVDUPSAQDPUAKG-AVGNSLFASA-N 1 1 286.372 -0.559 10 0 CBAEMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000157164617 188300843 /nfs/dbraw/zinc/30/08/43/188300843.db2.gz JVDUPSAQDPUAKG-AVGNSLFASA-N 1 1 286.372 -0.559 10 0 CBAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCCN2CCOCC2)C1 ZINC000344711577 353305955 /nfs/dbraw/zinc/30/59/55/353305955.db2.gz LOPCVPUXJMFQBE-STQMWFEESA-N 1 1 258.362 -0.210 10 0 CBAEMO C[C@@](O)(C[N@H+]1CCC[C@](O)(C(N)=O)C1)C(F)(F)F ZINC000375465169 353761186 /nfs/dbraw/zinc/76/11/86/353761186.db2.gz HCLBVUMAASPKRE-RKDXNWHRSA-N 1 1 270.251 -0.388 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000380429281 353782201 /nfs/dbraw/zinc/78/22/01/353782201.db2.gz ZOSRJNAZOJUBDL-CQSZACIVSA-N 1 1 283.372 -0.253 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000380429281 353782205 /nfs/dbraw/zinc/78/22/05/353782205.db2.gz ZOSRJNAZOJUBDL-CQSZACIVSA-N 1 1 283.372 -0.253 10 0 CBAEMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000398942317 353797872 /nfs/dbraw/zinc/79/78/72/353797872.db2.gz KILWALRLNREGSZ-WDEREUQCSA-N 1 1 269.345 -0.651 10 0 CBAEMO COCCOC[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262305009 137713407 /nfs/dbraw/zinc/71/34/07/137713407.db2.gz PZKCLNRGBMDVSW-UPJWGTAASA-N 1 1 286.372 -0.125 10 0 CBAEMO Cc1cc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)n[nH]1 ZINC000404038714 353805049 /nfs/dbraw/zinc/80/50/49/353805049.db2.gz ZONMSARHRBHHPU-GHMZBOCLSA-N 1 1 250.302 -0.079 10 0 CBAEMO COCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404207904 353806397 /nfs/dbraw/zinc/80/63/97/353806397.db2.gz TXVSSPMDGHWAIH-ZJUUUORDSA-N 1 1 264.347 -0.975 10 0 CBAEMO O=S(=O)(c1cccnc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404212376 353806610 /nfs/dbraw/zinc/80/66/10/353806610.db2.gz WNQQXEWNGRGTMG-RYUDHWBXSA-N 1 1 283.353 -0.167 10 0 CBAEMO CNS(=O)(=O)CCC[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000444765167 354278813 /nfs/dbraw/zinc/27/88/13/354278813.db2.gz YKYVANRVVGFJTL-RKDXNWHRSA-N 1 1 254.327 -0.670 10 0 CBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000444765167 354278815 /nfs/dbraw/zinc/27/88/15/354278815.db2.gz YKYVANRVVGFJTL-RKDXNWHRSA-N 1 1 254.327 -0.670 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000599289310 355477056 /nfs/dbraw/zinc/47/70/56/355477056.db2.gz COCBACBTQJXPQA-NWDGAFQWSA-N 1 1 274.361 -0.437 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616639987 356105187 /nfs/dbraw/zinc/10/51/87/356105187.db2.gz UDOVEWBLDNZION-LLVKDONJSA-N 1 1 283.353 -0.309 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2CO)C1 ZINC000616650850 356105446 /nfs/dbraw/zinc/10/54/46/356105446.db2.gz CIIACNFMLYIGDY-LLVKDONJSA-N 1 1 271.342 -0.671 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)C1 ZINC000616772343 356112776 /nfs/dbraw/zinc/11/27/76/356112776.db2.gz QSFQGSOADRJPLM-VOAKCMCISA-N 1 1 294.355 -0.606 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)C1 ZINC000616772343 356112783 /nfs/dbraw/zinc/11/27/83/356112783.db2.gz QSFQGSOADRJPLM-VOAKCMCISA-N 1 1 294.355 -0.606 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@H](c2ccccc2F)C1 ZINC000616635816 356103401 /nfs/dbraw/zinc/10/34/01/356103401.db2.gz SWOFMLQRSYUBPN-JTQLQIEISA-N 1 1 259.306 -0.025 10 0 CBAEMO Cc1nccnc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000621726736 356282709 /nfs/dbraw/zinc/28/27/09/356282709.db2.gz DWQCMKKAEZUUAC-LBPRGKRZSA-N 1 1 250.302 -0.403 10 0 CBAEMO NC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328948509 202125671 /nfs/dbraw/zinc/12/56/71/202125671.db2.gz WFIYFKXOIUFVQW-SCZZXKLOSA-N 1 1 252.318 -0.094 10 0 CBAEMO NC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328948509 202125672 /nfs/dbraw/zinc/12/56/72/202125672.db2.gz WFIYFKXOIUFVQW-SCZZXKLOSA-N 1 1 252.318 -0.094 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CC(n3ccnn3)C2)[N@@H+](C)C1 ZINC000329054140 202170153 /nfs/dbraw/zinc/17/01/53/202170153.db2.gz SCAACIOZJPRRGQ-QWRGUYRKSA-N 1 1 265.317 -0.620 10 0 CBAEMO CC[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000631553507 356894537 /nfs/dbraw/zinc/89/45/37/356894537.db2.gz UMVPOPUINYCONX-NWDGAFQWSA-N 1 1 293.371 -0.084 10 0 CBAEMO CCOC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCO1 ZINC000638603478 357500409 /nfs/dbraw/zinc/50/04/09/357500409.db2.gz DCSXRBBIXWQDDT-WOPDTQHZSA-N 1 1 272.345 -0.373 10 0 CBAEMO CCOC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000638604110 357500485 /nfs/dbraw/zinc/50/04/85/357500485.db2.gz YIVIQSZRHIRMJX-QWRGUYRKSA-N 1 1 258.318 -0.761 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848883 357606382 /nfs/dbraw/zinc/60/63/82/357606382.db2.gz JZTKUGUWCFXTPI-UPJWGTAASA-N 1 1 261.362 -0.018 10 0 CBAEMO CCn1c(C)nnc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639871487 357615429 /nfs/dbraw/zinc/61/54/29/357615429.db2.gz KODJXVDFZAQDHB-LLVKDONJSA-N 1 1 253.350 -0.285 10 0 CBAEMO CCn1c(C)nnc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639871487 357615433 /nfs/dbraw/zinc/61/54/33/357615433.db2.gz KODJXVDFZAQDHB-LLVKDONJSA-N 1 1 253.350 -0.285 10 0 CBAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000639938656 357618985 /nfs/dbraw/zinc/61/89/85/357618985.db2.gz HLUINGKXYNLUCN-NXEZZACHSA-N 1 1 250.364 -0.277 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000262091179 291210711 /nfs/dbraw/zinc/21/07/11/291210711.db2.gz DBYYDRZPQQHYLC-MNOVXSKESA-N 1 1 273.402 -0.472 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178328848 189107265 /nfs/dbraw/zinc/10/72/65/189107265.db2.gz NDGUEGNVJTYULB-GFCCVEGCSA-N 1 1 294.355 -0.055 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCc1ccccc1F ZINC000179176813 189175378 /nfs/dbraw/zinc/17/53/78/189175378.db2.gz AUPAWKKBRMIHNE-VXGBXAGGSA-N 1 1 282.315 -0.131 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCc1ccccc1F ZINC000179176813 189175379 /nfs/dbraw/zinc/17/53/79/189175379.db2.gz AUPAWKKBRMIHNE-VXGBXAGGSA-N 1 1 282.315 -0.131 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000182086450 189313771 /nfs/dbraw/zinc/31/37/71/189313771.db2.gz NKSATWDRIVEHSW-VHSXEESVSA-N 1 1 282.348 -0.266 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000182086450 189313772 /nfs/dbraw/zinc/31/37/72/189313772.db2.gz NKSATWDRIVEHSW-VHSXEESVSA-N 1 1 282.348 -0.266 10 0 CBAEMO CC(C)(O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000111216288 372786962 /nfs/dbraw/zinc/78/69/62/372786962.db2.gz OONBVOIRMDUKDE-VIFPVBQESA-N 1 1 265.379 -0.738 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[NH+](C)C1 ZINC000162205939 372820005 /nfs/dbraw/zinc/82/00/05/372820005.db2.gz GKTFAOWCDLUJCV-KBPBESRZSA-N 1 1 271.405 -0.437 10 0 CBAEMO C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@H+](C)C1 ZINC000162205939 372820011 /nfs/dbraw/zinc/82/00/11/372820011.db2.gz GKTFAOWCDLUJCV-KBPBESRZSA-N 1 1 271.405 -0.437 10 0 CBAEMO C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000162205939 372820015 /nfs/dbraw/zinc/82/00/15/372820015.db2.gz GKTFAOWCDLUJCV-KBPBESRZSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@H+](C)C1 ZINC000162205939 372820022 /nfs/dbraw/zinc/82/00/22/372820022.db2.gz GKTFAOWCDLUJCV-KBPBESRZSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000162205939 372820028 /nfs/dbraw/zinc/82/00/28/372820028.db2.gz GKTFAOWCDLUJCV-KBPBESRZSA-N 1 1 271.405 -0.437 10 0 CBAEMO Cc1csc2nc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)n12 ZINC000179185269 372842621 /nfs/dbraw/zinc/84/26/21/372842621.db2.gz GKHAZGYFXDONMD-GHMZBOCLSA-N 1 1 295.364 -0.008 10 0 CBAEMO Cc1csc2nc(C[N@H+]3C[C@H](O)C[C@@H]3CO)cc(=O)n12 ZINC000179185269 372842623 /nfs/dbraw/zinc/84/26/23/372842623.db2.gz GKHAZGYFXDONMD-GHMZBOCLSA-N 1 1 295.364 -0.008 10 0 CBAEMO Cc1csc2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)cc(=O)n12 ZINC000179185285 372842778 /nfs/dbraw/zinc/84/27/78/372842778.db2.gz GKHAZGYFXDONMD-MNOVXSKESA-N 1 1 295.364 -0.008 10 0 CBAEMO Cc1csc2nc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)cc(=O)n12 ZINC000179185285 372842779 /nfs/dbraw/zinc/84/27/79/372842779.db2.gz GKHAZGYFXDONMD-MNOVXSKESA-N 1 1 295.364 -0.008 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000245453357 372882477 /nfs/dbraw/zinc/88/24/77/372882477.db2.gz FMVHPCCQXKIOIP-RYUDHWBXSA-N 1 1 253.346 -0.376 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902894 217351287 /nfs/dbraw/zinc/35/12/87/217351287.db2.gz XEMRQCCOLADUFT-VHSXEESVSA-N 1 1 271.317 -0.944 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000344902894 217351290 /nfs/dbraw/zinc/35/12/90/217351290.db2.gz XEMRQCCOLADUFT-VHSXEESVSA-N 1 1 271.317 -0.944 10 0 CBAEMO CC(C)N1CC[C@@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000367003119 373533256 /nfs/dbraw/zinc/53/32/56/373533256.db2.gz MEHQYINEBVIOKB-MFKMUULPSA-N 1 1 269.345 -0.692 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000399078519 373583891 /nfs/dbraw/zinc/58/38/91/373583891.db2.gz SMBHKOHLEWZROZ-BARDWOONSA-N 1 1 284.400 -0.228 10 0 CBAEMO CC[C@](C)(O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372903938 373556245 /nfs/dbraw/zinc/55/62/45/373556245.db2.gz QOEQNEZVTPCEIZ-UWVGGRQHSA-N 1 1 250.364 -0.100 10 0 CBAEMO CCN(C)C(=O)CC[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617883 374363960 /nfs/dbraw/zinc/36/39/60/374363960.db2.gz DKFGKOQLQZMQRV-CYBMUJFWSA-N 1 1 281.360 -0.044 10 0 CBAEMO CCN(C)C(=O)CC[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617883 374363965 /nfs/dbraw/zinc/36/39/65/374363965.db2.gz DKFGKOQLQZMQRV-CYBMUJFWSA-N 1 1 281.360 -0.044 10 0 CBAEMO CCN(C)C(=O)CC[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617883 374363969 /nfs/dbraw/zinc/36/39/69/374363969.db2.gz DKFGKOQLQZMQRV-CYBMUJFWSA-N 1 1 281.360 -0.044 10 0 CBAEMO COC[C@@]1(C(=O)N[C@@H](C)c2nnc[nH]2)CCC[NH2+]1 ZINC000643783013 374418197 /nfs/dbraw/zinc/41/81/97/374418197.db2.gz CWAPYPUSYHZDEM-GZMMTYOYSA-N 1 1 253.306 -0.250 10 0 CBAEMO COC[C@@]1(C(=O)N2CCc3[nH]nnc3C2)CCC[NH2+]1 ZINC000643781256 374418992 /nfs/dbraw/zinc/41/89/92/374418992.db2.gz NTIDQATZTBRAIM-GFCCVEGCSA-N 1 1 265.317 -0.542 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000236865186 248164192 /nfs/dbraw/zinc/16/41/92/248164192.db2.gz MISFKAKYXAZVER-NEPJUHHUSA-N 1 1 256.394 -0.134 10 0 CBAEMO COc1ccc([C@H](O)CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000237272623 248164528 /nfs/dbraw/zinc/16/45/28/248164528.db2.gz CFHDCEZVXYUBPB-QWHCGFSZSA-N 1 1 280.324 -0.167 10 0 CBAEMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367490602 248748432 /nfs/dbraw/zinc/74/84/32/248748432.db2.gz VONVLYNHUBSMLT-DOMZBBRYSA-N 1 1 297.399 -0.054 10 0 CBAEMO COCCn1cc(CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)cn1 ZINC000346939723 218064654 /nfs/dbraw/zinc/06/46/54/218064654.db2.gz ZOXLYQUFQHTWTA-STQMWFEESA-N 1 1 296.371 -0.135 10 0 CBAEMO COCCn1cc(CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)cn1 ZINC000346939723 218064656 /nfs/dbraw/zinc/06/46/56/218064656.db2.gz ZOXLYQUFQHTWTA-STQMWFEESA-N 1 1 296.371 -0.135 10 0 CBAEMO O=C1C[C@]2(CC[N@H+]([C@@H]3CCN(C4CC4)C3=O)C2)CN1 ZINC000333053308 296351081 /nfs/dbraw/zinc/35/10/81/296351081.db2.gz QVAYCTCVFQXZQF-BXUZGUMPSA-N 1 1 263.341 -0.038 10 0 CBAEMO C[N@@H+](CCCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000281639704 195318141 /nfs/dbraw/zinc/31/81/41/195318141.db2.gz IPDMAVLRMCDKRS-NSHDSACASA-N 1 1 292.335 -0.042 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)[N@@H+](C)C1 ZINC000329070721 286084665 /nfs/dbraw/zinc/08/46/65/286084665.db2.gz YPOVLLGKEILQOB-PJSNJIKXSA-N 1 1 268.357 -0.065 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1C ZINC000117275287 286085306 /nfs/dbraw/zinc/08/53/06/286085306.db2.gz UOJPJQZEWQMLNW-GHMZBOCLSA-N 1 1 286.376 -0.388 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1C ZINC000117275287 286085309 /nfs/dbraw/zinc/08/53/09/286085309.db2.gz UOJPJQZEWQMLNW-GHMZBOCLSA-N 1 1 286.376 -0.388 10 0 CBAEMO Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@@H](CO)C[C@@H]1O ZINC000004830581 170025347 /nfs/dbraw/zinc/02/53/47/170025347.db2.gz GAKDEQRUZQIUER-CDOJRTKCSA-N 1 1 250.258 -0.346 10 0 CBAEMO COCCNC(=O)[C@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000007203138 170271505 /nfs/dbraw/zinc/27/15/05/170271505.db2.gz ITQVIOUNJYBDDW-LURJTMIESA-N 1 1 271.346 -0.116 10 0 CBAEMO CNC(=O)C[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000007662946 170296578 /nfs/dbraw/zinc/29/65/78/170296578.db2.gz UWEWYHQLPWNULV-UHFFFAOYSA-N 1 1 251.286 -0.031 10 0 CBAEMO Cc1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)ccc1-n1cnnn1 ZINC000037630403 411625032 /nfs/dbraw/zinc/62/50/32/411625032.db2.gz DKXRKZCETOPATC-VIFPVBQESA-N 1 1 289.299 -0.888 10 0 CBAEMO [NH3+][C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000019425911 170795055 /nfs/dbraw/zinc/79/50/55/170795055.db2.gz JGWPFIUYCKUPBS-WDEREUQCSA-N 1 1 268.338 -0.010 10 0 CBAEMO C[C@H](C(=O)N1CCNCC1)[NH+]1CCC(C(N)=O)CC1 ZINC000019516237 170823260 /nfs/dbraw/zinc/82/32/60/170823260.db2.gz ZDHGFEJTPGMEMC-SNVBAGLBSA-N 1 1 268.361 -0.996 10 0 CBAEMO C[C@H](C(=O)N1CCOCC1)[N@@H+](C)CCC(N)=S ZINC000020420690 171185931 /nfs/dbraw/zinc/18/59/31/171185931.db2.gz KVNAFRCIOHPUSC-SECBINFHSA-N 1 1 259.375 -0.158 10 0 CBAEMO CN1CCN([C@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1 ZINC000022563806 171391276 /nfs/dbraw/zinc/39/12/76/171391276.db2.gz MDPLJUGVMRWAQG-NEPJUHHUSA-N 1 1 255.362 -0.143 10 0 CBAEMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000284959432 196165446 /nfs/dbraw/zinc/16/54/46/196165446.db2.gz JNFOMHJNFZLDOD-UKRRQHHQSA-N 1 1 294.351 -0.514 10 0 CBAEMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C)[N@H+]1C ZINC000035442356 172202557 /nfs/dbraw/zinc/20/25/57/172202557.db2.gz MTOHAWQAVLKJST-UMNHJUIQSA-N 1 1 269.345 -0.558 10 0 CBAEMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@@H+]2C)N1C ZINC000035442356 172202560 /nfs/dbraw/zinc/20/25/60/172202560.db2.gz MTOHAWQAVLKJST-UMNHJUIQSA-N 1 1 269.345 -0.558 10 0 CBAEMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@H+]2C)N1C ZINC000035442356 172202563 /nfs/dbraw/zinc/20/25/63/172202563.db2.gz MTOHAWQAVLKJST-UMNHJUIQSA-N 1 1 269.345 -0.558 10 0 CBAEMO C[C@@H](C(=O)N1CCNCC1)N1CCC([NH+](C)C)CC1 ZINC000036192197 172503565 /nfs/dbraw/zinc/50/35/65/172503565.db2.gz UIJUPXHLPGEJEE-LBPRGKRZSA-N 1 1 268.405 -0.167 10 0 CBAEMO C[C@@H](NC1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000037249527 173062014 /nfs/dbraw/zinc/06/20/14/173062014.db2.gz OYPCATDXSFYRTB-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO COC(=O)C[C@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031366 174025617 /nfs/dbraw/zinc/02/56/17/174025617.db2.gz YXYSGJHUURNNPW-JTQLQIEISA-N 1 1 257.334 -0.698 10 0 CBAEMO CC[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(N)n2)C1 ZINC000038038859 174039862 /nfs/dbraw/zinc/03/98/62/174039862.db2.gz OKLKAVXBIRWEBP-VIFPVBQESA-N 1 1 252.322 -0.682 10 0 CBAEMO [NH3+]CCCCN1CCCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038084722 174095098 /nfs/dbraw/zinc/09/50/98/174095098.db2.gz ZRVLZLFFIZPBPE-CYBMUJFWSA-N 1 1 289.445 -0.080 10 0 CBAEMO CCCN(CC(=O)N(C)C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000038101091 174116152 /nfs/dbraw/zinc/11/61/52/174116152.db2.gz TZVWBGUSRBDOMB-VIFPVBQESA-N 1 1 259.375 -0.024 10 0 CBAEMO NCC(=O)NCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101701 174117946 /nfs/dbraw/zinc/11/79/46/174117946.db2.gz BBUFYFSZFXDGAG-UHFFFAOYSA-N 1 1 268.361 -0.852 10 0 CBAEMO COC(=O)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000038101861 174118091 /nfs/dbraw/zinc/11/80/91/174118091.db2.gz VWHBABOKZJLUNF-BDAKNGLRSA-N 1 1 271.317 -0.867 10 0 CBAEMO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)C(=O)N(C)C ZINC000042562363 174797440 /nfs/dbraw/zinc/79/74/40/174797440.db2.gz VQNVZGMDPFWCMG-CBAPKCEASA-N 1 1 253.302 -0.657 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(NN)nn1 ZINC000071193223 176075539 /nfs/dbraw/zinc/07/55/39/176075539.db2.gz WEPLOZDFWKNZAS-VIFPVBQESA-N 1 1 264.333 -0.214 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000079572662 544426750 /nfs/dbraw/zinc/42/67/50/544426750.db2.gz KYUNERYNHXLHAJ-GFCCVEGCSA-N 1 1 261.325 -0.184 10 0 CBAEMO CCC(=O)N1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371285 544433958 /nfs/dbraw/zinc/43/39/58/544433958.db2.gz KMQSIMNIQROFHE-LLVKDONJSA-N 1 1 269.345 -0.554 10 0 CBAEMO Cc1n[nH]cc1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000088372155 544434615 /nfs/dbraw/zinc/43/46/15/544434615.db2.gz KQURRXJFBZTDDI-LLVKDONJSA-N 1 1 252.318 -0.245 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089454543 544436651 /nfs/dbraw/zinc/43/66/51/544436651.db2.gz WEHYAJROTSVRQE-STQMWFEESA-N 1 1 268.405 -0.275 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089454536 544436986 /nfs/dbraw/zinc/43/69/86/544436986.db2.gz WEHYAJROTSVRQE-CHWSQXEVSA-N 1 1 268.405 -0.275 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462804 544437057 /nfs/dbraw/zinc/43/70/57/544437057.db2.gz CYRGMYFGQWIAQN-JHJVBQTASA-N 1 1 268.405 -0.277 10 0 CBAEMO O=C1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C(=O)N1C1CC1 ZINC000106532338 544448225 /nfs/dbraw/zinc/44/82/25/544448225.db2.gz GPZKIQTZFHFIOA-RKDXNWHRSA-N 1 1 251.286 -0.856 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112748187 544449489 /nfs/dbraw/zinc/44/94/89/544449489.db2.gz WFZPNWJSJALINK-LLVKDONJSA-N 1 1 296.375 -0.530 10 0 CBAEMO O=C(NCC[NH+]1CCSCC1)[C@@H]1COCCN1 ZINC000226389229 544492307 /nfs/dbraw/zinc/49/23/07/544492307.db2.gz TZGOKBCCTWFFBH-JTQLQIEISA-N 1 1 259.375 -0.860 10 0 CBAEMO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CCN1C ZINC000136467105 544464690 /nfs/dbraw/zinc/46/46/90/544464690.db2.gz HPMICGPDOJGWFL-NEPJUHHUSA-N 1 1 256.394 -0.278 10 0 CBAEMO C[C@@H]1CN(Cc2nncn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000177215370 544480538 /nfs/dbraw/zinc/48/05/38/544480538.db2.gz MQEABJGBZCCFFJ-NEPJUHHUSA-N 1 1 265.361 -0.032 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000182039412 544483564 /nfs/dbraw/zinc/48/35/64/544483564.db2.gz POYGDQPWQRLJLH-RYUDHWBXSA-N 1 1 271.361 -0.127 10 0 CBAEMO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(-n2cncn2)cc1 ZINC000262078677 544517252 /nfs/dbraw/zinc/51/72/52/544517252.db2.gz DUGYRHVDFJWGHS-OCCSQVGLSA-N 1 1 273.340 -0.063 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1[nH]nc2c1CCC2 ZINC000262107100 544518108 /nfs/dbraw/zinc/51/81/08/544518108.db2.gz FDJXIZNTQUJIIQ-XVKPBYJWSA-N 1 1 250.302 -0.792 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000660756989 419437136 /nfs/dbraw/zinc/43/71/36/419437136.db2.gz BTWJLERIVXXBQP-VPOLOUISSA-N 1 1 263.359 -0.499 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000660756989 419437141 /nfs/dbraw/zinc/43/71/41/419437141.db2.gz BTWJLERIVXXBQP-VPOLOUISSA-N 1 1 263.359 -0.499 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048732527 419449731 /nfs/dbraw/zinc/44/97/31/419449731.db2.gz JOKBOVDJVFAKSQ-WDEREUQCSA-N 1 1 289.401 -0.043 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048732527 419449735 /nfs/dbraw/zinc/44/97/35/419449735.db2.gz JOKBOVDJVFAKSQ-WDEREUQCSA-N 1 1 289.401 -0.043 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000195182082 419558944 /nfs/dbraw/zinc/55/89/44/419558944.db2.gz QVALBLFLUKVMEI-NEPJUHHUSA-N 1 1 271.361 -0.127 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000195182082 419558949 /nfs/dbraw/zinc/55/89/49/419558949.db2.gz QVALBLFLUKVMEI-NEPJUHHUSA-N 1 1 271.361 -0.127 10 0 CBAEMO CC(C)[N@H+](C)C[C@@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000393000319 544579022 /nfs/dbraw/zinc/57/90/22/544579022.db2.gz KFTRTKWPRZBZPA-SRVKXCTJSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC(C)[N@@H+](C)C[C@@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000393000319 544579026 /nfs/dbraw/zinc/57/90/26/544579026.db2.gz KFTRTKWPRZBZPA-SRVKXCTJSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394389331 544580288 /nfs/dbraw/zinc/58/02/88/544580288.db2.gz QKAAYIFKSQHHEF-STQMWFEESA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394393298 544581859 /nfs/dbraw/zinc/58/18/59/544581859.db2.gz XWROHXSDAKPXII-BFHYXJOUSA-N 1 1 280.416 -0.119 10 0 CBAEMO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CCN1CCC2 ZINC000394393362 544581941 /nfs/dbraw/zinc/58/19/41/544581941.db2.gz YOILJULJBXEVSU-KBPBESRZSA-N 1 1 280.416 -0.118 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2CCC[C@@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000314362290 419625326 /nfs/dbraw/zinc/62/53/26/419625326.db2.gz KTFSUSYPTMWYLS-BZPMIXESSA-N 1 1 285.388 -0.592 10 0 CBAEMO O=C(N[C@@H]1CCNC1=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000662839544 419745782 /nfs/dbraw/zinc/74/57/82/419745782.db2.gz UEAGUDCXQNBWHD-NEPJUHHUSA-N 1 1 259.309 -0.122 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C1 ZINC000662854690 419751277 /nfs/dbraw/zinc/75/12/77/419751277.db2.gz UCOQFPQHSWYGHH-IUCAKERBSA-N 1 1 256.350 -0.822 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662954119 419793481 /nfs/dbraw/zinc/79/34/81/419793481.db2.gz LJQJQXMBNPRFFO-RNFRBKRXSA-N 1 1 283.250 -0.631 10 0 CBAEMO C[C@H]1CN(C(=O)Cc2cnnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000669320114 544746544 /nfs/dbraw/zinc/74/65/44/544746544.db2.gz KZISVSUMNIPVIU-WCQYABFASA-N 1 1 293.371 -0.463 10 0 CBAEMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000366947884 420098030 /nfs/dbraw/zinc/09/80/30/420098030.db2.gz VHCSPQBUVAOSLY-ZWNOBZJWSA-N 1 1 271.361 -0.446 10 0 CBAEMO CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CN(C)CCO1 ZINC000653552631 420148593 /nfs/dbraw/zinc/14/85/93/420148593.db2.gz ZSNUGSVNFJHFBN-QWHCGFSZSA-N 1 1 259.394 -0.439 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CN(C)CCO1 ZINC000653552643 420149011 /nfs/dbraw/zinc/14/90/11/420149011.db2.gz ZYAMYVDICVWCCG-ZIAGYGMSSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000653552643 420149015 /nfs/dbraw/zinc/14/90/15/420149015.db2.gz ZYAMYVDICVWCCG-ZIAGYGMSSA-N 1 1 289.420 -0.812 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000653552643 420149020 /nfs/dbraw/zinc/14/90/20/420149020.db2.gz ZYAMYVDICVWCCG-ZIAGYGMSSA-N 1 1 289.420 -0.812 10 0 CBAEMO CC(C)O[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000404661096 420226598 /nfs/dbraw/zinc/22/65/98/420226598.db2.gz WNWFEICVDDBOSZ-VHSXEESVSA-N 1 1 257.334 -0.395 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399045923 420218036 /nfs/dbraw/zinc/21/80/36/420218036.db2.gz DSIABFZMELKBQE-HBNTYKKESA-N 1 1 269.345 -0.075 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398746239 420219142 /nfs/dbraw/zinc/21/91/42/420219142.db2.gz SJLJZOOSEZYPHL-SRVKXCTJSA-N 1 1 276.402 -0.029 10 0 CBAEMO C[N@@H+]1CCO[C@@H](CNCc2nnn(C(C)(C)C)n2)C1 ZINC000657349277 420352717 /nfs/dbraw/zinc/35/27/17/420352717.db2.gz PMKKIJIPBCCFLX-JTQLQIEISA-N 1 1 268.365 -0.152 10 0 CBAEMO C[N@H+]1CCO[C@@H](CNCc2nnn(C(C)(C)C)n2)C1 ZINC000657349277 420352722 /nfs/dbraw/zinc/35/27/22/420352722.db2.gz PMKKIJIPBCCFLX-JTQLQIEISA-N 1 1 268.365 -0.152 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cnn(C)c1C ZINC000657607601 420360042 /nfs/dbraw/zinc/36/00/42/420360042.db2.gz ZPWZXKUJLXSQRZ-WDEREUQCSA-N 1 1 273.358 -0.370 10 0 CBAEMO COCC[NH+]1CCN(C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059128 544923101 /nfs/dbraw/zinc/92/31/01/544923101.db2.gz KXNIJLPUKHONNG-QWHCGFSZSA-N 1 1 258.362 -0.210 10 0 CBAEMO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000681951367 545052314 /nfs/dbraw/zinc/05/23/14/545052314.db2.gz OGCOWBDEIALPTL-LLVKDONJSA-N 1 1 279.406 -0.429 10 0 CBAEMO CS(=O)(=O)N1CCC[N@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659825438 420472145 /nfs/dbraw/zinc/47/21/45/420472145.db2.gz ARNFSRGXDCQJRF-GHMZBOCLSA-N 1 1 262.375 -0.133 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000659900401 420476450 /nfs/dbraw/zinc/47/64/50/420476450.db2.gz ILDDXHDEXAUKOT-SDDRHHMPSA-N 1 1 274.386 -0.422 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[N@H+]2CCC[C@H]2C1 ZINC000659900401 420476452 /nfs/dbraw/zinc/47/64/52/420476452.db2.gz ILDDXHDEXAUKOT-SDDRHHMPSA-N 1 1 274.386 -0.422 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000311162334 262198166 /nfs/dbraw/zinc/19/81/66/262198166.db2.gz PVFOGGSQBQMESK-QWHCGFSZSA-N 1 1 260.378 -0.370 10 0 CBAEMO N[C@]1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258097 545083437 /nfs/dbraw/zinc/08/34/37/545083437.db2.gz GMKUPEFCLXVFQU-LLVKDONJSA-N 1 1 251.290 -0.916 10 0 CBAEMO CC(=O)NCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175618905 277033232 /nfs/dbraw/zinc/03/32/32/277033232.db2.gz WTFVTPHLUPKNRX-DGCLKSJQSA-N 1 1 298.387 -0.515 10 0 CBAEMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4n[nH]cc43)C[C@H]21 ZINC000301671640 277125514 /nfs/dbraw/zinc/12/55/14/277125514.db2.gz QPFKPDROTCTEMY-NXEZZACHSA-N 1 1 260.301 -0.128 10 0 CBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)C3(O)CCOCC3)[C@@H]2C1 ZINC000329191186 277150027 /nfs/dbraw/zinc/15/00/27/277150027.db2.gz QKKVUMUTBFPWBQ-NEPJUHHUSA-N 1 1 284.356 -0.541 10 0 CBAEMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311233723 277166123 /nfs/dbraw/zinc/16/61/23/277166123.db2.gz XXPZVEXAGPVFKO-LBPRGKRZSA-N 1 1 257.334 -0.787 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)[N@@H+](C)C1 ZINC000329070722 277346580 /nfs/dbraw/zinc/34/65/80/277346580.db2.gz YPOVLLGKEILQOB-VLJOUNFMSA-N 1 1 268.357 -0.065 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000170913119 278179018 /nfs/dbraw/zinc/17/90/18/278179018.db2.gz UYPWOLAQOWEQCO-JTQLQIEISA-N 1 1 263.363 -0.735 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(C)C1=O ZINC000262250061 278517614 /nfs/dbraw/zinc/51/76/14/278517614.db2.gz LNGWTUQYFMVYIT-BBBLOLIVSA-N 1 1 255.318 -0.900 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000262371485 278517674 /nfs/dbraw/zinc/51/76/74/278517674.db2.gz WFKATUCJIWNPMS-WEDXCCLWSA-N 1 1 282.262 -0.111 10 0 CBAEMO C[C@H](C(=O)NC1(c2nn[nH]n2)CCCC1)C1C[NH2+]C1 ZINC000262324745 279219659 /nfs/dbraw/zinc/21/96/59/279219659.db2.gz DDNHDAALQZAOFE-QMMMGPOBSA-N 1 1 264.333 -0.059 10 0 CBAEMO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)CN ZINC000092629871 279297245 /nfs/dbraw/zinc/29/72/45/279297245.db2.gz JEWCMDKCUBZGHN-SNVBAGLBSA-N 1 1 256.350 -0.996 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)CN ZINC000092629871 279297246 /nfs/dbraw/zinc/29/72/46/279297246.db2.gz JEWCMDKCUBZGHN-SNVBAGLBSA-N 1 1 256.350 -0.996 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000262293371 280057692 /nfs/dbraw/zinc/05/76/92/280057692.db2.gz OXEZTABMJNTPCX-UPJWGTAASA-N 1 1 293.371 -0.106 10 0 CBAEMO CC[C@H]1CN(C(=O)CC[NH2+]C)CCN1C[C@@H](C)O ZINC000262336116 281131445 /nfs/dbraw/zinc/13/14/45/281131445.db2.gz HGRUBNLQNBOTKA-NEPJUHHUSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC(N)=O ZINC000175042017 281194243 /nfs/dbraw/zinc/19/42/43/281194243.db2.gz JVEICCYFRHMDSK-VHSXEESVSA-N 1 1 254.334 -0.260 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)CN1CCOCC1 ZINC000247204226 288314019 /nfs/dbraw/zinc/31/40/19/288314019.db2.gz LTTHPTQGLCAZMS-QLFBSQMISA-N 1 1 283.416 -0.152 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000248615184 290099700 /nfs/dbraw/zinc/09/97/00/290099700.db2.gz LUOIDGPQBRJRCI-GRYCIOLGSA-N 1 1 298.387 -0.686 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CCN2CCCCC2)C1 ZINC000225481915 295140451 /nfs/dbraw/zinc/14/04/51/295140451.db2.gz GUYNLDCVNYOVRM-CYBMUJFWSA-N 1 1 255.362 -0.216 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCN2CCCCC2)C1 ZINC000225481915 295140452 /nfs/dbraw/zinc/14/04/52/295140452.db2.gz GUYNLDCVNYOVRM-CYBMUJFWSA-N 1 1 255.362 -0.216 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNC(N)=O ZINC000113445012 300312526 /nfs/dbraw/zinc/31/25/26/300312526.db2.gz FSQOAISEQMTFOC-VHSXEESVSA-N 1 1 254.334 -0.260 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174307135 335152400 /nfs/dbraw/zinc/15/24/00/335152400.db2.gz OMBCJGVUGMCSMM-CHWSQXEVSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174307135 335152401 /nfs/dbraw/zinc/15/24/01/335152401.db2.gz OMBCJGVUGMCSMM-CHWSQXEVSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174307147 335152404 /nfs/dbraw/zinc/15/24/04/335152404.db2.gz OMBCJGVUGMCSMM-QWHCGFSZSA-N 1 1 288.388 -0.047 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174307147 335152405 /nfs/dbraw/zinc/15/24/05/335152405.db2.gz OMBCJGVUGMCSMM-QWHCGFSZSA-N 1 1 288.388 -0.047 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC000176987827 335352137 /nfs/dbraw/zinc/35/21/37/335352137.db2.gz XBBVVYYEWBSSOA-NSHDSACASA-N 1 1 291.417 -0.132 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000177036371 335355191 /nfs/dbraw/zinc/35/51/91/335355191.db2.gz KVRRMEDTLXEDJG-GHMZBOCLSA-N 1 1 291.417 -0.133 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384986570 336135573 /nfs/dbraw/zinc/13/55/73/336135573.db2.gz ZUTXIFRPIPZKJH-RYUDHWBXSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000384986570 336135574 /nfs/dbraw/zinc/13/55/74/336135574.db2.gz ZUTXIFRPIPZKJH-RYUDHWBXSA-N 1 1 285.388 -0.184 10 0 CBAEMO CC[NH+](CC)CCNCCn1ccn(C)c(=O)c1=O ZINC000061797404 520687250 /nfs/dbraw/zinc/68/72/50/520687250.db2.gz QQLWSYRXHOWWGD-UHFFFAOYSA-N 1 1 268.361 -0.522 10 0 CBAEMO CCOC(=O)[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000049373088 521022959 /nfs/dbraw/zinc/02/29/59/521022959.db2.gz ARMBKZLXBKGQRK-MNOVXSKESA-N 1 1 260.334 -0.779 10 0 CBAEMO CN(C)C[C@H]1CCCN1S(=O)(=O)N(C)CCC[NH3+] ZINC000061644256 521872337 /nfs/dbraw/zinc/87/23/37/521872337.db2.gz PYWVNCNGTRKYKZ-LLVKDONJSA-N 1 1 278.422 -0.462 10 0 CBAEMO CN(CC(=O)N1CCCC1)CC1(O)CC[NH2+]CC1 ZINC000051016069 522432315 /nfs/dbraw/zinc/43/23/15/522432315.db2.gz QFABZBITBMSQRQ-UHFFFAOYSA-N 1 1 255.362 -0.345 10 0 CBAEMO CN(CCC(N)=S)C(=O)CC[N@H+]1CC[C@@H](O)C1 ZINC000061710470 522699336 /nfs/dbraw/zinc/69/93/36/522699336.db2.gz VWIWQGGQXUYOSG-SECBINFHSA-N 1 1 259.375 -0.422 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)c1cccc(NN)n1 ZINC000061401292 523599569 /nfs/dbraw/zinc/59/95/69/523599569.db2.gz KLYSXWHNOOIDDH-UHFFFAOYSA-N 1 1 267.333 -0.325 10 0 CBAEMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050669549 523816522 /nfs/dbraw/zinc/81/65/22/523816522.db2.gz LRMJAIJYQNSQAL-MRVPVSSYSA-N 1 1 271.346 -0.569 10 0 CBAEMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050669549 523816528 /nfs/dbraw/zinc/81/65/28/523816528.db2.gz LRMJAIJYQNSQAL-MRVPVSSYSA-N 1 1 271.346 -0.569 10 0 CBAEMO C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CC(=O)[O-])CC2)C1 ZINC000061125795 523956175 /nfs/dbraw/zinc/95/61/75/523956175.db2.gz GRFYNMGBFLESNE-LLVKDONJSA-N 1 1 269.345 -0.443 10 0 CBAEMO C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CC(=O)[O-])CC2)C1 ZINC000061125795 523956177 /nfs/dbraw/zinc/95/61/77/523956177.db2.gz GRFYNMGBFLESNE-LLVKDONJSA-N 1 1 269.345 -0.443 10 0 CBAEMO C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)C1 ZINC000061125795 523956178 /nfs/dbraw/zinc/95/61/78/523956178.db2.gz GRFYNMGBFLESNE-LLVKDONJSA-N 1 1 269.345 -0.443 10 0 CBAEMO CN1CC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631373 523968094 /nfs/dbraw/zinc/96/80/94/523968094.db2.gz UICQDJOXYBGSMT-MNOVXSKESA-N 1 1 261.391 -0.248 10 0 CBAEMO C[NH+](C)CC1CCN([C@H]2CS(=O)(=O)C[C@@H]2N)CC1 ZINC000054493297 524050517 /nfs/dbraw/zinc/05/05/17/524050517.db2.gz GITQCTYXXZHPJM-RYUDHWBXSA-N 1 1 275.418 -0.616 10 0 CBAEMO C[C@@H](C[NH3+])CN1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000062775078 524581287 /nfs/dbraw/zinc/58/12/87/524581287.db2.gz BTGYEKBHOYTVFY-JTQLQIEISA-N 1 1 251.334 -0.238 10 0 CBAEMO C[C@H](Cc1ccsc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000049185115 524759594 /nfs/dbraw/zinc/75/95/94/524759594.db2.gz UUKTVCQUPNYDCU-APPZFPTMSA-N 1 1 255.343 -0.002 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000049547703 526907514 /nfs/dbraw/zinc/90/75/14/526907514.db2.gz NWNRQZYSIXDLBG-YFKPBYRVSA-N 1 1 254.315 -0.227 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000123961537 582119639 /nfs/dbraw/zinc/11/96/39/582119639.db2.gz HVHJWMJSPIIGPR-RKDXNWHRSA-N 1 1 268.317 -0.095 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000123961537 582119640 /nfs/dbraw/zinc/11/96/40/582119640.db2.gz HVHJWMJSPIIGPR-RKDXNWHRSA-N 1 1 268.317 -0.095 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136209825 582125781 /nfs/dbraw/zinc/12/57/81/582125781.db2.gz MJSYIDZDFVPTFA-OCCSQVGLSA-N 1 1 268.405 -0.119 10 0 CBAEMO CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000731834901 582154206 /nfs/dbraw/zinc/15/42/06/582154206.db2.gz HMZYLCBAUMXDRZ-SECBINFHSA-N 1 1 263.363 -0.864 10 0 CBAEMO CCNS(=O)(=O)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000731834901 582154207 /nfs/dbraw/zinc/15/42/07/582154207.db2.gz HMZYLCBAUMXDRZ-SECBINFHSA-N 1 1 263.363 -0.864 10 0 CBAEMO O=S1(=O)CC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757138828 582305095 /nfs/dbraw/zinc/30/50/95/582305095.db2.gz DLZACENJKUIDJB-LLVKDONJSA-N 1 1 261.343 -0.082 10 0 CBAEMO COC(=O)CC[C@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757197685 582305312 /nfs/dbraw/zinc/30/53/12/582305312.db2.gz AJYSTWKPWRBPJC-QMMMGPOBSA-N 1 1 270.289 -0.141 10 0 CBAEMO C[N@H+]1CCC[C@@]2(CC(=O)O[C@H]2CS(N)(=O)=O)CC1 ZINC000757217233 582305339 /nfs/dbraw/zinc/30/53/39/582305339.db2.gz JBVRAFNPXFNLCZ-ONGXEEELSA-N 1 1 276.358 -0.308 10 0 CBAEMO CC[C@@H](C(=O)N1CCC[C@](O)(c2c[nH]nn2)C1)[NH+](C)C ZINC000794121013 582403026 /nfs/dbraw/zinc/40/30/26/582403026.db2.gz SZVSYLMJCFWGGC-GXFFZTMASA-N 1 1 281.360 -0.045 10 0 CBAEMO CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NCc2nnn(C)n2)C1 ZINC000886082557 584430705 /nfs/dbraw/zinc/43/07/05/584430705.db2.gz OPOGIKPYLURPHP-TUAOUCFPSA-N 1 1 280.376 -0.059 10 0 CBAEMO COc1ccc(CCNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000037622906 656002104 /nfs/dbraw/zinc/00/21/04/656002104.db2.gz SFUFBLDOGLIEMS-LLVKDONJSA-N 1 1 265.313 -0.443 10 0 CBAEMO COc1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000037622934 656002121 /nfs/dbraw/zinc/00/21/21/656002121.db2.gz SOWKOHADYWQWCB-SNVBAGLBSA-N 1 1 251.286 -0.486 10 0 CBAEMO CCCNC(=O)c1cccc(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037627079 656003186 /nfs/dbraw/zinc/00/31/86/656003186.db2.gz LTIHWELNHIZSTI-LLVKDONJSA-N 1 1 292.339 -0.032 10 0 CBAEMO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC(N)=O)ccc1F ZINC000037628877 656003482 /nfs/dbraw/zinc/00/34/82/656003482.db2.gz AVQMDRXNXNFTRI-SECBINFHSA-N 1 1 283.259 -0.247 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000037627295 656003503 /nfs/dbraw/zinc/00/35/03/656003503.db2.gz DJXZDVXHFUTFQT-LLVKDONJSA-N 1 1 290.323 -0.045 10 0 CBAEMO Cn1nc2c(cc1=O)C[N@H+](CCN1CCCC1=O)CC2 ZINC000078622808 656047448 /nfs/dbraw/zinc/04/74/48/656047448.db2.gz FOJWAWKHMRCURX-UHFFFAOYSA-N 1 1 276.340 -0.239 10 0 CBAEMO CCc1[nH+]ccn1CCC(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)[O-] ZINC000082120461 656050981 /nfs/dbraw/zinc/05/09/81/656050981.db2.gz VPDZANVBWWXFOK-UWVGGRQHSA-N 1 1 280.328 -0.152 10 0 CBAEMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccco1 ZINC000089312190 656053840 /nfs/dbraw/zinc/05/38/40/656053840.db2.gz BQBAFYREROTIMB-IUCAKERBSA-N 1 1 266.301 -0.320 10 0 CBAEMO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996505 656061588 /nfs/dbraw/zinc/06/15/88/656061588.db2.gz OWYPIIBMSTXWAG-BDAKNGLRSA-N 1 1 271.317 -0.427 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000094996397 656061705 /nfs/dbraw/zinc/06/17/05/656061705.db2.gz QBHPAERQKSRFEB-SCZZXKLOSA-N 1 1 283.328 -0.285 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000095015419 656063007 /nfs/dbraw/zinc/06/30/07/656063007.db2.gz MNOHAQBYGTZCBJ-QWRGUYRKSA-N 1 1 272.345 -0.120 10 0 CBAEMO CN(C)[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111236370 656065422 /nfs/dbraw/zinc/06/54/22/656065422.db2.gz ADKGMSQEAOSFAD-GFCCVEGCSA-N 1 1 275.418 -0.048 10 0 CBAEMO CN(C)[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111236372 656065556 /nfs/dbraw/zinc/06/55/56/656065556.db2.gz ADKGMSQEAOSFAD-LBPRGKRZSA-N 1 1 275.418 -0.048 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC000171569464 656083636 /nfs/dbraw/zinc/08/36/36/656083636.db2.gz KTTPYLMAXRLUPP-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC000171569464 656083639 /nfs/dbraw/zinc/08/36/39/656083639.db2.gz KTTPYLMAXRLUPP-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@@H]1N1CCOCC1 ZINC000177231451 656087462 /nfs/dbraw/zinc/08/74/62/656087462.db2.gz PRXMSQUSSQKVCX-UTUOFQBUSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@@H]1N1CCOCC1 ZINC000177231451 656087467 /nfs/dbraw/zinc/08/74/67/656087467.db2.gz PRXMSQUSSQKVCX-UTUOFQBUSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1CN([C@@H]2CCOC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000177231451 656087471 /nfs/dbraw/zinc/08/74/71/656087471.db2.gz PRXMSQUSSQKVCX-UTUOFQBUSA-N 1 1 254.330 -0.046 10 0 CBAEMO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000227805465 656109180 /nfs/dbraw/zinc/10/91/80/656109180.db2.gz ACAGWPVEZSYSSQ-YIZRAAEISA-N 1 1 259.375 -0.021 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC000247057735 656118968 /nfs/dbraw/zinc/11/89/68/656118968.db2.gz FQTXSNOXYNFAFN-RDBSUJKOSA-N 1 1 299.415 -0.379 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000247057696 656119365 /nfs/dbraw/zinc/11/93/65/656119365.db2.gz FQTXSNOXYNFAFN-IHRRRGAJSA-N 1 1 299.415 -0.379 10 0 CBAEMO COC(=O)c1cn(CN2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000247178415 656119719 /nfs/dbraw/zinc/11/97/19/656119719.db2.gz UNKQAQKYVBYVCW-JTQLQIEISA-N 1 1 265.317 -0.198 10 0 CBAEMO C[NH2+][C@H](C)CNS(=O)(=O)c1scnc1C(=O)OC ZINC000261615551 656125456 /nfs/dbraw/zinc/12/54/56/656125456.db2.gz AWDXJMGMDVQBMK-ZCFIWIBFSA-N 1 1 293.370 -0.184 10 0 CBAEMO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261839471 656127387 /nfs/dbraw/zinc/12/73/87/656127387.db2.gz AFYCGZYTJFMCHJ-FOGDFJRCSA-N 1 1 269.345 -0.510 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000261939778 656128030 /nfs/dbraw/zinc/12/80/30/656128030.db2.gz MQJKYKCVXRBKMB-QYNIQEEDSA-N 1 1 256.224 -0.597 10 0 CBAEMO O=C(N1CC[N@H+]2CCC[C@H]2C1)C1(O)CCOCC1 ZINC000330019551 656149806 /nfs/dbraw/zinc/14/98/06/656149806.db2.gz VGDOOHJVHDIECK-NSHDSACASA-N 1 1 254.330 -0.166 10 0 CBAEMO COC(=O)N1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000701905784 656179643 /nfs/dbraw/zinc/17/96/43/656179643.db2.gz WZGMWWGZFXVIMA-JTQLQIEISA-N 1 1 271.317 -0.678 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705390361 656186035 /nfs/dbraw/zinc/18/60/35/656186035.db2.gz YHFMHCDAUIZFIY-XQQFMLRXSA-N 1 1 261.362 -0.303 10 0 CBAEMO C[C@]1(C(F)(F)F)CCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000709632200 656195890 /nfs/dbraw/zinc/19/58/90/656195890.db2.gz UDPOZFNOWKNVSR-MUWHJKNJSA-N 1 1 267.251 -0.010 10 0 CBAEMO C[N@H+]1CCN(C(=O)[C@@H]2COCCN2)CCC1(C)C ZINC000712672326 656211404 /nfs/dbraw/zinc/21/14/04/656211404.db2.gz VGTXQPPRVQIFAJ-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900709574 656310420 /nfs/dbraw/zinc/31/04/20/656310420.db2.gz NBYULSXUESTFQK-IJLUTSLNSA-N 1 1 281.356 -0.461 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)C1 ZINC000909172135 656790847 /nfs/dbraw/zinc/79/08/47/656790847.db2.gz QSFQGSOADRJPLM-MROQNXINSA-N 1 1 294.355 -0.606 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)C1 ZINC000909172135 656790867 /nfs/dbraw/zinc/79/08/67/656790867.db2.gz QSFQGSOADRJPLM-MROQNXINSA-N 1 1 294.355 -0.606 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)C1 ZINC000909172133 656791386 /nfs/dbraw/zinc/79/13/86/656791386.db2.gz QSFQGSOADRJPLM-FVCCEPFGSA-N 1 1 294.355 -0.606 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)C1 ZINC000909172133 656791392 /nfs/dbraw/zinc/79/13/92/656791392.db2.gz QSFQGSOADRJPLM-FVCCEPFGSA-N 1 1 294.355 -0.606 10 0 CBAEMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909186548 656794364 /nfs/dbraw/zinc/79/43/64/656794364.db2.gz INISXFIEOQKGKZ-NTZNESFSSA-N 1 1 275.312 -0.121 10 0 CBAEMO NC(=O)CCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000911418802 657037758 /nfs/dbraw/zinc/03/77/58/657037758.db2.gz UKHCWWCDUJMGOB-MXWKQRLJSA-N 1 1 269.345 -0.644 10 0 CBAEMO C[C@H](C(=O)N1CCOC[C@H]1CO)[NH+]1CCSCC1 ZINC000912419088 657256457 /nfs/dbraw/zinc/25/64/57/657256457.db2.gz ROVUUSZEDDFPGO-GHMZBOCLSA-N 1 1 274.386 -0.357 10 0 CBAEMO CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nn[nH]n1 ZINC000912616913 657299235 /nfs/dbraw/zinc/29/92/35/657299235.db2.gz PLVUBAFIKKNMNK-HTQZYQBOSA-N 1 1 252.278 -0.974 10 0 CBAEMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1nn[nH]n1 ZINC000912616913 657299264 /nfs/dbraw/zinc/29/92/64/657299264.db2.gz PLVUBAFIKKNMNK-HTQZYQBOSA-N 1 1 252.278 -0.974 10 0 CBAEMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028464 657369253 /nfs/dbraw/zinc/36/92/53/657369253.db2.gz YEHNBXXMOADPAJ-CABZTGNLSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028464 657369258 /nfs/dbraw/zinc/36/92/58/657369258.db2.gz YEHNBXXMOADPAJ-CABZTGNLSA-N 1 1 294.355 -0.271 10 0 CBAEMO CC[C@H](CO)[N@H+]1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000930431262 659287590 /nfs/dbraw/zinc/28/75/90/659287590.db2.gz FKYDCEVQEGUSLL-UPJWGTAASA-N 1 1 280.372 -0.048 10 0 CBAEMO Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)CC2 ZINC000261946517 282114049 /nfs/dbraw/zinc/11/40/49/282114049.db2.gz NOGXEYQUGXOIGX-QRTLGDNMSA-N 1 1 279.344 -0.606 10 0 CBAEMO CCC[N@@H+]1CCc2n[nH]c(C(=O)N3CCNC(=O)C3)c2C1 ZINC000096066633 185083800 /nfs/dbraw/zinc/08/38/00/185083800.db2.gz WGTFDSFWIHFTAK-UHFFFAOYSA-N 1 1 291.355 -0.250 10 0 CBAEMO CCC[N@H+]1CCc2n[nH]c(C(=O)N3CCNC(=O)C3)c2C1 ZINC000096066633 185083802 /nfs/dbraw/zinc/08/38/02/185083802.db2.gz WGTFDSFWIHFTAK-UHFFFAOYSA-N 1 1 291.355 -0.250 10 0 CBAEMO C[N@H+]1CCCN(CC(=O)N2CCc3[nH]cnc3C2)CC1 ZINC000096139424 185105922 /nfs/dbraw/zinc/10/59/22/185105922.db2.gz QMIZUKUQSJSPKQ-UHFFFAOYSA-N 1 1 277.372 -0.068 10 0 CBAEMO C[N@@H+]1CCCN(CC(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000096139424 185105923 /nfs/dbraw/zinc/10/59/23/185105923.db2.gz QMIZUKUQSJSPKQ-UHFFFAOYSA-N 1 1 277.372 -0.068 10 0 CBAEMO C[N@H+]1CCCN(CC(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000096139424 185105924 /nfs/dbraw/zinc/10/59/24/185105924.db2.gz QMIZUKUQSJSPKQ-UHFFFAOYSA-N 1 1 277.372 -0.068 10 0 CBAEMO CN(CC(=O)N[C@@H]1CC[NH2+]C1)c1ncnc2[nH]cnc21 ZINC000127807769 187334732 /nfs/dbraw/zinc/33/47/32/187334732.db2.gz JUQOSSNVVVTIBV-MRVPVSSYSA-N 1 1 275.316 -0.733 10 0 CBAEMO C[C@@H](C[NH3+])N1CCN(CCCC(=O)N(C)C)CC1 ZINC000104061227 185888853 /nfs/dbraw/zinc/88/88/53/185888853.db2.gz BVDDOBKYFFKJDV-LBPRGKRZSA-N 1 1 256.394 -0.180 10 0 CBAEMO CNC(=O)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088371581 179585860 /nfs/dbraw/zinc/58/58/60/179585860.db2.gz XGOGIEOBVNUPLS-GFCCVEGCSA-N 1 1 277.324 -0.349 10 0 CBAEMO Cc1ncsc1CN(C)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000104449335 186005732 /nfs/dbraw/zinc/00/57/32/186005732.db2.gz QGEPALWFOOBCFQ-ZETCQYMHSA-N 1 1 256.331 -0.387 10 0 CBAEMO Cc1c[nH]c(CN(C)C(=O)C2CC[NH+](CC(N)=O)CC2)n1 ZINC000091665575 180221120 /nfs/dbraw/zinc/22/11/20/180221120.db2.gz PTEIZAXIJQSIIB-UHFFFAOYSA-N 1 1 293.371 -0.126 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352092258 219316808 /nfs/dbraw/zinc/31/68/08/219316808.db2.gz JZDLFNUDCJIYEN-RWMBFGLXSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352092258 219316810 /nfs/dbraw/zinc/31/68/10/219316810.db2.gz JZDLFNUDCJIYEN-RWMBFGLXSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352092258 219316811 /nfs/dbraw/zinc/31/68/11/219316811.db2.gz JZDLFNUDCJIYEN-RWMBFGLXSA-N 1 1 258.362 -0.477 10 0 CBAEMO CNC(=O)NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804504 186072455 /nfs/dbraw/zinc/07/24/55/186072455.db2.gz CWHVQCPWJWSGOO-UHFFFAOYSA-N 1 1 292.343 -0.192 10 0 CBAEMO CC[C@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1C[C@@H](C)O ZINC000105825942 186073885 /nfs/dbraw/zinc/07/38/85/186073885.db2.gz HLXYYJLQFPPKMH-ZJUUUORDSA-N 1 1 295.391 -0.687 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000105831960 186077072 /nfs/dbraw/zinc/07/70/72/186077072.db2.gz BWJROCFCYCEGNE-ZDUSSCGKSA-N 1 1 285.388 -0.502 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000105831960 186077074 /nfs/dbraw/zinc/07/70/74/186077074.db2.gz BWJROCFCYCEGNE-ZDUSSCGKSA-N 1 1 285.388 -0.502 10 0 CBAEMO NC(=O)[C@H](Cc1ccccc1)[NH+](CCO)CCO ZINC000002043813 351307143 /nfs/dbraw/zinc/30/71/43/351307143.db2.gz SALRNDTWOMKZLW-LBPRGKRZSA-N 1 1 252.314 -0.630 10 0 CBAEMO C[C@@H]1C[C@H]([NH3+])c2cc(S(N)(=O)=O)sc2S1(=O)=O ZINC000006930820 351325045 /nfs/dbraw/zinc/32/50/45/351325045.db2.gz HVURBRAECUMAHY-XINAWCOVSA-N 1 1 296.395 -0.039 10 0 CBAEMO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034937542 351386458 /nfs/dbraw/zinc/38/64/58/351386458.db2.gz DHQBGEWLGYLHOQ-UWVGGRQHSA-N 1 1 262.375 -0.076 10 0 CBAEMO Nc1ncn(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000040326428 351414135 /nfs/dbraw/zinc/41/41/35/351414135.db2.gz PVHNBTRYAOUHHE-VIFPVBQESA-N 1 1 250.306 -0.833 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(N)n2)C1 ZINC000040501723 351416125 /nfs/dbraw/zinc/41/61/25/351416125.db2.gz NWQJZZDBKNCWTF-VIFPVBQESA-N 1 1 252.322 -0.539 10 0 CBAEMO CN1N=C(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1=O ZINC000049515966 351495197 /nfs/dbraw/zinc/49/51/97/351495197.db2.gz GFGWIACVPRFWLW-JTQLQIEISA-N 1 1 264.329 -0.099 10 0 CBAEMO CCN1CCC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000049230854 351488983 /nfs/dbraw/zinc/48/89/83/351488983.db2.gz SEJKJOLEIPQPOK-GFCCVEGCSA-N 1 1 282.388 -0.591 10 0 CBAEMO CCn1cc([C@H]2NC(CO)(CO)[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000065407208 351590119 /nfs/dbraw/zinc/59/01/19/351590119.db2.gz WMPXRJQFLHDKCN-FRRDWIJNSA-N 1 1 280.372 -0.552 10 0 CBAEMO CCn1cc([C@H]2NC(CO)(CO)[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000065407208 351590122 /nfs/dbraw/zinc/59/01/22/351590122.db2.gz WMPXRJQFLHDKCN-FRRDWIJNSA-N 1 1 280.372 -0.552 10 0 CBAEMO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000068807550 351622431 /nfs/dbraw/zinc/62/24/31/351622431.db2.gz WIRPZXDQENXCSF-IJLUTSLNSA-N 1 1 254.378 -0.796 10 0 CBAEMO Cn1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000092616195 351751120 /nfs/dbraw/zinc/75/11/20/351751120.db2.gz XQYURKXOUYMQGN-CYBMUJFWSA-N 1 1 292.383 -0.246 10 0 CBAEMO Cn1cc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000092616195 351751121 /nfs/dbraw/zinc/75/11/21/351751121.db2.gz XQYURKXOUYMQGN-CYBMUJFWSA-N 1 1 292.383 -0.246 10 0 CBAEMO Cn1cc(C[N@H+]2CCN3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000092616195 351751123 /nfs/dbraw/zinc/75/11/23/351751123.db2.gz XQYURKXOUYMQGN-CYBMUJFWSA-N 1 1 292.383 -0.246 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000105914001 351792639 /nfs/dbraw/zinc/79/26/39/351792639.db2.gz CVJBASXLPDKYSB-KGLIPLIRSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000105914001 351792642 /nfs/dbraw/zinc/79/26/42/351792642.db2.gz CVJBASXLPDKYSB-KGLIPLIRSA-N 1 1 299.415 -0.066 10 0 CBAEMO CCOC(=O)COCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000094805445 351765864 /nfs/dbraw/zinc/76/58/64/351765864.db2.gz SPARQRFVHMNRAH-ZDUSSCGKSA-N 1 1 286.372 -0.027 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)cn1 ZINC000116407955 351822332 /nfs/dbraw/zinc/82/23/32/351822332.db2.gz YIUCOJZVKPUKMW-DZGCQCFKSA-N 1 1 294.399 -0.098 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000117284925 351825816 /nfs/dbraw/zinc/82/58/16/351825816.db2.gz UBUFPQXDVULEJD-LLVKDONJSA-N 1 1 296.371 -0.226 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000117284925 351825817 /nfs/dbraw/zinc/82/58/17/351825817.db2.gz UBUFPQXDVULEJD-LLVKDONJSA-N 1 1 296.371 -0.226 10 0 CBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(N)=O)CC2)C1 ZINC000117467803 351826561 /nfs/dbraw/zinc/82/65/61/351826561.db2.gz PTPQXKULNVJPRN-GFCCVEGCSA-N 1 1 270.377 -0.208 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC000117424399 351826857 /nfs/dbraw/zinc/82/68/57/351826857.db2.gz WOLZURAWNIRKHE-NSHDSACASA-N 1 1 271.361 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC000117424399 351826859 /nfs/dbraw/zinc/82/68/59/351826859.db2.gz WOLZURAWNIRKHE-NSHDSACASA-N 1 1 271.361 -0.308 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCC(N)=O ZINC000113459001 351814037 /nfs/dbraw/zinc/81/40/37/351814037.db2.gz YIMOARLGFDUIFJ-NXEZZACHSA-N 1 1 271.386 -0.100 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000120995276 351845421 /nfs/dbraw/zinc/84/54/21/351845421.db2.gz SBUHYKJTCYJQSW-CQSZACIVSA-N 1 1 298.431 -0.587 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000120995276 351845425 /nfs/dbraw/zinc/84/54/25/351845425.db2.gz SBUHYKJTCYJQSW-CQSZACIVSA-N 1 1 298.431 -0.587 10 0 CBAEMO CC[N@@H+](CC(=O)NC[C@@H]1CN(C)CCO1)C1CC1 ZINC000151850848 351936482 /nfs/dbraw/zinc/93/64/82/351936482.db2.gz GOPDJBJYUCKXPD-GFCCVEGCSA-N 1 1 255.362 -0.083 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000133754905 351900930 /nfs/dbraw/zinc/90/09/30/351900930.db2.gz CCKQSSUVROULGQ-VXGBXAGGSA-N 1 1 298.387 -0.685 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC000134352501 351905635 /nfs/dbraw/zinc/90/56/35/351905635.db2.gz SMNQAOBRZUVNKC-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC000134352501 351905637 /nfs/dbraw/zinc/90/56/37/351905637.db2.gz SMNQAOBRZUVNKC-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)CNCC(F)(F)F)C1 ZINC000134693011 351907678 /nfs/dbraw/zinc/90/76/78/351907678.db2.gz WEYHIZQONAJHEY-VIFPVBQESA-N 1 1 283.294 -0.025 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)CNCC(F)(F)F)C1 ZINC000134693011 351907682 /nfs/dbraw/zinc/90/76/82/351907682.db2.gz WEYHIZQONAJHEY-VIFPVBQESA-N 1 1 283.294 -0.025 10 0 CBAEMO O=C(CCNC(=O)[C@H]1COCC[NH2+]1)N1CCCCC1 ZINC000135255148 351912939 /nfs/dbraw/zinc/91/29/39/351912939.db2.gz HZPJKRSDTOVGKI-LLVKDONJSA-N 1 1 269.345 -0.506 10 0 CBAEMO O=C1CNC(=O)N1CCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171638520 352014378 /nfs/dbraw/zinc/01/43/78/352014378.db2.gz NDDCHWQEVIKKCG-LLVKDONJSA-N 1 1 266.345 -0.292 10 0 CBAEMO C[C@@](O)(C[NH+]1CCN(CC(N)=O)CC1)c1ccccc1 ZINC000171646926 352014458 /nfs/dbraw/zinc/01/44/58/352014458.db2.gz VNOOYNLQKVMZEQ-OAHLLOKOSA-N 1 1 277.368 -0.003 10 0 CBAEMO COC[C@H](N)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159354923 351962340 /nfs/dbraw/zinc/96/23/40/351962340.db2.gz CGMCTPKETHSPQI-ZDUSSCGKSA-N 1 1 285.388 -0.469 10 0 CBAEMO COCCN1CCN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@H]1C ZINC000168033428 351991286 /nfs/dbraw/zinc/99/12/86/351991286.db2.gz RYENBUVIQZJSPX-QWRGUYRKSA-N 1 1 273.402 -0.172 10 0 CBAEMO O[C@H](Cn1cccn1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000171633726 352013378 /nfs/dbraw/zinc/01/33/78/352013378.db2.gz CHRZENIRWCLEGP-UONOGXRCSA-N 1 1 291.355 -0.159 10 0 CBAEMO O[C@H](Cn1cccn1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000171633726 352013382 /nfs/dbraw/zinc/01/33/82/352013382.db2.gz CHRZENIRWCLEGP-UONOGXRCSA-N 1 1 291.355 -0.159 10 0 CBAEMO COCCCNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171640612 352014719 /nfs/dbraw/zinc/01/47/19/352014719.db2.gz VEHNADKCZNHZQV-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000173847706 352041826 /nfs/dbraw/zinc/04/18/26/352041826.db2.gz USDOOZJGALXXFM-STQMWFEESA-N 1 1 295.383 -0.212 10 0 CBAEMO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)NCC1CC1 ZINC000173928195 352042060 /nfs/dbraw/zinc/04/20/60/352042060.db2.gz YELFVEIIHVTXBR-CYBMUJFWSA-N 1 1 267.373 -0.081 10 0 CBAEMO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)NCC1CC1 ZINC000173928195 352042065 /nfs/dbraw/zinc/04/20/65/352042065.db2.gz YELFVEIIHVTXBR-CYBMUJFWSA-N 1 1 267.373 -0.081 10 0 CBAEMO COCC[N@H+]1CCN(c2nccn(C)c2=O)C[C@@H]1C ZINC000174734743 352051268 /nfs/dbraw/zinc/05/12/68/352051268.db2.gz OTULRQURWPDKKO-NSHDSACASA-N 1 1 266.345 -0.063 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC000174976501 352053174 /nfs/dbraw/zinc/05/31/74/352053174.db2.gz JJOOZJQCXHFPDM-WDEREUQCSA-N 1 1 294.355 -0.377 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CS(=O)(=O)NC ZINC000175221498 352054686 /nfs/dbraw/zinc/05/46/86/352054686.db2.gz PFRAOVCHCUREEQ-WDEREUQCSA-N 1 1 289.401 -0.379 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175589985 352058243 /nfs/dbraw/zinc/05/82/43/352058243.db2.gz ZHTARTCPZCXZAH-KBPBESRZSA-N 1 1 299.415 -0.208 10 0 CBAEMO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176025031 352062271 /nfs/dbraw/zinc/06/22/71/352062271.db2.gz NWMYUAJMAOHQTI-ZIAGYGMSSA-N 1 1 299.415 -0.208 10 0 CBAEMO CCOCCNC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000175985004 352062395 /nfs/dbraw/zinc/06/23/95/352062395.db2.gz BPRHLDSIZAIVJW-CYBMUJFWSA-N 1 1 285.388 -0.454 10 0 CBAEMO CCOCCNC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000175985004 352062400 /nfs/dbraw/zinc/06/24/00/352062400.db2.gz BPRHLDSIZAIVJW-CYBMUJFWSA-N 1 1 285.388 -0.454 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176779126 352068049 /nfs/dbraw/zinc/06/80/49/352068049.db2.gz UWMRNFKCRFWPJF-GHMZBOCLSA-N 1 1 274.386 -0.026 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176779126 352068054 /nfs/dbraw/zinc/06/80/54/352068054.db2.gz UWMRNFKCRFWPJF-GHMZBOCLSA-N 1 1 274.386 -0.026 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC000177011408 352069811 /nfs/dbraw/zinc/06/98/11/352069811.db2.gz XOIIPZZPQOZYPA-LBPRGKRZSA-N 1 1 298.387 -0.819 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC000177013109 352070130 /nfs/dbraw/zinc/07/01/30/352070130.db2.gz ZFAHPQLKVIWBHL-JTQLQIEISA-N 1 1 294.359 -0.680 10 0 CBAEMO COCC[N@H+]1CCN(Cc2ncnn2C)C[C@@H]1C ZINC000177131027 352070505 /nfs/dbraw/zinc/07/05/05/352070505.db2.gz XSHJCELPRJUMTD-NSHDSACASA-N 1 1 253.350 -0.032 10 0 CBAEMO COCCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177297231 352072466 /nfs/dbraw/zinc/07/24/66/352072466.db2.gz OXYZQPKOBSUNEY-NEPJUHHUSA-N 1 1 271.361 -0.005 10 0 CBAEMO CCc1nnc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)n1C ZINC000177360409 352072612 /nfs/dbraw/zinc/07/26/12/352072612.db2.gz GMCHFJSNYDDLRM-GFCCVEGCSA-N 1 1 297.403 -0.498 10 0 CBAEMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1N1CCOCC1 ZINC000177276549 352073273 /nfs/dbraw/zinc/07/32/73/352073273.db2.gz BSLAFUWNXBVPRA-UPJWGTAASA-N 1 1 267.373 -0.130 10 0 CBAEMO O=C(NC1CN(C[C@H](O)C[NH+]2CCOCC2)C1)C1CCC1 ZINC000185937207 352122693 /nfs/dbraw/zinc/12/26/93/352122693.db2.gz YVVBPJJRZLTCPO-CQSZACIVSA-N 1 1 297.399 -0.720 10 0 CBAEMO O=C(Nc1ccon1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000186128594 352123706 /nfs/dbraw/zinc/12/37/06/352123706.db2.gz YZFXZOGJAPXRML-SECBINFHSA-N 1 1 264.285 -0.080 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000187311176 352137007 /nfs/dbraw/zinc/13/70/07/352137007.db2.gz KGDJKEBPTISOGB-NSHDSACASA-N 1 1 296.375 -0.794 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)CC(=O)NC)C[C@@H]1C ZINC000186630759 352129275 /nfs/dbraw/zinc/12/92/75/352129275.db2.gz QWBDWENMPZSOFM-NSHDSACASA-N 1 1 271.361 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)CC(=O)NC)C[C@@H]1C ZINC000186630759 352129277 /nfs/dbraw/zinc/12/92/77/352129277.db2.gz QWBDWENMPZSOFM-NSHDSACASA-N 1 1 271.361 -0.308 10 0 CBAEMO CCCCC[N@H+](CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000183050274 352107388 /nfs/dbraw/zinc/10/73/88/352107388.db2.gz VESWMYNNJNTXQL-GFCCVEGCSA-N 1 1 285.388 -0.053 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000183433066 352108113 /nfs/dbraw/zinc/10/81/13/352108113.db2.gz ODDHLCXFJPFZNC-ZDUSSCGKSA-N 1 1 280.372 -0.122 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000184002480 352110775 /nfs/dbraw/zinc/11/07/75/352110775.db2.gz MOHLWPHCNSIYSL-UWVGGRQHSA-N 1 1 258.318 -0.774 10 0 CBAEMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000184182873 352112270 /nfs/dbraw/zinc/11/22/70/352112270.db2.gz NFVLWOBRXGRUJN-GFCCVEGCSA-N 1 1 296.415 -0.345 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000185160722 352116632 /nfs/dbraw/zinc/11/66/32/352116632.db2.gz UNGHBXXHRAYTJO-NEPJUHHUSA-N 1 1 268.357 -0.281 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NC(C1CC1)C1CC1 ZINC000185160722 352116633 /nfs/dbraw/zinc/11/66/33/352116633.db2.gz UNGHBXXHRAYTJO-NEPJUHHUSA-N 1 1 268.357 -0.281 10 0 CBAEMO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nnnn1C1CC1 ZINC000190575750 352182552 /nfs/dbraw/zinc/18/25/52/352182552.db2.gz ROOFOOUFUGXCQN-GXSJLCMTSA-N 1 1 266.349 -0.011 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191366048 352188347 /nfs/dbraw/zinc/18/83/47/352188347.db2.gz XKQWSYBAABNUDK-LLVKDONJSA-N 1 1 286.376 -0.515 10 0 CBAEMO O=C(Cn1cnnn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195083756 352221556 /nfs/dbraw/zinc/22/15/56/352221556.db2.gz ALZLYFPPCWLFNN-JTQLQIEISA-N 1 1 250.306 -0.630 10 0 CBAEMO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000195206757 352223420 /nfs/dbraw/zinc/22/34/20/352223420.db2.gz NAAYRLPCCVXYBB-OLZOCXBDSA-N 1 1 288.388 -0.311 10 0 CBAEMO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000195206767 352223833 /nfs/dbraw/zinc/22/38/33/352223833.db2.gz NAAYRLPCCVXYBB-QWHCGFSZSA-N 1 1 288.388 -0.311 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CCO)C1 ZINC000227567443 352258024 /nfs/dbraw/zinc/25/80/24/352258024.db2.gz QHSNHKABSSKAPR-SNVBAGLBSA-N 1 1 257.334 -0.074 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000227568614 352258432 /nfs/dbraw/zinc/25/84/32/352258432.db2.gz FEANBQSWHXRZML-LBPRGKRZSA-N 1 1 285.388 -0.325 10 0 CBAEMO CCOC[C@@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000225859120 352250527 /nfs/dbraw/zinc/25/05/27/352250527.db2.gz REVIDIBFWBZYHI-OLZOCXBDSA-N 1 1 258.362 -0.210 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245429648 352320663 /nfs/dbraw/zinc/32/06/63/352320663.db2.gz KVRRMEDTLXEDJG-QWRGUYRKSA-N 1 1 291.417 -0.133 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000245453178 352320873 /nfs/dbraw/zinc/32/08/73/352320873.db2.gz FIDMJNFTRZEZAD-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC000245453178 352320871 /nfs/dbraw/zinc/32/08/71/352320871.db2.gz FIDMJNFTRZEZAD-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[C@H]1CN(C(=O)CN(C)C)CC[N@H+]1C[C@H](C)O ZINC000248507019 352353843 /nfs/dbraw/zinc/35/38/43/352353843.db2.gz XCZQKOZYAGFJAV-RYUDHWBXSA-N 1 1 257.378 -0.148 10 0 CBAEMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248618222 352354029 /nfs/dbraw/zinc/35/40/29/352354029.db2.gz JVDUPSAQDPUAKG-YNEHKIRRSA-N 1 1 286.372 -0.559 10 0 CBAEMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000248618222 352354031 /nfs/dbraw/zinc/35/40/31/352354031.db2.gz JVDUPSAQDPUAKG-YNEHKIRRSA-N 1 1 286.372 -0.559 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC2)C[C@@H]1C ZINC000248598925 352354063 /nfs/dbraw/zinc/35/40/63/352354063.db2.gz ISNXHYCDINHCNT-SDDRHHMPSA-N 1 1 271.361 -0.128 10 0 CBAEMO Cn1cc(CN2CCC[N@@H+]([C@H]3CCNC3=O)CC2)cn1 ZINC000245698738 352323645 /nfs/dbraw/zinc/32/36/45/352323645.db2.gz TWQOVWAWJCLVGV-ZDUSSCGKSA-N 1 1 277.372 -0.184 10 0 CBAEMO Cn1cc(CN2CCC[N@H+]([C@H]3CCNC3=O)CC2)cn1 ZINC000245698738 352323648 /nfs/dbraw/zinc/32/36/48/352323648.db2.gz TWQOVWAWJCLVGV-ZDUSSCGKSA-N 1 1 277.372 -0.184 10 0 CBAEMO COCCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245862555 352325030 /nfs/dbraw/zinc/32/50/30/352325030.db2.gz PGEWWOPELCMUCR-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO COCCCOCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245862555 352325031 /nfs/dbraw/zinc/32/50/31/352325031.db2.gz PGEWWOPELCMUCR-OLZOCXBDSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000246038634 352327207 /nfs/dbraw/zinc/32/72/07/352327207.db2.gz NKSATWDRIVEHSW-ZJUUUORDSA-N 1 1 282.348 -0.266 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@H]1C ZINC000246038634 352327210 /nfs/dbraw/zinc/32/72/10/352327210.db2.gz NKSATWDRIVEHSW-ZJUUUORDSA-N 1 1 282.348 -0.266 10 0 CBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000246792539 352338826 /nfs/dbraw/zinc/33/88/26/352338826.db2.gz CSPLRZCSAONGHI-WDEREUQCSA-N 1 1 291.417 -0.229 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC000246926415 352339922 /nfs/dbraw/zinc/33/99/22/352339922.db2.gz JJOOZJQCXHFPDM-MNOVXSKESA-N 1 1 294.355 -0.377 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246926897 352340180 /nfs/dbraw/zinc/34/01/80/352340180.db2.gz JHJQPJBSBKXDHQ-CABCVRRESA-N 1 1 299.415 -0.914 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247104699 352342693 /nfs/dbraw/zinc/34/26/93/352342693.db2.gz MTVRNRAPLULADL-MNOVXSKESA-N 1 1 294.417 -0.214 10 0 CBAEMO CCOCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@H]1C ZINC000247050444 352342948 /nfs/dbraw/zinc/34/29/48/352342948.db2.gz FGRXUQIIBOMOSU-SNVBAGLBSA-N 1 1 295.391 -0.421 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC000247205098 352345171 /nfs/dbraw/zinc/34/51/71/352345171.db2.gz UFJPGMTWHCFJLL-CHWSQXEVSA-N 1 1 286.372 -0.029 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC000247205098 352345172 /nfs/dbraw/zinc/34/51/72/352345172.db2.gz UFJPGMTWHCFJLL-CHWSQXEVSA-N 1 1 286.372 -0.029 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000247376359 352346018 /nfs/dbraw/zinc/34/60/18/352346018.db2.gz VJCZLPCRBJEFCG-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000247376359 352346020 /nfs/dbraw/zinc/34/60/20/352346020.db2.gz VJCZLPCRBJEFCG-CQSZACIVSA-N 1 1 299.415 -0.112 10 0 CBAEMO CNC(=O)NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247460284 352347470 /nfs/dbraw/zinc/34/74/70/352347470.db2.gz QTNSNMRDFAJZNV-ZJUUUORDSA-N 1 1 254.334 -0.390 10 0 CBAEMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247594185 352347957 /nfs/dbraw/zinc/34/79/57/352347957.db2.gz RUORNGGDTZTBRS-CHWSQXEVSA-N 1 1 297.399 -0.053 10 0 CBAEMO CCNC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261884002 352399473 /nfs/dbraw/zinc/39/94/73/352399473.db2.gz FRGBJSJBGYMQSM-MNOVXSKESA-N 1 1 284.360 -0.763 10 0 CBAEMO COCC[N@H+]1CCN(Cc2noc(CN)n2)C[C@H]1C ZINC000261893671 352399494 /nfs/dbraw/zinc/39/94/94/352399494.db2.gz AQFFADCYJCLBFT-SNVBAGLBSA-N 1 1 269.349 -0.319 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(=O)NC1CC1 ZINC000261908007 352399759 /nfs/dbraw/zinc/39/97/59/352399759.db2.gz IPQGEIGRGLKQNU-KCJUWKMLSA-N 1 1 255.318 -0.900 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1COCCN1 ZINC000250812094 352374088 /nfs/dbraw/zinc/37/40/88/352374088.db2.gz DLSFCKFVRYKQDW-UTUOFQBUSA-N 1 1 253.346 -0.282 10 0 CBAEMO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000251933898 352376723 /nfs/dbraw/zinc/37/67/23/352376723.db2.gz YYRQCWUMOAXGCK-KGLIPLIRSA-N 1 1 280.416 -0.023 10 0 CBAEMO O=C(C[N@@H+]1CC[C@H](CCO)C1)NC[C@H]1CCCO1 ZINC000252895775 352380631 /nfs/dbraw/zinc/38/06/31/352380631.db2.gz ZUVCAFXPLJMUFY-VXGBXAGGSA-N 1 1 256.346 -0.014 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000253079376 352381831 /nfs/dbraw/zinc/38/18/31/352381831.db2.gz UNPAPLGKYUBCJM-QWRGUYRKSA-N 1 1 269.345 -0.427 10 0 CBAEMO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000261934760 352400474 /nfs/dbraw/zinc/40/04/74/352400474.db2.gz MCPXFZFODHYOOK-YFVNTRNASA-N 1 1 281.356 -0.511 10 0 CBAEMO CC1(C)NC(=O)N(CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000261679334 352392966 /nfs/dbraw/zinc/39/29/66/352392966.db2.gz GPSMKDRDFFWIDW-AXFHLTTASA-N 1 1 280.372 -0.014 10 0 CBAEMO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261867513 352398669 /nfs/dbraw/zinc/39/86/69/352398669.db2.gz CVPXGZRJRVPQFW-DBIOUOCHSA-N 1 1 271.361 -0.217 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000261868992 352398854 /nfs/dbraw/zinc/39/88/54/352398854.db2.gz CYCITCUDOUBDEE-SCVCMEIPSA-N 1 1 269.345 -0.523 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2NCCO[C@@H]2C)C1 ZINC000262205996 352409831 /nfs/dbraw/zinc/40/98/31/352409831.db2.gz IMMRWXJQHFCREM-WOPDTQHZSA-N 1 1 255.362 -0.036 10 0 CBAEMO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)COC)C1 ZINC000262228672 352411378 /nfs/dbraw/zinc/41/13/78/352411378.db2.gz GNICPVNKTMYVQU-STQMWFEESA-N 1 1 287.404 -0.081 10 0 CBAEMO CCC(=O)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262250119 352412146 /nfs/dbraw/zinc/41/21/46/352412146.db2.gz LNXQPVATPMMOLK-FOGDFJRCSA-N 1 1 269.345 -0.510 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000262251958 352412199 /nfs/dbraw/zinc/41/21/99/352412199.db2.gz LPBMIQHQHLBIQN-MQYQWHSLSA-N 1 1 299.415 -0.333 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000262293369 352414682 /nfs/dbraw/zinc/41/46/82/352414682.db2.gz OXEZTABMJNTPCX-AGIUHOORSA-N 1 1 293.371 -0.106 10 0 CBAEMO C[C@@H]1COCCN1CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262350166 352417863 /nfs/dbraw/zinc/41/78/63/352417863.db2.gz UJPFONRYSOIFJL-UTUOFQBUSA-N 1 1 271.361 -0.800 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000262397123 352420000 /nfs/dbraw/zinc/42/00/00/352420000.db2.gz YHZQVZBMAOCEPE-SKDRFNHKSA-N 1 1 278.312 -0.487 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262411993 352421060 /nfs/dbraw/zinc/42/10/60/352421060.db2.gz ZGYGZQXKNOKBMJ-MNOVXSKESA-N 1 1 259.350 -0.942 10 0 CBAEMO C[C@@H]1CN(CCCNC(=O)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000263251393 352440213 /nfs/dbraw/zinc/44/02/13/352440213.db2.gz DXVPNVUYIHNMMJ-GHMZBOCLSA-N 1 1 255.362 -0.179 10 0 CBAEMO CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261943250 352401941 /nfs/dbraw/zinc/40/19/41/352401941.db2.gz NEGIMESRQUIDIH-BBBLOLIVSA-N 1 1 257.334 -0.796 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCc1cnn(C)c1 ZINC000261942348 352402340 /nfs/dbraw/zinc/40/23/40/352402340.db2.gz NBGDSOBDXZJFGJ-KOLCDFICSA-N 1 1 252.318 -0.544 10 0 CBAEMO O=C(CC[N@H+]1CCC[C@@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC000262019553 352403034 /nfs/dbraw/zinc/40/30/34/352403034.db2.gz GBWFOUSFVFZNAH-CYBMUJFWSA-N 1 1 292.387 -0.263 10 0 CBAEMO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCNCC1 ZINC000262019553 352403037 /nfs/dbraw/zinc/40/30/37/352403037.db2.gz GBWFOUSFVFZNAH-CYBMUJFWSA-N 1 1 292.387 -0.263 10 0 CBAEMO CC(C)NC(=O)CN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262031784 352404202 /nfs/dbraw/zinc/40/42/02/352404202.db2.gz XMUPHPJBTXVTIQ-KOLCDFICSA-N 1 1 257.334 -0.654 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNc1cnccn1 ZINC000262121672 352407171 /nfs/dbraw/zinc/40/71/71/352407171.db2.gz FZKLOSJRWOXDTE-KOLCDFICSA-N 1 1 265.317 -0.618 10 0 CBAEMO CC(C)CN1CCO[C@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000263344257 352443041 /nfs/dbraw/zinc/44/30/41/352443041.db2.gz YNMIBZJTSGALEQ-GFCCVEGCSA-N 1 1 255.362 -0.321 10 0 CBAEMO CC(C)CNC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299752967 352729129 /nfs/dbraw/zinc/72/91/29/352729129.db2.gz WGJWTVCCRMQRGP-CMPLNLGQSA-N 1 1 285.388 -0.295 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000312570839 352774892 /nfs/dbraw/zinc/77/48/92/352774892.db2.gz UUJQCOZTLSLUOW-QWRGUYRKSA-N 1 1 287.360 -0.306 10 0 CBAEMO CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000312570839 352774896 /nfs/dbraw/zinc/77/48/96/352774896.db2.gz UUJQCOZTLSLUOW-QWRGUYRKSA-N 1 1 287.360 -0.306 10 0 CBAEMO CCOC(=O)COCC[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000310724732 352760995 /nfs/dbraw/zinc/76/09/95/352760995.db2.gz BRASZTGKUGZDAP-WDEREUQCSA-N 1 1 261.318 -0.352 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000313022299 352777010 /nfs/dbraw/zinc/77/70/10/352777010.db2.gz PHNFRLFDKKVHHZ-VHSXEESVSA-N 1 1 285.344 -0.602 10 0 CBAEMO CC(C)CNC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311197006 352767470 /nfs/dbraw/zinc/76/74/70/352767470.db2.gz IQSUXKHMVQWWEU-GFCCVEGCSA-N 1 1 257.334 -0.929 10 0 CBAEMO CC(C)CNC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311197006 352767472 /nfs/dbraw/zinc/76/74/72/352767472.db2.gz IQSUXKHMVQWWEU-GFCCVEGCSA-N 1 1 257.334 -0.929 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000311630098 352768920 /nfs/dbraw/zinc/76/89/20/352768920.db2.gz JAIUWPRDHVVYJC-LOWDOPEQSA-N 1 1 277.361 -0.520 10 0 CBAEMO OCC[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000336734618 353050658 /nfs/dbraw/zinc/05/06/58/353050658.db2.gz WGEJMJBNAZGZRC-OLZOCXBDSA-N 1 1 258.362 -0.616 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336786040 353051479 /nfs/dbraw/zinc/05/14/79/353051479.db2.gz AZWOSOCDSMYGJK-CMPLNLGQSA-N 1 1 260.334 -0.914 10 0 CBAEMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152562439 188028600 /nfs/dbraw/zinc/02/86/00/188028600.db2.gz COZNDUFPYIDFLG-SNVBAGLBSA-N 1 1 264.285 -0.270 10 0 CBAEMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152562439 188028601 /nfs/dbraw/zinc/02/86/01/188028601.db2.gz COZNDUFPYIDFLG-SNVBAGLBSA-N 1 1 264.285 -0.270 10 0 CBAEMO C[N@H+]1CCO[C@@H]2CN(c3nnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC000153183657 188069795 /nfs/dbraw/zinc/06/97/95/188069795.db2.gz MCQFDELRYYTECX-DTWKUNHWSA-N 1 1 297.746 -0.252 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186843940 137653468 /nfs/dbraw/zinc/65/34/68/137653468.db2.gz MIOYAWDNEFAFGF-UHFFFAOYSA-N 1 1 298.387 -0.515 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)c2ccc3nnnn3n2)[N@@H+](C)C1 ZINC000343875534 353295698 /nfs/dbraw/zinc/29/56/98/353295698.db2.gz TXLWYJINHJBTEU-UWVGGRQHSA-N 1 1 277.332 -0.325 10 0 CBAEMO CCS(=O)(=O)NCCN(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000345148602 353312762 /nfs/dbraw/zinc/31/27/62/353312762.db2.gz MREMQDOOJBDSKJ-RYUDHWBXSA-N 1 1 293.433 -0.423 10 0 CBAEMO O=C1CCCN1C[C@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247483865 137686258 /nfs/dbraw/zinc/68/62/58/137686258.db2.gz KFIYTCGBKGPTHL-QWHCGFSZSA-N 1 1 267.373 -0.250 10 0 CBAEMO COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000352371491 353482870 /nfs/dbraw/zinc/48/28/70/353482870.db2.gz JGTHBPKKWURAGR-GXFFZTMASA-N 1 1 272.345 -0.114 10 0 CBAEMO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCC[C@@H]1O ZINC000352658616 353500019 /nfs/dbraw/zinc/50/00/19/353500019.db2.gz JZRTWVIDLRCZDV-MNOVXSKESA-N 1 1 262.375 -0.133 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C ZINC000374227660 353742840 /nfs/dbraw/zinc/74/28/40/353742840.db2.gz ZPYBGOXRTAZRLZ-TYNCELHUSA-N 1 1 297.399 -0.184 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C ZINC000374227660 353742843 /nfs/dbraw/zinc/74/28/43/353742843.db2.gz ZPYBGOXRTAZRLZ-TYNCELHUSA-N 1 1 297.399 -0.184 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401736669 353803252 /nfs/dbraw/zinc/80/32/52/353803252.db2.gz IILVHJZLSVIPNG-ZJUUUORDSA-N 1 1 257.334 -0.075 10 0 CBAEMO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cn1 ZINC000404192144 353805855 /nfs/dbraw/zinc/80/58/55/353805855.db2.gz LPVNCHJJPJSLOE-GHMZBOCLSA-N 1 1 286.357 -0.829 10 0 CBAEMO COCCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404072356 353805859 /nfs/dbraw/zinc/80/58/59/353805859.db2.gz DDPDNHXGASAGEY-GHMZBOCLSA-N 1 1 278.374 -0.585 10 0 CBAEMO O=S(=O)(CC1CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404198457 353805991 /nfs/dbraw/zinc/80/59/91/353805991.db2.gz OKCNJCUURGWPKN-QWRGUYRKSA-N 1 1 260.359 -0.211 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000556726334 354681145 /nfs/dbraw/zinc/68/11/45/354681145.db2.gz IRLHRRRTKPTOCL-WCQYABFASA-N 1 1 272.345 -0.506 10 0 CBAEMO Cc1ccc(S(=O)(=O)NCC[C@H](N)C[NH3+])cc1 ZINC000584610368 355033770 /nfs/dbraw/zinc/03/37/70/355033770.db2.gz GBVUWKZDTHLAJU-JTQLQIEISA-N 1 1 257.359 -0.051 10 0 CBAEMO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000593912232 355228924 /nfs/dbraw/zinc/22/89/24/355228924.db2.gz ZYYHOVRCPBMGNE-MXWKQRLJSA-N 1 1 270.329 -0.225 10 0 CBAEMO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000616639975 356104918 /nfs/dbraw/zinc/10/49/18/356104918.db2.gz TYAVSNFTZDBZKY-SECBINFHSA-N 1 1 293.389 -0.256 10 0 CBAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](C(N)=O)C1 ZINC000616662316 356108119 /nfs/dbraw/zinc/10/81/19/356108119.db2.gz AKQLXZSUFBVSOR-SNVBAGLBSA-N 1 1 287.360 -0.055 10 0 CBAEMO C[C@H](CC(=O)N1CC[NH+](CCO)CC1)N1CCCCC1=O ZINC000328717370 202028263 /nfs/dbraw/zinc/02/82/63/202028263.db2.gz UNVNDJUHXNMMCS-CYBMUJFWSA-N 1 1 297.399 -0.086 10 0 CBAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cn3cnnn3)CC2)CCO1 ZINC000329016318 202154969 /nfs/dbraw/zinc/15/49/69/202154969.db2.gz KDQZSTDPBBOTGS-LLVKDONJSA-N 1 1 294.359 -0.615 10 0 CBAEMO CO[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@](C)(C[NH3+])C1 ZINC000630373717 356840220 /nfs/dbraw/zinc/84/02/20/356840220.db2.gz LCQUWAZCGOWAEZ-JQWIXIFHSA-N 1 1 252.318 -0.083 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H](C(F)F)CC1 ZINC000634752311 357133637 /nfs/dbraw/zinc/13/36/37/357133637.db2.gz JIFSWZWESGTFMX-DTWKUNHWSA-N 1 1 264.272 -0.143 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCNCC2=O)C1 ZINC000638079144 357412135 /nfs/dbraw/zinc/41/21/35/357412135.db2.gz BDOJLCKRYFHUFB-NEPJUHHUSA-N 1 1 282.388 -0.593 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCN(C)C[C@@H]1CO ZINC000639872193 357615757 /nfs/dbraw/zinc/61/57/57/357615757.db2.gz OMNPISDFYGEJTC-CHWSQXEVSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639872193 357615762 /nfs/dbraw/zinc/61/57/62/357615762.db2.gz OMNPISDFYGEJTC-CHWSQXEVSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639872193 357615765 /nfs/dbraw/zinc/61/57/65/357615765.db2.gz OMNPISDFYGEJTC-CHWSQXEVSA-N 1 1 260.378 -0.228 10 0 CBAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000639940381 357618490 /nfs/dbraw/zinc/61/84/90/357618490.db2.gz ZXBGAMBGQQUXPE-GHMZBOCLSA-N 1 1 262.375 -0.133 10 0 CBAEMO CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@H+]1Cc1ccnn1C ZINC000643551871 357788014 /nfs/dbraw/zinc/78/80/14/357788014.db2.gz NBETUXSWOLKDLR-XQHKEYJVSA-N 1 1 269.345 -0.657 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000037629360 283293903 /nfs/dbraw/zinc/29/39/03/283293903.db2.gz ODQAAHIPGCEHHT-VHSXEESVSA-N 1 1 263.297 -0.171 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000367483069 283339991 /nfs/dbraw/zinc/33/99/91/283339991.db2.gz KHOWVUFCBHHLQH-CYBMUJFWSA-N 1 1 269.345 -0.689 10 0 CBAEMO CNC(=O)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262400451 283441548 /nfs/dbraw/zinc/44/15/48/283441548.db2.gz YMIPVKSBFPGLEB-VWYCJHECSA-N 1 1 269.345 -0.652 10 0 CBAEMO Cn1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000177971791 189082533 /nfs/dbraw/zinc/08/25/33/189082533.db2.gz VWVMSUGOOAPUTI-LLVKDONJSA-N 1 1 277.328 -0.335 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000179171517 189174388 /nfs/dbraw/zinc/17/43/88/189174388.db2.gz PJCVHIFUYKGTPD-HUUCEWRRSA-N 1 1 290.363 -0.001 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000179171517 189174389 /nfs/dbraw/zinc/17/43/89/189174389.db2.gz PJCVHIFUYKGTPD-HUUCEWRRSA-N 1 1 290.363 -0.001 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000179171530 189174451 /nfs/dbraw/zinc/17/44/51/189174451.db2.gz PJCVHIFUYKGTPD-CABCVRRESA-N 1 1 290.363 -0.001 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000179171530 189174452 /nfs/dbraw/zinc/17/44/52/189174452.db2.gz PJCVHIFUYKGTPD-CABCVRRESA-N 1 1 290.363 -0.001 10 0 CBAEMO C[C@H](CO)[N@@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000179513890 189198882 /nfs/dbraw/zinc/19/88/82/189198882.db2.gz SQYNGSDUAGNBNL-MNOVXSKESA-N 1 1 292.335 -0.044 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@H]1C ZINC000121298361 296183392 /nfs/dbraw/zinc/18/33/92/296183392.db2.gz JPNYNXIBGRJGDI-GHMZBOCLSA-N 1 1 286.376 -0.829 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344377071 217174885 /nfs/dbraw/zinc/17/48/85/217174885.db2.gz XNLIGUSYACUAEY-QWRGUYRKSA-N 1 1 280.390 -0.339 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344377071 217174886 /nfs/dbraw/zinc/17/48/86/217174886.db2.gz XNLIGUSYACUAEY-QWRGUYRKSA-N 1 1 280.390 -0.339 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CCN2CCCC2=O)C[C@H]1C ZINC000105823929 296185581 /nfs/dbraw/zinc/18/55/81/296185581.db2.gz VFTVCTQNLJEOPK-CHWSQXEVSA-N 1 1 269.389 -0.004 10 0 CBAEMO COCCN(C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305782 372789828 /nfs/dbraw/zinc/78/98/28/372789828.db2.gz UHVHZXBPVSSCGM-NWDGAFQWSA-N 1 1 291.417 -0.022 10 0 CBAEMO CN1CCO[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000174663271 372833040 /nfs/dbraw/zinc/83/30/40/372833040.db2.gz FMVHPCCQXKIOIP-VXGBXAGGSA-N 1 1 253.346 -0.376 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@@H+]1CCOC ZINC000262119204 372909151 /nfs/dbraw/zinc/90/91/51/372909151.db2.gz FTUTWOZFAMGTCC-RDBSUJKOSA-N 1 1 299.415 -0.068 10 0 CBAEMO CC[C@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1CCOC ZINC000262119204 372909159 /nfs/dbraw/zinc/90/91/59/372909159.db2.gz FTUTWOZFAMGTCC-RDBSUJKOSA-N 1 1 299.415 -0.068 10 0 CBAEMO COCCCNC(=O)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344730787 217291068 /nfs/dbraw/zinc/29/10/68/217291068.db2.gz UWTALRBRLGAVSP-MNOVXSKESA-N 1 1 260.334 -0.779 10 0 CBAEMO COCCCNC(=O)C[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344730787 217291072 /nfs/dbraw/zinc/29/10/72/217291072.db2.gz UWTALRBRLGAVSP-MNOVXSKESA-N 1 1 260.334 -0.779 10 0 CBAEMO Cc1[nH+]ccn1-c1cncc(N2C[C@@H](O)[C@H](O)C2)n1 ZINC000333434854 205318546 /nfs/dbraw/zinc/31/85/46/205318546.db2.gz KRYHTESLSOOMNS-NXEZZACHSA-N 1 1 261.285 -0.487 10 0 CBAEMO C[N@@H+](C[C@@H](O)CN1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836077 373024263 /nfs/dbraw/zinc/02/42/63/373024263.db2.gz KLXXUSAZIRZFFP-LSDHHAIUSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836077 373024269 /nfs/dbraw/zinc/02/42/69/373024269.db2.gz KLXXUSAZIRZFFP-LSDHHAIUSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836077 373024275 /nfs/dbraw/zinc/02/42/75/373024275.db2.gz KLXXUSAZIRZFFP-LSDHHAIUSA-N 1 1 283.416 -0.152 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890182 217346200 /nfs/dbraw/zinc/34/62/00/217346200.db2.gz CHOVGGFJFCGGAJ-GHMZBOCLSA-N 1 1 287.360 -0.450 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890182 217346201 /nfs/dbraw/zinc/34/62/01/217346201.db2.gz CHOVGGFJFCGGAJ-GHMZBOCLSA-N 1 1 287.360 -0.450 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890203 217346334 /nfs/dbraw/zinc/34/63/34/217346334.db2.gz CHOVGGFJFCGGAJ-MNOVXSKESA-N 1 1 287.360 -0.450 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000344890203 217346336 /nfs/dbraw/zinc/34/63/36/217346336.db2.gz CHOVGGFJFCGGAJ-MNOVXSKESA-N 1 1 287.360 -0.450 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000344880921 217342504 /nfs/dbraw/zinc/34/25/04/217342504.db2.gz UVMIIXHMWYYRHM-NWDGAFQWSA-N 1 1 272.345 -0.683 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)NCCN2CCSCC2)[N@@H+](C)C1 ZINC000344953756 217366119 /nfs/dbraw/zinc/36/61/19/217366119.db2.gz UQQNECJJLJMAAP-RYUDHWBXSA-N 1 1 287.429 -0.130 10 0 CBAEMO CCO[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000644428843 374563336 /nfs/dbraw/zinc/56/33/36/374563336.db2.gz DFUDXJYGIYJALO-CHWSQXEVSA-N 1 1 272.345 -0.635 10 0 CBAEMO C[NH2+][C@H](C(=O)NCC(C)(C)C(=O)OC)c1cnn(C)c1 ZINC000262355887 190053732 /nfs/dbraw/zinc/05/37/32/190053732.db2.gz GUZCXRDKLGQAEE-JTQLQIEISA-N 1 1 282.344 -0.004 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105903808 207368627 /nfs/dbraw/zinc/36/86/27/207368627.db2.gz ZJYFKJJKGRNSLI-JTQLQIEISA-N 1 1 280.332 -0.425 10 0 CBAEMO CC[C@@H]1CN(C(=O)CC[NH2+]C)CCN1C[C@@H](C)O ZINC000262336124 287133484 /nfs/dbraw/zinc/13/34/84/287133484.db2.gz HGRUBNLQNBOTKA-VXGBXAGGSA-N 1 1 257.378 -0.101 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCCC[C@H]1CCO ZINC000020247750 171101225 /nfs/dbraw/zinc/10/12/25/171101225.db2.gz ZOZPAEJGUUGKEU-NSHDSACASA-N 1 1 277.390 -0.627 10 0 CBAEMO CN(C1CCN(C)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247596 171101271 /nfs/dbraw/zinc/10/12/71/171101271.db2.gz HONROQXMUNYLSM-UHFFFAOYSA-N 1 1 276.406 -0.838 10 0 CBAEMO CN1CCN(CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC000021951771 171340182 /nfs/dbraw/zinc/34/01/82/171340182.db2.gz LRGVKXBZBZXOOU-UHFFFAOYSA-N 1 1 254.378 -0.650 10 0 CBAEMO CN1CCN([C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1 ZINC000022563802 171391198 /nfs/dbraw/zinc/39/11/98/171391198.db2.gz MDPLJUGVMRWAQG-VXGBXAGGSA-N 1 1 255.362 -0.143 10 0 CBAEMO CN1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000022563798 171391402 /nfs/dbraw/zinc/39/14/02/171391402.db2.gz MDPLJUGVMRWAQG-RYUDHWBXSA-N 1 1 255.362 -0.143 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CNc1nn(C)c(=O)n(C)c1=O ZINC000035179367 172032711 /nfs/dbraw/zinc/03/27/11/172032711.db2.gz OIEOMBALYZKEJK-SECBINFHSA-N 1 1 267.333 -0.625 10 0 CBAEMO O=C(c1ccc(=O)oc1)N1CC[NH+](CCO)CC1 ZINC000035188086 172043491 /nfs/dbraw/zinc/04/34/91/172043491.db2.gz VSGYYOGXRJOSRZ-UHFFFAOYSA-N 1 1 252.270 -0.610 10 0 CBAEMO NN=c1[nH]cccc1S(=O)(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000035358463 172148545 /nfs/dbraw/zinc/14/85/45/172148545.db2.gz CSCGMHRRRSUIAC-JTQLQIEISA-N 1 1 297.384 -0.260 10 0 CBAEMO C[C@H](NC1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000037249525 173061988 /nfs/dbraw/zinc/06/19/88/173061988.db2.gz OYPCATDXSFYRTB-NSHDSACASA-N 1 1 255.362 -0.083 10 0 CBAEMO COc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1F ZINC000037626164 173576926 /nfs/dbraw/zinc/57/69/26/173576926.db2.gz NTRHTARVKOVZKC-QMMMGPOBSA-N 1 1 255.249 -0.025 10 0 CBAEMO COC(=O)[C@@H](C)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031364 174025665 /nfs/dbraw/zinc/02/56/65/174025665.db2.gz ZMUFSJZQOMJJBT-JTQLQIEISA-N 1 1 257.334 -0.841 10 0 CBAEMO COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000038101860 174117634 /nfs/dbraw/zinc/11/76/34/174117634.db2.gz VWHBABOKZJLUNF-IUCAKERBSA-N 1 1 271.317 -0.867 10 0 CBAEMO C[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000040486769 174289764 /nfs/dbraw/zinc/28/97/64/174289764.db2.gz WEHCMRQIEFNEMV-MWLCHTKSSA-N 1 1 269.345 -0.126 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040502517 174299407 /nfs/dbraw/zinc/29/94/07/174299407.db2.gz LPPMYKWXIXAQND-LBPRGKRZSA-N 1 1 280.372 -0.342 10 0 CBAEMO CC[N@H+]1CCC[C@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000040502517 174299409 /nfs/dbraw/zinc/29/94/09/174299409.db2.gz LPPMYKWXIXAQND-LBPRGKRZSA-N 1 1 280.372 -0.342 10 0 CBAEMO CN(C)c1[nH+]cnc(NCCN2CCOCC2)c1N ZINC000040723626 174385944 /nfs/dbraw/zinc/38/59/44/174385944.db2.gz CTTNKCMLAVZAAK-UHFFFAOYSA-N 1 1 266.349 -0.131 10 0 CBAEMO C[C@H](C(=O)N1CCNCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189213 176064248 /nfs/dbraw/zinc/06/42/48/176064248.db2.gz RLVUGTTWGKFRFY-CHWSQXEVSA-N 1 1 268.405 -0.310 10 0 CBAEMO C[C@H](C(=O)N1CCNCC1)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189213 176064249 /nfs/dbraw/zinc/06/42/49/176064249.db2.gz RLVUGTTWGKFRFY-CHWSQXEVSA-N 1 1 268.405 -0.310 10 0 CBAEMO CCN(C(=O)c1cc(O)[nH]c(=O)c1)[C@H]1CC[NH2+]C1 ZINC000071312631 176119171 /nfs/dbraw/zinc/11/91/71/176119171.db2.gz RKAITRONDOMKKX-VIFPVBQESA-N 1 1 251.286 -0.096 10 0 CBAEMO OCC[N@H+]1CCCN(CCN2CCOCC2)CC1 ZINC000071349979 176133998 /nfs/dbraw/zinc/13/39/98/176133998.db2.gz DIURTMWLUYMBOQ-UHFFFAOYSA-N 1 1 257.378 -0.681 10 0 CBAEMO OCCN1CCC[N@H+](CCN2CCOCC2)CC1 ZINC000071349979 176133999 /nfs/dbraw/zinc/13/39/99/176133999.db2.gz DIURTMWLUYMBOQ-UHFFFAOYSA-N 1 1 257.378 -0.681 10 0 CBAEMO OCCN1CCC[N@@H+](CCN2CCOCC2)CC1 ZINC000071349979 176134000 /nfs/dbraw/zinc/13/40/00/176134000.db2.gz DIURTMWLUYMBOQ-UHFFFAOYSA-N 1 1 257.378 -0.681 10 0 CBAEMO Cc1nnc(CN2CCC[N@@H+](CCO)CC2)n1C ZINC000071350604 176134229 /nfs/dbraw/zinc/13/42/29/176134229.db2.gz IAVYPGIFRYDVMA-UHFFFAOYSA-N 1 1 253.350 -0.376 10 0 CBAEMO CCC(=O)N1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371284 544434069 /nfs/dbraw/zinc/43/40/69/544434069.db2.gz KMQSIMNIQROFHE-NSHDSACASA-N 1 1 269.345 -0.554 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089454539 544437039 /nfs/dbraw/zinc/43/70/39/544437039.db2.gz WEHYAJROTSVRQE-OLZOCXBDSA-N 1 1 268.405 -0.275 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc(N)n1 ZINC000094456626 544444615 /nfs/dbraw/zinc/44/46/15/544444615.db2.gz LWWXLFSHTOBYAY-NXEZZACHSA-N 1 1 264.333 -0.445 10 0 CBAEMO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1COCC[NH2+]1 ZINC000227326708 544493917 /nfs/dbraw/zinc/49/39/17/544493917.db2.gz LHWMCONBDMJGAJ-XQQFMLRXSA-N 1 1 262.309 -0.251 10 0 CBAEMO O=C(CCNC(=O)[C@@H]1COCC[NH2+]1)N1CCCCC1 ZINC000135255129 544463147 /nfs/dbraw/zinc/46/31/47/544463147.db2.gz HZPJKRSDTOVGKI-NSHDSACASA-N 1 1 269.345 -0.506 10 0 CBAEMO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN(C)CCN1C ZINC000136467164 544464656 /nfs/dbraw/zinc/46/46/56/544464656.db2.gz HPMICGPDOJGWFL-NWDGAFQWSA-N 1 1 256.394 -0.278 10 0 CBAEMO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN(C)CCN1C ZINC000136467057 544464868 /nfs/dbraw/zinc/46/48/68/544464868.db2.gz HPMICGPDOJGWFL-VXGBXAGGSA-N 1 1 256.394 -0.278 10 0 CBAEMO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CN(C)CCN1C ZINC000136467210 544465147 /nfs/dbraw/zinc/46/51/47/544465147.db2.gz HPMICGPDOJGWFL-RYUDHWBXSA-N 1 1 256.394 -0.278 10 0 CBAEMO CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ncc[nH]1 ZINC000328637593 544532384 /nfs/dbraw/zinc/53/23/84/544532384.db2.gz WBDXOSMVFKGSKM-NWDGAFQWSA-N 1 1 293.371 -0.445 10 0 CBAEMO CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ncc[nH]1 ZINC000328637593 544532389 /nfs/dbraw/zinc/53/23/89/544532389.db2.gz WBDXOSMVFKGSKM-NWDGAFQWSA-N 1 1 293.371 -0.445 10 0 CBAEMO O=C(Cc1[nH]nc2ccccc21)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262210767 544519418 /nfs/dbraw/zinc/51/94/18/544519418.db2.gz ITTHBQZKSIGCOT-NOZJJQNGSA-N 1 1 274.324 -0.198 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)N(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310758144 544528420 /nfs/dbraw/zinc/52/84/20/544528420.db2.gz AILXNMIIOBDJPI-RWMBFGLXSA-N 1 1 260.378 -0.231 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(N)=O)C[C@H]1CC ZINC000105837613 419484310 /nfs/dbraw/zinc/48/43/10/419484310.db2.gz FUDXQCCEIXISMF-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194524690 419553237 /nfs/dbraw/zinc/55/32/37/419553237.db2.gz CTACSCSBPIRXBU-OLZOCXBDSA-N 1 1 296.415 -0.488 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000174954694 419505310 /nfs/dbraw/zinc/50/53/10/419505310.db2.gz JLLNYJMAUOYDBD-OLZOCXBDSA-N 1 1 285.388 -0.504 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000174954694 419505315 /nfs/dbraw/zinc/50/53/15/419505315.db2.gz JLLNYJMAUOYDBD-OLZOCXBDSA-N 1 1 285.388 -0.504 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000246967293 419593005 /nfs/dbraw/zinc/59/30/05/419593005.db2.gz KCOQOTRVZFNYJJ-WOPDTQHZSA-N 1 1 255.362 -0.396 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000248650755 419594570 /nfs/dbraw/zinc/59/45/70/419594570.db2.gz MFFKIDBESXJUGE-GHMZBOCLSA-N 1 1 260.334 -0.650 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000248650755 419594577 /nfs/dbraw/zinc/59/45/77/419594577.db2.gz MFFKIDBESXJUGE-GHMZBOCLSA-N 1 1 260.334 -0.650 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000314362297 419623746 /nfs/dbraw/zinc/62/37/46/419623746.db2.gz KTFSUSYPTMWYLS-MBNYWOFBSA-N 1 1 285.388 -0.592 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000312559138 419624615 /nfs/dbraw/zinc/62/46/15/419624615.db2.gz YBTMJFIFGMRITD-CQSZACIVSA-N 1 1 283.372 -0.299 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC(N)=O)C1 ZINC000662854691 419753432 /nfs/dbraw/zinc/75/34/32/419753432.db2.gz UCOQFPQHSWYGHH-RKDXNWHRSA-N 1 1 256.350 -0.822 10 0 CBAEMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC(F)(F)CN1 ZINC000662906277 419768501 /nfs/dbraw/zinc/76/85/01/419768501.db2.gz LMQWDBUTAMONON-MNOVXSKESA-N 1 1 288.342 -0.510 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000648088430 419724698 /nfs/dbraw/zinc/72/46/98/419724698.db2.gz HWCRGPMSCBXSPO-HTQZYQBOSA-N 1 1 268.235 -0.236 10 0 CBAEMO C[C@]1(C(F)F)CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000663010293 419810315 /nfs/dbraw/zinc/81/03/15/419810315.db2.gz SKTQEBLXQLSMQG-GZMMTYOYSA-N 1 1 264.272 -0.143 10 0 CBAEMO O=C([C@H]1C[NH2+]CCOC1)N1CCN(CC2CC2)CC1 ZINC000649299367 419871164 /nfs/dbraw/zinc/87/11/64/419871164.db2.gz NLXHEKGRZHDSQN-ZDUSSCGKSA-N 1 1 267.373 -0.223 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000664268448 419894762 /nfs/dbraw/zinc/89/47/62/419894762.db2.gz JGZWZHLNUUVBHP-DTWKUNHWSA-N 1 1 286.357 -0.234 10 0 CBAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H]([C@H]2CNC(=O)CN2)C1 ZINC000669378378 544747423 /nfs/dbraw/zinc/74/74/23/544747423.db2.gz BYOQDXXRWLFUNI-ZJUUUORDSA-N 1 1 284.360 -0.717 10 0 CBAEMO CC(C)N1CCC[C@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000368495407 420135741 /nfs/dbraw/zinc/13/57/41/420135741.db2.gz JRGVHCASVPZYLP-FZMZJTMJSA-N 1 1 283.372 -0.302 10 0 CBAEMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000370533166 420181066 /nfs/dbraw/zinc/18/10/66/420181066.db2.gz JHWXHFCDRIRQQD-QMTHXVAHSA-N 1 1 283.372 -0.254 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399504886 420221020 /nfs/dbraw/zinc/22/10/20/420221020.db2.gz XOKTWSRBCNANJT-VXGBXAGGSA-N 1 1 285.388 -0.184 10 0 CBAEMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399504886 420221024 /nfs/dbraw/zinc/22/10/24/420221024.db2.gz XOKTWSRBCNANJT-VXGBXAGGSA-N 1 1 285.388 -0.184 10 0 CBAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000399150938 420218467 /nfs/dbraw/zinc/21/84/67/420218467.db2.gz GAXXUTFUFQLVFB-NWDGAFQWSA-N 1 1 255.362 -0.394 10 0 CBAEMO C[N@@H+]1CCO[C@H](CNCc2nnn(C(C)(C)C)n2)C1 ZINC000657349280 420352280 /nfs/dbraw/zinc/35/22/80/420352280.db2.gz PMKKIJIPBCCFLX-SNVBAGLBSA-N 1 1 268.365 -0.152 10 0 CBAEMO C[N@H+]1CCO[C@H](CNCc2nnn(C(C)(C)C)n2)C1 ZINC000657349280 420352284 /nfs/dbraw/zinc/35/22/84/420352284.db2.gz PMKKIJIPBCCFLX-SNVBAGLBSA-N 1 1 268.365 -0.152 10 0 CBAEMO COCCN1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000675059034 544923143 /nfs/dbraw/zinc/92/31/43/544923143.db2.gz HRLSXBKVMLZICT-OLZOCXBDSA-N 1 1 257.378 -0.243 10 0 CBAEMO CCCS(=O)(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073217 544924907 /nfs/dbraw/zinc/92/49/07/544924907.db2.gz HRPPBPVCFHKENL-UHFFFAOYSA-N 1 1 250.320 -0.651 10 0 CBAEMO CCCCS(=O)(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073319 544924958 /nfs/dbraw/zinc/92/49/58/544924958.db2.gz IULXVVJHLNCXLY-UHFFFAOYSA-N 1 1 264.347 -0.261 10 0 CBAEMO C[N@H+](CC(=O)N1CCNC1=O)C[C@H]1CCc2nccn2C1 ZINC000681928071 545052301 /nfs/dbraw/zinc/05/23/01/545052301.db2.gz GOBAPKPVSVJLCP-LLVKDONJSA-N 1 1 291.355 -0.071 10 0 CBAEMO C[C@@H]1CN(CC[N@H+]2C[C@H](O)C[C@@H]2CO)C[C@H](C)O1 ZINC000660148238 420485887 /nfs/dbraw/zinc/48/58/87/420485887.db2.gz NUIQNSYRLIWVLH-YVECIDJPSA-N 1 1 258.362 -0.477 10 0 CBAEMO CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261915926 275459713 /nfs/dbraw/zinc/45/97/13/275459713.db2.gz JQDQIKOHFDKQHW-KOLCDFICSA-N 1 1 255.318 -0.946 10 0 CBAEMO CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1=O ZINC000261965954 275938752 /nfs/dbraw/zinc/93/87/52/275938752.db2.gz PZPLVVACNDFXID-KKZNHRDASA-N 1 1 283.328 -0.985 10 0 CBAEMO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000248650757 276238125 /nfs/dbraw/zinc/23/81/25/276238125.db2.gz MFFKIDBESXJUGE-WDEREUQCSA-N 1 1 260.334 -0.650 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000248650757 276238128 /nfs/dbraw/zinc/23/81/28/276238128.db2.gz MFFKIDBESXJUGE-WDEREUQCSA-N 1 1 260.334 -0.650 10 0 CBAEMO CCOC[C@@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000069277381 276330057 /nfs/dbraw/zinc/33/00/57/276330057.db2.gz REVIDIBFWBZYHI-STQMWFEESA-N 1 1 258.362 -0.210 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CC(N)=O ZINC000092630246 276370181 /nfs/dbraw/zinc/37/01/81/276370181.db2.gz RDZJOYJTVCVWHI-NXEZZACHSA-N 1 1 256.350 -0.868 10 0 CBAEMO CO[C@@H](C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259877 545083371 /nfs/dbraw/zinc/08/33/71/545083371.db2.gz KJLXOLQZGFBRHY-OIBJUYFYSA-N 1 1 253.306 -0.672 10 0 CBAEMO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](O)(C(N)=O)C1 ZINC000367489393 277060930 /nfs/dbraw/zinc/06/09/30/277060930.db2.gz LVHLERCVAANDOW-DGCLKSJQSA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@](O)(C(N)=O)C1 ZINC000367489393 277060931 /nfs/dbraw/zinc/06/09/31/277060931.db2.gz LVHLERCVAANDOW-DGCLKSJQSA-N 1 1 255.362 -0.217 10 0 CBAEMO COC(=O)N1CCC(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000496472156 277070934 /nfs/dbraw/zinc/07/09/34/277070934.db2.gz SGTIXQXDVAMQJK-KOLCDFICSA-N 1 1 285.344 -0.290 10 0 CBAEMO C[N@H+]1CCO[C@H]2CN(c3ncnc4n[nH]cc43)C[C@H]21 ZINC000301671643 277132298 /nfs/dbraw/zinc/13/22/98/277132298.db2.gz QPFKPDROTCTEMY-ZJUUUORDSA-N 1 1 260.301 -0.128 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000262287556 277261231 /nfs/dbraw/zinc/26/12/31/277261231.db2.gz YBJRVNVEKUOUHD-HBNTYKKESA-N 1 1 290.385 -0.472 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000261984343 280059306 /nfs/dbraw/zinc/05/93/06/280059306.db2.gz RZVJJODXNWQYDH-ZNSHCXBVSA-N 1 1 269.345 -0.476 10 0 CBAEMO Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH3+])cc1 ZINC000040173603 301699577 /nfs/dbraw/zinc/69/95/77/301699577.db2.gz HYVRJQMROVEICM-GHMZBOCLSA-N 1 1 289.378 -0.107 10 0 CBAEMO COCCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404072358 327988505 /nfs/dbraw/zinc/98/85/05/327988505.db2.gz DDPDNHXGASAGEY-MNOVXSKESA-N 1 1 278.374 -0.585 10 0 CBAEMO C(CN1CCOCC1)C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000580455812 330141813 /nfs/dbraw/zinc/14/18/13/330141813.db2.gz RJNHGVSFTXJEMH-KBPBESRZSA-N 1 1 269.389 -0.229 10 0 CBAEMO C(CN1CCOCC1)C[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000580455812 330141815 /nfs/dbraw/zinc/14/18/15/330141815.db2.gz RJNHGVSFTXJEMH-KBPBESRZSA-N 1 1 269.389 -0.229 10 0 CBAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000384847418 336132701 /nfs/dbraw/zinc/13/27/01/336132701.db2.gz AVDNFZWTLNTASF-SCZZXKLOSA-N 1 1 255.318 -0.180 10 0 CBAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NN)nn2)C1 ZINC000051114509 521623616 /nfs/dbraw/zinc/62/36/16/521623616.db2.gz RBGBQYNXBLDCBJ-SECBINFHSA-N 1 1 264.333 -0.024 10 0 CBAEMO CCOC(=O)[C@@H](C)NCC(=O)N1CC[NH+](C)CC1 ZINC000049372603 521020909 /nfs/dbraw/zinc/02/09/09/521020909.db2.gz QBASLHBYSXWKBG-SNVBAGLBSA-N 1 1 257.334 -0.698 10 0 CBAEMO CCN1CCC[C@@H](NS(=O)(=O)N(C)CCC[NH3+])C1 ZINC000049204319 521625436 /nfs/dbraw/zinc/62/54/36/521625436.db2.gz ORSXETNQYHWWFQ-LLVKDONJSA-N 1 1 278.422 -0.414 10 0 CBAEMO C[NH2+]CCS(=O)(=O)N[C@@H](C)CN1CCCCC1 ZINC000049630416 522013508 /nfs/dbraw/zinc/01/35/08/522013508.db2.gz QXSRGQUHQNGNHN-NSHDSACASA-N 1 1 263.407 0.000 10 0 CBAEMO CNc1ncc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000050669526 522702398 /nfs/dbraw/zinc/70/23/98/522702398.db2.gz FGRAVDLIZHKOJH-SECBINFHSA-N 1 1 285.373 -0.109 10 0 CBAEMO CNc1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000050669526 522702403 /nfs/dbraw/zinc/70/24/03/522702403.db2.gz FGRAVDLIZHKOJH-SECBINFHSA-N 1 1 285.373 -0.109 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)c1cc(NN)ccn1 ZINC000061401266 523595653 /nfs/dbraw/zinc/59/56/53/523595653.db2.gz POAVAMJRHONZHW-UHFFFAOYSA-N 1 1 267.333 -0.325 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085687 523901522 /nfs/dbraw/zinc/90/15/22/523901522.db2.gz XGCZEKOWNVJENR-STQMWFEESA-N 1 1 268.405 -0.133 10 0 CBAEMO COCCNC(=O)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568415 523915837 /nfs/dbraw/zinc/91/58/37/523915837.db2.gz HVXDSLVTQDDUIX-SDDRHHMPSA-N 1 1 255.362 -0.036 10 0 CBAEMO COCCNC(=O)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568415 523915839 /nfs/dbraw/zinc/91/58/39/523915839.db2.gz HVXDSLVTQDDUIX-SDDRHHMPSA-N 1 1 255.362 -0.036 10 0 CBAEMO C[C@H](C[NH3+])CN1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000062775079 524308363 /nfs/dbraw/zinc/30/83/63/524308363.db2.gz BTGYEKBHOYTVFY-SNVBAGLBSA-N 1 1 251.334 -0.238 10 0 CBAEMO NC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061708514 527060292 /nfs/dbraw/zinc/06/02/92/527060292.db2.gz KIDIUIXNASZCDQ-NSHDSACASA-N 1 1 263.297 -0.209 10 0 CBAEMO NC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1 ZINC000061708514 527060297 /nfs/dbraw/zinc/06/02/97/527060297.db2.gz KIDIUIXNASZCDQ-NSHDSACASA-N 1 1 263.297 -0.209 10 0 CBAEMO Nc1cc(=O)[nH]c(=O)n1[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049568768 527440489 /nfs/dbraw/zinc/44/04/89/527440489.db2.gz PHIWCNSIIXMIQU-RKDXNWHRSA-N 1 1 250.302 -0.082 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171704019 528161752 /nfs/dbraw/zinc/16/17/52/528161752.db2.gz AEMCIXNCLLLRJK-SNVBAGLBSA-N 1 1 280.332 -0.239 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171704019 528161759 /nfs/dbraw/zinc/16/17/59/528161759.db2.gz AEMCIXNCLLLRJK-SNVBAGLBSA-N 1 1 280.332 -0.239 10 0 CBAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@@H](O)[C@@H]12)[C@@H](C)O ZINC000000899362 560179334 /nfs/dbraw/zinc/17/93/34/560179334.db2.gz SFVVQRJOGUKCEG-OPQSFPLASA-N 1 1 299.367 -0.327 10 0 biogenic,in-vitro CBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]1C(N)=O ZINC000757156526 582305222 /nfs/dbraw/zinc/30/52/22/582305222.db2.gz KYLURGHCLHOOJM-STQMWFEESA-N 1 1 290.367 -0.468 10 0 CBAEMO CCN(C)C(=O)C[N@@H+]1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000886074574 584430742 /nfs/dbraw/zinc/43/07/42/584430742.db2.gz QIOQWWRGFQIARV-CMPLNLGQSA-N 1 1 281.360 -0.292 10 0 CBAEMO CCN(C)C(=O)C[N@H+]1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000886074574 584430743 /nfs/dbraw/zinc/43/07/43/584430743.db2.gz QIOQWWRGFQIARV-CMPLNLGQSA-N 1 1 281.360 -0.292 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000895663004 584683830 /nfs/dbraw/zinc/68/38/30/584683830.db2.gz IEESUUJYJOTJEK-STQMWFEESA-N 1 1 299.415 -0.332 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000896993022 584707322 /nfs/dbraw/zinc/70/73/22/584707322.db2.gz MQFJTWVWAFBOIM-IUCAKERBSA-N 1 1 251.290 -0.961 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000896993022 584707323 /nfs/dbraw/zinc/70/73/23/584707323.db2.gz MQFJTWVWAFBOIM-IUCAKERBSA-N 1 1 251.290 -0.961 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900601833 584815094 /nfs/dbraw/zinc/81/50/94/584815094.db2.gz PBONLXQODHASSP-WDEREUQCSA-N 1 1 274.361 -0.967 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900901567 584832412 /nfs/dbraw/zinc/83/24/12/584832412.db2.gz QDHUNKIECCRWLO-UPJWGTAASA-N 1 1 295.383 -0.071 10 0 CBAEMO Nc1nc(CCNC[C@@]2(O)CCC[NH2+]C2)cs1 ZINC000072430468 656041778 /nfs/dbraw/zinc/04/17/78/656041778.db2.gz FWTZSTXRRKLZGH-LLVKDONJSA-N 1 1 256.375 -0.028 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000310657905 656143482 /nfs/dbraw/zinc/14/34/82/656143482.db2.gz FCPULWYHIJYTGD-UWVGGRQHSA-N 1 1 278.374 -0.381 10 0 CBAEMO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000034588859 656000039 /nfs/dbraw/zinc/00/00/39/656000039.db2.gz PHLORFAGTXJTFY-QWRGUYRKSA-N 1 1 293.323 -0.910 10 0 CBAEMO COC(=O)c1ccc(C)c(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037655179 656003193 /nfs/dbraw/zinc/00/31/93/656003193.db2.gz JNTXCTOGYVMWBI-VIFPVBQESA-N 1 1 279.296 -0.077 10 0 CBAEMO Cc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1-n1cnnn1 ZINC000037626746 656003490 /nfs/dbraw/zinc/00/34/90/656003490.db2.gz ILWLEWMJHPAVTI-VIFPVBQESA-N 1 1 289.299 -0.888 10 0 CBAEMO CN1CCC(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000044518029 656010567 /nfs/dbraw/zinc/01/05/67/656010567.db2.gz RLPRWFHPFHKNCI-GHMZBOCLSA-N 1 1 262.375 -0.924 10 0 CBAEMO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cn1 ZINC000062053030 656032948 /nfs/dbraw/zinc/03/29/48/656032948.db2.gz CLBFZWOZRGYYOP-GHMZBOCLSA-N 1 1 256.327 -0.362 10 0 CBAEMO CCOC(=O)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371270 656053259 /nfs/dbraw/zinc/05/32/59/656053259.db2.gz VLTXSRPLCIBYDY-JTQLQIEISA-N 1 1 271.317 -0.725 10 0 CBAEMO Nc1ncc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000094466672 656060909 /nfs/dbraw/zinc/06/09/09/656060909.db2.gz RCGZVEBQGGPWCH-SECBINFHSA-N 1 1 283.357 -0.473 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094466583 656061150 /nfs/dbraw/zinc/06/11/50/656061150.db2.gz XNBWSNDVCUBEID-VHSXEESVSA-N 1 1 297.384 -0.084 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC000094996226 656061774 /nfs/dbraw/zinc/06/17/74/656061774.db2.gz BIDQZVKJIYLKEY-MNOVXSKESA-N 1 1 270.329 -0.414 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C ZINC000094996719 656061996 /nfs/dbraw/zinc/06/19/96/656061996.db2.gz XOKYYWWQRACLQN-YUMQZZPRSA-N 1 1 257.290 -0.688 10 0 CBAEMO CCc1nn(C)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000124068918 656067523 /nfs/dbraw/zinc/06/75/23/656067523.db2.gz RPZMJXOSYUZPQJ-GHMZBOCLSA-N 1 1 273.358 -0.770 10 0 CBAEMO COCC[N@@H+](CCC(=O)OC)C[C@H]1CNC(=O)O1 ZINC000157083688 656075792 /nfs/dbraw/zinc/07/57/92/656075792.db2.gz GEOJUICOALRPMS-SECBINFHSA-N 1 1 260.290 -0.394 10 0 CBAEMO COC(=O)c1ncn(CN2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000172504021 656084554 /nfs/dbraw/zinc/08/45/54/656084554.db2.gz OQWKCOUBJWOWFP-SNVBAGLBSA-N 1 1 265.317 -0.198 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=COCCO2)C[C@@H]1C ZINC000174302860 656085404 /nfs/dbraw/zinc/08/54/04/656085404.db2.gz QLEVWXICVOSGAI-WDEREUQCSA-N 1 1 270.329 -0.212 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=COCCO2)C[C@@H]1C ZINC000174302860 656085406 /nfs/dbraw/zinc/08/54/06/656085406.db2.gz QLEVWXICVOSGAI-WDEREUQCSA-N 1 1 270.329 -0.212 10 0 CBAEMO COCC[N@H+]1CCN(CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000182281064 656092447 /nfs/dbraw/zinc/09/24/47/656092447.db2.gz PUBFZZIUWUHJLS-NSHDSACASA-N 1 1 284.360 -0.510 10 0 CBAEMO CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000189153272 656097361 /nfs/dbraw/zinc/09/73/61/656097361.db2.gz FBKMOTNGKIVUGV-STQMWFEESA-N 1 1 283.372 -0.402 10 0 CBAEMO CO[C@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000189153272 656097367 /nfs/dbraw/zinc/09/73/67/656097367.db2.gz FBKMOTNGKIVUGV-STQMWFEESA-N 1 1 283.372 -0.402 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1CO ZINC000190842315 656099208 /nfs/dbraw/zinc/09/92/08/656099208.db2.gz HSNBILYWHFLWLB-OLZOCXBDSA-N 1 1 298.383 -0.088 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CO ZINC000190900196 656099835 /nfs/dbraw/zinc/09/98/35/656099835.db2.gz LRLPSZHOBDEXRN-WOPDTQHZSA-N 1 1 256.346 -0.206 10 0 CBAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CCO1 ZINC000227571403 656108778 /nfs/dbraw/zinc/10/87/78/656108778.db2.gz RHZSGNZOMSPWDW-RYUDHWBXSA-N 1 1 256.346 -0.062 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CCO1 ZINC000227571399 656109035 /nfs/dbraw/zinc/10/90/35/656109035.db2.gz RHZSGNZOMSPWDW-NEPJUHHUSA-N 1 1 256.346 -0.062 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228699349 656110374 /nfs/dbraw/zinc/11/03/74/656110374.db2.gz CKNWIDYVZVETJI-IUCAKERBSA-N 1 1 271.317 -0.427 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228698303 656110430 /nfs/dbraw/zinc/11/04/30/656110430.db2.gz WJABKAYGCSGQIT-UWVGGRQHSA-N 1 1 285.344 -0.037 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000245723157 656118578 /nfs/dbraw/zinc/11/85/78/656118578.db2.gz HVHJWMJSPIIGPR-BDAKNGLRSA-N 1 1 268.317 -0.095 10 0 CBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000245723157 656118582 /nfs/dbraw/zinc/11/85/82/656118582.db2.gz HVHJWMJSPIIGPR-BDAKNGLRSA-N 1 1 268.317 -0.095 10 0 CBAEMO C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@@H]1N1CCOCC1 ZINC000246496651 656119337 /nfs/dbraw/zinc/11/93/37/656119337.db2.gz PRXMSQUSSQKVCX-WOPDTQHZSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@@H]1N1CCOCC1 ZINC000246496651 656119338 /nfs/dbraw/zinc/11/93/38/656119338.db2.gz PRXMSQUSSQKVCX-WOPDTQHZSA-N 1 1 254.330 -0.046 10 0 CBAEMO C[C@@H]1CN([C@H]2CCOC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000246496651 656119341 /nfs/dbraw/zinc/11/93/41/656119341.db2.gz PRXMSQUSSQKVCX-WOPDTQHZSA-N 1 1 254.330 -0.046 10 0 CBAEMO CO[C@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249268428 656120587 /nfs/dbraw/zinc/12/05/87/656120587.db2.gz ISKYEEVGVPLJQU-RYUDHWBXSA-N 1 1 253.346 -0.029 10 0 CBAEMO COCC[N@H+]1CCN(CN2C[C@@H](OC)CC2=O)C[C@@H]1C ZINC000248939618 656120796 /nfs/dbraw/zinc/12/07/96/656120796.db2.gz CLQZAUWMIAUDAJ-STQMWFEESA-N 1 1 285.388 -0.156 10 0 CBAEMO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)CN ZINC000261549161 656124527 /nfs/dbraw/zinc/12/45/27/656124527.db2.gz OHLBSAMPXWSEGU-LBPRGKRZSA-N 1 1 292.383 -0.302 10 0 CBAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNC(=O)CN ZINC000261549161 656124534 /nfs/dbraw/zinc/12/45/34/656124534.db2.gz OHLBSAMPXWSEGU-LBPRGKRZSA-N 1 1 292.383 -0.302 10 0 CBAEMO C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)N1CCOCC1 ZINC000262407233 656132495 /nfs/dbraw/zinc/13/24/95/656132495.db2.gz YXWGCDHIQHEZTB-UTUOFQBUSA-N 1 1 271.361 -0.800 10 0 CBAEMO C[NH+](C)C[C@H](N)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000705231771 656185027 /nfs/dbraw/zinc/18/50/27/656185027.db2.gz ZEBQEUXUSHYATG-NEPJUHHUSA-N 1 1 254.378 -0.428 10 0 CBAEMO COC[C@@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CNCCO1 ZINC000710755200 656200684 /nfs/dbraw/zinc/20/06/84/656200684.db2.gz MNTWVBWTNNOTQK-WCQYABFASA-N 1 1 271.361 -0.846 10 0 CBAEMO O=S(=O)(c1ccns1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000717686428 656229293 /nfs/dbraw/zinc/22/92/93/656229293.db2.gz BYSGRABXTXXCCY-DTWKUNHWSA-N 1 1 289.382 -0.106 10 0 CBAEMO O=C(N1C[C@@H](O)[C@H](n2ccnn2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000898383919 656299406 /nfs/dbraw/zinc/29/94/06/656299406.db2.gz ITJVMPMYPHMDIK-BZPMIXESSA-N 1 1 291.355 -0.492 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1=O ZINC000900412019 656308256 /nfs/dbraw/zinc/30/82/56/656308256.db2.gz OBRDETNUTMGTPH-NEPJUHHUSA-N 1 1 281.356 -0.460 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1=O ZINC000900412019 656308258 /nfs/dbraw/zinc/30/82/58/656308258.db2.gz OBRDETNUTMGTPH-NEPJUHHUSA-N 1 1 281.356 -0.460 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000907521941 656519673 /nfs/dbraw/zinc/51/96/73/656519673.db2.gz IINFNIKSAUREAI-BXUZGUMPSA-N 1 1 281.356 -0.822 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)O1 ZINC000909189397 656795343 /nfs/dbraw/zinc/79/53/43/656795343.db2.gz JENZFCZHMMISBH-SYLRKERUSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)O1 ZINC000909189397 656795347 /nfs/dbraw/zinc/79/53/47/656795347.db2.gz JENZFCZHMMISBH-SYLRKERUSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@H](C(=O)N1CCOC[C@@H]1CO)[NH+]1CCSCC1 ZINC000912419089 657257088 /nfs/dbraw/zinc/25/70/88/657257088.db2.gz ROVUUSZEDDFPGO-MNOVXSKESA-N 1 1 274.386 -0.357 10 0 CBAEMO C[C@H]1CN(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)O1 ZINC000912598768 657289433 /nfs/dbraw/zinc/28/94/33/657289433.db2.gz GCTFLHBVLUOSQH-RYUDHWBXSA-N 1 1 273.377 -0.912 10 0 CBAEMO C[C@@H](NC(N)=O)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913294316 657434867 /nfs/dbraw/zinc/43/48/67/657434867.db2.gz LBSANDUVUSPALL-WQAKAFBOSA-N 1 1 268.361 -0.157 10 0 CBAEMO C[C@@H](O)[C@@H](O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000929569899 659142241 /nfs/dbraw/zinc/14/22/41/659142241.db2.gz SJRBBOJULMGLPJ-OCCSQVGLSA-N 1 1 282.388 -0.331 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)[C@H](C)O)C[C@@H]1N1CCOCC1 ZINC000929851980 659181830 /nfs/dbraw/zinc/18/18/30/659181830.db2.gz FJHPUKKHRMIWPO-CRWXNKLISA-N 1 1 272.389 -0.229 10 0 CBAEMO COC(=O)/C=C(/C)C[N@@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000929998981 659194222 /nfs/dbraw/zinc/19/42/22/659194222.db2.gz GYRCMYGABJBCRO-VVEJJEBESA-N 1 1 267.285 -0.610 10 0 CBAEMO COC(=O)/C=C(/C)C[N@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000929998981 659194225 /nfs/dbraw/zinc/19/42/25/659194225.db2.gz GYRCMYGABJBCRO-VVEJJEBESA-N 1 1 267.285 -0.610 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000930773447 659339269 /nfs/dbraw/zinc/33/92/69/659339269.db2.gz DXYJLIPZHVVSIA-GMXVVIOVSA-N 1 1 274.361 -0.967 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nnn(C)n1 ZINC000932268976 659593095 /nfs/dbraw/zinc/59/30/95/659593095.db2.gz GHPSYCYIUDWEGD-BDAKNGLRSA-N 1 1 265.321 -0.090 10 0 CBAEMO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3cnc[nH]3)C[C@@H]2C1=O ZINC000096080640 185091684 /nfs/dbraw/zinc/09/16/84/185091684.db2.gz DTBRXZISPGAZPD-MNOVXSKESA-N 1 1 291.355 -0.498 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000128167259 187355859 /nfs/dbraw/zinc/35/58/59/187355859.db2.gz JAKOHHOKZOMLLN-GFCCVEGCSA-N 1 1 255.362 -0.535 10 0 CBAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104258755 185946428 /nfs/dbraw/zinc/94/64/28/185946428.db2.gz QSXWWPQRPZYPSG-HNJRMYHASA-N 1 1 255.318 -0.182 10 0 CBAEMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352066718 219308513 /nfs/dbraw/zinc/30/85/13/219308513.db2.gz CISNNDWPIWXLAC-NEPJUHHUSA-N 1 1 291.417 -0.717 10 0 CBAEMO CC[NH+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000105282874 186049728 /nfs/dbraw/zinc/04/97/28/186049728.db2.gz DHNTZIREADVISZ-GFCCVEGCSA-N 1 1 270.377 -0.336 10 0 CBAEMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798151 186072081 /nfs/dbraw/zinc/07/20/81/186072081.db2.gz UKBZSODNIUUPID-JTQLQIEISA-N 1 1 292.343 -0.428 10 0 CBAEMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798151 186072083 /nfs/dbraw/zinc/07/20/83/186072083.db2.gz UKBZSODNIUUPID-JTQLQIEISA-N 1 1 292.343 -0.428 10 0 CBAEMO COCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@@H]1C ZINC000105832566 186075634 /nfs/dbraw/zinc/07/56/34/186075634.db2.gz LQDDOOVQMRFGMI-VIFPVBQESA-N 1 1 281.364 -0.812 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000105831957 186077160 /nfs/dbraw/zinc/07/71/60/186077160.db2.gz BWJROCFCYCEGNE-CYBMUJFWSA-N 1 1 285.388 -0.502 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000105831957 186077161 /nfs/dbraw/zinc/07/71/61/186077161.db2.gz BWJROCFCYCEGNE-CYBMUJFWSA-N 1 1 285.388 -0.502 10 0 CBAEMO CS(=O)(=O)NCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000107303940 186169812 /nfs/dbraw/zinc/16/98/12/186169812.db2.gz XVOPOPYOEOUBMY-UHFFFAOYSA-N 1 1 299.400 -0.098 10 0 CBAEMO N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH3+] ZINC000032204697 351379049 /nfs/dbraw/zinc/37/90/49/351379049.db2.gz PLXVCVKECHOALJ-SNVBAGLBSA-N 1 1 252.274 -0.461 10 0 CBAEMO Nc1ncn(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000040326596 351414165 /nfs/dbraw/zinc/41/41/65/351414165.db2.gz QDBASPCORIUVMH-JTQLQIEISA-N 1 1 264.333 -0.443 10 0 CBAEMO CC(C)C(=O)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088370581 351723989 /nfs/dbraw/zinc/72/39/89/351723989.db2.gz XBYNNSXRRIXPIN-LLVKDONJSA-N 1 1 269.345 -0.698 10 0 CBAEMO O=C(NCCCCn1ccnc1)[C@H]1COCC[NH2+]1 ZINC000088372107 351725142 /nfs/dbraw/zinc/72/51/42/351725142.db2.gz COEKRCVXVGTUFS-LLVKDONJSA-N 1 1 252.318 -0.232 10 0 CBAEMO CCNC(=O)C[N@H+](CC)C[C@H](O)CN1CCCC1=O ZINC000111682517 351804812 /nfs/dbraw/zinc/80/48/12/351804812.db2.gz MRGOQNAKFFBJPK-NSHDSACASA-N 1 1 271.361 -0.572 10 0 CBAEMO CCNC(=O)C[N@@H+](CC)C[C@H](O)CN1CCCC1=O ZINC000111682517 351804815 /nfs/dbraw/zinc/80/48/15/351804815.db2.gz MRGOQNAKFFBJPK-NSHDSACASA-N 1 1 271.361 -0.572 10 0 CBAEMO COCC[N@H+]1CCN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC000111690398 351804839 /nfs/dbraw/zinc/80/48/39/351804839.db2.gz KBUCNIXASOICIF-KGLIPLIRSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC000111690398 351804845 /nfs/dbraw/zinc/80/48/45/351804845.db2.gz KBUCNIXASOICIF-KGLIPLIRSA-N 1 1 299.415 -0.378 10 0 CBAEMO COCCN1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC000111690398 351804849 /nfs/dbraw/zinc/80/48/49/351804849.db2.gz KBUCNIXASOICIF-KGLIPLIRSA-N 1 1 299.415 -0.378 10 0 CBAEMO CN1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000108575153 351797394 /nfs/dbraw/zinc/79/73/94/351797394.db2.gz OBEZPLNINKSOTM-QWHCGFSZSA-N 1 1 284.404 -0.042 10 0 CBAEMO CCC[N@H+](CC(=O)NC)C[C@@H](O)CN1CCCC1=O ZINC000111684773 351805300 /nfs/dbraw/zinc/80/53/00/351805300.db2.gz IGOQWEBLPNZVKM-LLVKDONJSA-N 1 1 271.361 -0.572 10 0 CBAEMO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCN(C)CC1 ZINC000111267341 351801658 /nfs/dbraw/zinc/80/16/58/351801658.db2.gz BKNIDZUGTFCCOF-VXGBXAGGSA-N 1 1 254.378 -0.795 10 0 CBAEMO Cc1cc(C)nc(S(=O)(=O)N2CC[NH2+]CC2)n1 ZINC000095068857 351766723 /nfs/dbraw/zinc/76/67/23/351766723.db2.gz AHEWGPADENQATQ-UHFFFAOYSA-N 1 1 256.331 -0.313 10 0 CBAEMO Cc1nccnc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000095069618 351767681 /nfs/dbraw/zinc/76/76/81/351767681.db2.gz SSUNCQNAVBTNOA-MRVPVSSYSA-N 1 1 256.331 -0.233 10 0 CBAEMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)nn1 ZINC000095069632 351767748 /nfs/dbraw/zinc/76/77/48/351767748.db2.gz GQERBQNGLAHKRQ-SECBINFHSA-N 1 1 256.331 -0.233 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)cn1 ZINC000116323740 351821392 /nfs/dbraw/zinc/82/13/92/351821392.db2.gz VWIGBPIWURSFNH-JTQLQIEISA-N 1 1 277.328 -0.239 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320279 351821833 /nfs/dbraw/zinc/82/18/33/351821833.db2.gz AFDDAKONDZZGNP-VIFPVBQESA-N 1 1 265.317 -0.335 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320279 351821836 /nfs/dbraw/zinc/82/18/36/351821836.db2.gz AFDDAKONDZZGNP-VIFPVBQESA-N 1 1 265.317 -0.335 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000117284927 351825022 /nfs/dbraw/zinc/82/50/22/351825022.db2.gz UBUFPQXDVULEJD-NSHDSACASA-N 1 1 296.371 -0.226 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000117284927 351825025 /nfs/dbraw/zinc/82/50/25/351825025.db2.gz UBUFPQXDVULEJD-NSHDSACASA-N 1 1 296.371 -0.226 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000133755103 351901141 /nfs/dbraw/zinc/90/11/41/351901141.db2.gz CCKQSSUVROULGQ-RYUDHWBXSA-N 1 1 298.387 -0.685 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nccc(N)n2)C[C@@H]1C ZINC000135049233 351910624 /nfs/dbraw/zinc/91/06/24/351910624.db2.gz XABBPUMWLUBSHA-WDEREUQCSA-N 1 1 265.361 -0.054 10 0 CBAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NN1CC(=O)NC1=O ZINC000171605807 352013531 /nfs/dbraw/zinc/01/35/31/352013531.db2.gz QMUWCAHOZUFIAM-LLVKDONJSA-N 1 1 290.323 -0.258 10 0 CBAEMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173929222 352041856 /nfs/dbraw/zinc/04/18/56/352041856.db2.gz SJJCEOLYXMUVQI-RYUDHWBXSA-N 1 1 255.362 -0.130 10 0 CBAEMO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000173847728 352042075 /nfs/dbraw/zinc/04/20/75/352042075.db2.gz USDOOZJGALXXFM-QWHCGFSZSA-N 1 1 295.383 -0.212 10 0 CBAEMO CC[C@H](O)CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000174079964 352044759 /nfs/dbraw/zinc/04/47/59/352044759.db2.gz ZEEADWNSCSCAPZ-KBPBESRZSA-N 1 1 282.388 -0.368 10 0 CBAEMO CC(=O)NCCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175618890 352058088 /nfs/dbraw/zinc/05/80/88/352058088.db2.gz WTFVTPHLUPKNRX-AAEUAGOBSA-N 1 1 298.387 -0.515 10 0 CBAEMO CC(=O)NCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175618923 352058312 /nfs/dbraw/zinc/05/83/12/352058312.db2.gz WTFVTPHLUPKNRX-WCQYABFASA-N 1 1 298.387 -0.515 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC000177013095 352070011 /nfs/dbraw/zinc/07/00/11/352070011.db2.gz ZFAHPQLKVIWBHL-SNVBAGLBSA-N 1 1 294.359 -0.680 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000171702278 352016059 /nfs/dbraw/zinc/01/60/59/352016059.db2.gz WBUBQTCDRHQPHH-GFCCVEGCSA-N 1 1 279.344 -0.226 10 0 CBAEMO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000171702278 352016062 /nfs/dbraw/zinc/01/60/62/352016062.db2.gz WBUBQTCDRHQPHH-GFCCVEGCSA-N 1 1 279.344 -0.226 10 0 CBAEMO O=C1CCCN1C[C@@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171884161 352017911 /nfs/dbraw/zinc/01/79/11/352017911.db2.gz KFIYTCGBKGPTHL-OLZOCXBDSA-N 1 1 267.373 -0.250 10 0 CBAEMO CCOC(=O)CN(C)C(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171930718 352018033 /nfs/dbraw/zinc/01/80/33/352018033.db2.gz BSXIUWRDTOKQIJ-GFCCVEGCSA-N 1 1 283.372 -0.212 10 0 CBAEMO CS(=O)(=O)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171893105 352018114 /nfs/dbraw/zinc/01/81/14/352018114.db2.gz WKFADTHENFENOD-JTQLQIEISA-N 1 1 275.374 -0.479 10 0 CBAEMO CS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171893105 352018116 /nfs/dbraw/zinc/01/81/16/352018116.db2.gz WKFADTHENFENOD-JTQLQIEISA-N 1 1 275.374 -0.479 10 0 CBAEMO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC000173643734 352039266 /nfs/dbraw/zinc/03/92/66/352039266.db2.gz HAEYKFLRQQELAM-NSHDSACASA-N 1 1 252.318 -0.259 10 0 CBAEMO CN(CC[N@@H+](C)C1CC1)C[C@H](O)CN1CCCC1=O ZINC000186776432 352131832 /nfs/dbraw/zinc/13/18/32/352131832.db2.gz XSWVMRZCEORAIH-ZDUSSCGKSA-N 1 1 269.389 -0.004 10 0 CBAEMO CN(CC[N@H+](C)C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000186776432 352131834 /nfs/dbraw/zinc/13/18/34/352131834.db2.gz XSWVMRZCEORAIH-ZDUSSCGKSA-N 1 1 269.389 -0.004 10 0 CBAEMO CN(CC[N@@H+](C)C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000186776432 352131836 /nfs/dbraw/zinc/13/18/36/352131836.db2.gz XSWVMRZCEORAIH-ZDUSSCGKSA-N 1 1 269.389 -0.004 10 0 CBAEMO Cn1cc(CN2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)cn1 ZINC000178199841 352077504 /nfs/dbraw/zinc/07/75/04/352077504.db2.gz TWQOVWAWJCLVGV-CYBMUJFWSA-N 1 1 277.372 -0.184 10 0 CBAEMO Cn1cc(CN2CCC[N@H+]([C@@H]3CCNC3=O)CC2)cn1 ZINC000178199841 352077506 /nfs/dbraw/zinc/07/75/06/352077506.db2.gz TWQOVWAWJCLVGV-CYBMUJFWSA-N 1 1 277.372 -0.184 10 0 CBAEMO CC[C@@H]1CN([C@@H]2CCNC2=O)CC[N@H+]1CCOC ZINC000178199215 352077584 /nfs/dbraw/zinc/07/75/84/352077584.db2.gz DJBVYSPEGUDZEO-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO CNC(=O)[C@H](NC(=O)NCC[N@@H+](C)CCOC)C(C)C ZINC000178436189 352079122 /nfs/dbraw/zinc/07/91/22/352079122.db2.gz QUOFFTUERRXDNG-LLVKDONJSA-N 1 1 288.392 -0.366 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000178812150 352083372 /nfs/dbraw/zinc/08/33/72/352083372.db2.gz ZCWHMMMDRITGCY-NXEZZACHSA-N 1 1 265.379 -0.772 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000178812150 352083373 /nfs/dbraw/zinc/08/33/73/352083373.db2.gz ZCWHMMMDRITGCY-NXEZZACHSA-N 1 1 265.379 -0.772 10 0 CBAEMO CCS(=O)(=O)NCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179342736 352089167 /nfs/dbraw/zinc/08/91/67/352089167.db2.gz NQENWQABDXAUHW-SNVBAGLBSA-N 1 1 275.374 -0.768 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)OC ZINC000180839578 352096698 /nfs/dbraw/zinc/09/66/98/352096698.db2.gz QLICVKIDCBTVEJ-VXGBXAGGSA-N 1 1 283.372 -0.166 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCn2cccn2)CC1 ZINC000181769333 352101230 /nfs/dbraw/zinc/10/12/30/352101230.db2.gz RKLWGADTYVFJFV-ZDUSSCGKSA-N 1 1 295.387 -0.019 10 0 CBAEMO CC(=O)NCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185227140 352117563 /nfs/dbraw/zinc/11/75/63/352117563.db2.gz FQSKXJKPPXZTRL-WDEREUQCSA-N 1 1 286.376 -0.781 10 0 CBAEMO C[C@H]1C(=O)NCCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000189309021 352167430 /nfs/dbraw/zinc/16/74/30/352167430.db2.gz JBWDYBNUHZJYIF-QMMMGPOBSA-N 1 1 256.306 -0.828 10 0 CBAEMO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000189988667 352176359 /nfs/dbraw/zinc/17/63/59/352176359.db2.gz UASHPLLNOGKSGU-AWEZNQCLSA-N 1 1 295.339 -0.389 10 0 CBAEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000189988667 352176362 /nfs/dbraw/zinc/17/63/62/352176362.db2.gz UASHPLLNOGKSGU-AWEZNQCLSA-N 1 1 295.339 -0.389 10 0 CBAEMO CCN1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1=O ZINC000190229927 352178392 /nfs/dbraw/zinc/17/83/92/352178392.db2.gz JGHRAEJIZAVFKZ-GFCCVEGCSA-N 1 1 283.372 -0.476 10 0 CBAEMO CCN1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)CC1=O ZINC000190229927 352178393 /nfs/dbraw/zinc/17/83/93/352178393.db2.gz JGHRAEJIZAVFKZ-GFCCVEGCSA-N 1 1 283.372 -0.476 10 0 CBAEMO CCN1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1=O ZINC000190229910 352179042 /nfs/dbraw/zinc/17/90/42/352179042.db2.gz JGHRAEJIZAVFKZ-LBPRGKRZSA-N 1 1 283.372 -0.476 10 0 CBAEMO CCN1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1=O ZINC000190229910 352179043 /nfs/dbraw/zinc/17/90/43/352179043.db2.gz JGHRAEJIZAVFKZ-LBPRGKRZSA-N 1 1 283.372 -0.476 10 0 CBAEMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188207668 352148892 /nfs/dbraw/zinc/14/88/92/352148892.db2.gz RJCDQYBTDVQXKC-SNVBAGLBSA-N 1 1 290.389 -0.975 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000195182068 352222562 /nfs/dbraw/zinc/22/25/62/352222562.db2.gz QVALBLFLUKVMEI-VXGBXAGGSA-N 1 1 271.361 -0.127 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000195182068 352222565 /nfs/dbraw/zinc/22/25/65/352222565.db2.gz QVALBLFLUKVMEI-VXGBXAGGSA-N 1 1 271.361 -0.127 10 0 CBAEMO CN(CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000195339096 352226197 /nfs/dbraw/zinc/22/61/97/352226197.db2.gz RUXVMGNQSKMKQS-SNVBAGLBSA-N 1 1 275.374 -0.816 10 0 CBAEMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCO)C1 ZINC000227571059 352257995 /nfs/dbraw/zinc/25/79/95/352257995.db2.gz XWIUPHKZNZYKJQ-ZJUUUORDSA-N 1 1 257.334 -0.075 10 0 CBAEMO CCN(CC(C)(O)O)[C@@H](O)C[N@@H+](CC)C[C@@H](C)O ZINC000230516106 352273614 /nfs/dbraw/zinc/27/36/14/352273614.db2.gz LELFURRFUGDSSE-MNOVXSKESA-N 1 1 264.366 -0.970 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000236900313 352295691 /nfs/dbraw/zinc/29/56/91/352295691.db2.gz LMZVXVSXPHDKIY-RYUDHWBXSA-N 1 1 256.394 -0.134 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245429651 352320171 /nfs/dbraw/zinc/32/01/71/352320171.db2.gz KVRRMEDTLXEDJG-WDEREUQCSA-N 1 1 291.417 -0.133 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1C ZINC000245994048 352326488 /nfs/dbraw/zinc/32/64/88/352326488.db2.gz HDKLRRPSOAGLSD-RYUDHWBXSA-N 1 1 283.372 -0.308 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1C ZINC000245994048 352326490 /nfs/dbraw/zinc/32/64/90/352326490.db2.gz HDKLRRPSOAGLSD-RYUDHWBXSA-N 1 1 283.372 -0.308 10 0 CBAEMO CC[C@H]1CN(CCOCCO)CC[N@H+]1C[C@H](C)O ZINC000246191225 352329517 /nfs/dbraw/zinc/32/95/17/352329517.db2.gz MBDZONKAUZMVLB-STQMWFEESA-N 1 1 260.378 -0.228 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000246298118 352331180 /nfs/dbraw/zinc/33/11/80/352331180.db2.gz CWFBGLIROXXGSR-RDBSUJKOSA-N 1 1 298.383 -0.151 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000246298118 352331182 /nfs/dbraw/zinc/33/11/82/352331182.db2.gz CWFBGLIROXXGSR-RDBSUJKOSA-N 1 1 298.383 -0.151 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246428626 352332503 /nfs/dbraw/zinc/33/25/03/352332503.db2.gz LBWGYWYXNPOWMU-ZIAGYGMSSA-N 1 1 297.399 -0.502 10 0 CBAEMO C[C@H]1CN(c2nccn(C)c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246517693 352335103 /nfs/dbraw/zinc/33/51/03/352335103.db2.gz OHNSWCTWHMHDRA-NWDGAFQWSA-N 1 1 278.356 -0.063 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000246553734 352335208 /nfs/dbraw/zinc/33/52/08/352335208.db2.gz WEXWDQYLCBFOAH-GHMZBOCLSA-N 1 1 268.361 -0.144 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246758550 352338858 /nfs/dbraw/zinc/33/88/58/352338858.db2.gz OMBCJGVUGMCSMM-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO CCOCCOCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246758550 352338859 /nfs/dbraw/zinc/33/88/59/352338859.db2.gz OMBCJGVUGMCSMM-STQMWFEESA-N 1 1 288.388 -0.047 10 0 CBAEMO CN1CC[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246907728 352339617 /nfs/dbraw/zinc/33/96/17/352339617.db2.gz IDGWMODFIHGFBM-VXGBXAGGSA-N 1 1 253.346 -0.376 10 0 CBAEMO O[C@@H](CN1CCOCC1)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246928612 352340104 /nfs/dbraw/zinc/34/01/04/352340104.db2.gz SXJKBINNDSFOGD-GJZGRUSLSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246928612 352340107 /nfs/dbraw/zinc/34/01/07/352340107.db2.gz SXJKBINNDSFOGD-GJZGRUSLSA-N 1 1 283.416 -0.150 10 0 CBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000246928612 352340109 /nfs/dbraw/zinc/34/01/09/352340109.db2.gz SXJKBINNDSFOGD-GJZGRUSLSA-N 1 1 283.416 -0.150 10 0 CBAEMO COC(=O)CNC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247218386 352344994 /nfs/dbraw/zinc/34/49/94/352344994.db2.gz QIJWWHMEVOLFSV-JTQLQIEISA-N 1 1 255.318 -0.944 10 0 CBAEMO O[C@@H](CN1CCOCC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000247377992 352345632 /nfs/dbraw/zinc/34/56/32/352345632.db2.gz VOGAEJIKFYZFHW-KGLIPLIRSA-N 1 1 269.389 -0.541 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)NCC(=O)N1CCCC1 ZINC000247371186 352345758 /nfs/dbraw/zinc/34/57/58/352345758.db2.gz UTDHBAXPUIVUJO-ZDUSSCGKSA-N 1 1 294.399 -0.495 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000247549031 352347580 /nfs/dbraw/zinc/34/75/80/352347580.db2.gz ZDKWJDMOCCEIHD-MNOVXSKESA-N 1 1 289.401 -0.379 10 0 CBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000248994366 352359494 /nfs/dbraw/zinc/35/94/94/352359494.db2.gz KCXIQWUBULJIDV-WDEREUQCSA-N 1 1 298.387 -0.964 10 0 CBAEMO C[C@H]1CN2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1 ZINC000251933897 352376137 /nfs/dbraw/zinc/37/61/37/352376137.db2.gz YYRQCWUMOAXGCK-KBPBESRZSA-N 1 1 280.416 -0.023 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CCO)C1 ZINC000252895034 352380991 /nfs/dbraw/zinc/38/09/91/352380991.db2.gz XWIUPHKZNZYKJQ-VHSXEESVSA-N 1 1 257.334 -0.075 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253075356 352381851 /nfs/dbraw/zinc/38/18/51/352381851.db2.gz QITQKVFLDTZQRA-UWVGGRQHSA-N 1 1 255.318 -0.817 10 0 CBAEMO Cc1cc(C[N@H+]2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)n(C)n1 ZINC000253394714 352382165 /nfs/dbraw/zinc/38/21/65/352382165.db2.gz AFMXYTQGPPCSMB-WCQYABFASA-N 1 1 280.372 -0.143 10 0 CBAEMO CC(C)C(=O)NCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261917191 352400693 /nfs/dbraw/zinc/40/06/93/352400693.db2.gz JUUUIZPSJBZVCO-ZJUUUORDSA-N 1 1 257.334 -0.748 10 0 CBAEMO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000261934755 352400723 /nfs/dbraw/zinc/40/07/23/352400723.db2.gz MCPXFZFODHYOOK-HMUNZLOLSA-N 1 1 281.356 -0.511 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 ZINC000261572524 352388551 /nfs/dbraw/zinc/38/85/51/352388551.db2.gz LRAYWRCTMJYULE-OUAUKWLOSA-N 1 1 251.330 -0.196 10 0 CBAEMO CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CCN1C[C@H](C)O ZINC000261851608 352398746 /nfs/dbraw/zinc/39/87/46/352398746.db2.gz MJZPZMAXWVXCLY-STQMWFEESA-N 1 1 299.415 -0.202 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000262209280 352410279 /nfs/dbraw/zinc/41/02/79/352410279.db2.gz ITAUTESUEQIZBF-PTRXPTGYSA-N 1 1 267.329 -0.757 10 0 CBAEMO COC[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000262293339 352414157 /nfs/dbraw/zinc/41/41/57/352414157.db2.gz NDUULIPNGWNAPB-GFCCVEGCSA-N 1 1 255.362 -0.049 10 0 CBAEMO COC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262344572 352417210 /nfs/dbraw/zinc/41/72/10/352417210.db2.gz TUWCDFFDNSRKNE-VXGBXAGGSA-N 1 1 255.362 -0.096 10 0 CBAEMO COC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262344566 352417334 /nfs/dbraw/zinc/41/73/34/352417334.db2.gz TUWCDFFDNSRKNE-NWDGAFQWSA-N 1 1 255.362 -0.096 10 0 CBAEMO COC(=O)C(C)(C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262390809 352420403 /nfs/dbraw/zinc/42/04/03/352420403.db2.gz XWHOYPYVPQYTFQ-BDAKNGLRSA-N 1 1 258.318 -0.321 10 0 CBAEMO C[C@H](O)C1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262019150 352403350 /nfs/dbraw/zinc/40/33/50/352403350.db2.gz WJRIIDKYIPKOBQ-UMNHJUIQSA-N 1 1 256.346 -0.017 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@@H+]1CCOC ZINC000262119200 352407464 /nfs/dbraw/zinc/40/74/64/352407464.db2.gz FTUTWOZFAMGTCC-MCIONIFRSA-N 1 1 299.415 -0.068 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1CCOC ZINC000262119200 352407468 /nfs/dbraw/zinc/40/74/68/352407468.db2.gz FTUTWOZFAMGTCC-MCIONIFRSA-N 1 1 299.415 -0.068 10 0 CBAEMO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299752969 352729107 /nfs/dbraw/zinc/72/91/07/352729107.db2.gz WGJWTVCCRMQRGP-PWSUYJOCSA-N 1 1 285.388 -0.295 10 0 CBAEMO Cc1ccnc(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)n1 ZINC000301298853 352736628 /nfs/dbraw/zinc/73/66/28/352736628.db2.gz ZGMKQNWIAUYXEA-ZDUSSCGKSA-N 1 1 279.388 -0.170 10 0 CBAEMO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312752879 352775709 /nfs/dbraw/zinc/77/57/09/352775709.db2.gz ZLTSOCZSGJHZME-COPLHBTASA-N 1 1 285.388 -0.008 10 0 CBAEMO [NH3+]C[C@H](O)CNc1nc[nH]c(=O)c1Br ZINC000307249754 352753528 /nfs/dbraw/zinc/75/35/28/352753528.db2.gz OVVSQHSIFCCAIO-BYPYZUCNSA-N 1 1 263.095 -0.324 10 0 CBAEMO CN(C)[C@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000310805408 352761721 /nfs/dbraw/zinc/76/17/21/352761721.db2.gz BFGZDLWXUKGHFJ-QWHCGFSZSA-N 1 1 257.378 -0.685 10 0 CBAEMO CN(C)[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000310805408 352761725 /nfs/dbraw/zinc/76/17/25/352761725.db2.gz BFGZDLWXUKGHFJ-QWHCGFSZSA-N 1 1 257.378 -0.685 10 0 CBAEMO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311054795 352765146 /nfs/dbraw/zinc/76/51/46/352765146.db2.gz VPJULKQWVOFKAA-JOYOIKCWSA-N 1 1 256.302 -0.750 10 0 CBAEMO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311054795 352765147 /nfs/dbraw/zinc/76/51/47/352765147.db2.gz VPJULKQWVOFKAA-JOYOIKCWSA-N 1 1 256.302 -0.750 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000311162336 352766124 /nfs/dbraw/zinc/76/61/24/352766124.db2.gz PVFOGGSQBQMESK-STQMWFEESA-N 1 1 260.378 -0.370 10 0 CBAEMO CN(C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000311253970 352767494 /nfs/dbraw/zinc/76/74/94/352767494.db2.gz GKTFAOWCDLUJCV-ZIAGYGMSSA-N 1 1 271.405 -0.437 10 0 CBAEMO CN(C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000311253970 352767497 /nfs/dbraw/zinc/76/74/97/352767497.db2.gz GKTFAOWCDLUJCV-ZIAGYGMSSA-N 1 1 271.405 -0.437 10 0 CBAEMO CCN1CCC[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000311889777 352771239 /nfs/dbraw/zinc/77/12/39/352771239.db2.gz DAILJWCKNLIRPB-NWDGAFQWSA-N 1 1 291.417 -0.622 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336812502 353058564 /nfs/dbraw/zinc/05/85/64/353058564.db2.gz RLPFFKROAVHUNP-WCQYABFASA-N 1 1 274.361 -0.524 10 0 CBAEMO O=S1(=O)CCCN1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336715148 353048853 /nfs/dbraw/zinc/04/88/53/353048853.db2.gz UHYCGGQOCDHPDQ-NSHDSACASA-N 1 1 262.375 -0.274 10 0 CBAEMO C[C@H]1COC[C@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000262254429 290980979 /nfs/dbraw/zinc/98/09/79/290980979.db2.gz XBHIBFIXTSOQBW-RYUDHWBXSA-N 1 1 255.362 -0.083 10 0 CBAEMO CN(CC(=O)N1CCC[C@H]([NH3+])C1)c1ncnc2[nH]cnc21 ZINC000158541238 188380461 /nfs/dbraw/zinc/38/04/61/188380461.db2.gz ZUNGDYXCQJXKBG-VIFPVBQESA-N 1 1 289.343 -0.261 10 0 CBAEMO CO[C@]1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCOC1 ZINC000356512588 353598047 /nfs/dbraw/zinc/59/80/47/353598047.db2.gz ISSZUXOWBJAVAW-CQSZACIVSA-N 1 1 286.372 -0.293 10 0 CBAEMO C[C@](O)(C[N@H+]1CCC[C@](O)(C(N)=O)C1)C(F)(F)F ZINC000375465166 353761145 /nfs/dbraw/zinc/76/11/45/353761145.db2.gz HCLBVUMAASPKRE-DTWKUNHWSA-N 1 1 270.251 -0.388 10 0 CBAEMO CCCCNC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375487819 353761239 /nfs/dbraw/zinc/76/12/39/353761239.db2.gz RUBIZJUCOHDMJR-LBPRGKRZSA-N 1 1 257.334 -0.785 10 0 CBAEMO CCCCNC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000375487819 353761240 /nfs/dbraw/zinc/76/12/40/353761240.db2.gz RUBIZJUCOHDMJR-LBPRGKRZSA-N 1 1 257.334 -0.785 10 0 CBAEMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000375495673 353761599 /nfs/dbraw/zinc/76/15/99/353761599.db2.gz ACFLJJCATYLIKC-SMDDNHRTSA-N 1 1 283.372 -0.300 10 0 CBAEMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H]1O ZINC000380673948 353783447 /nfs/dbraw/zinc/78/34/47/353783447.db2.gz CJPFRTQVDYRKKB-ZJUUUORDSA-N 1 1 250.364 -0.420 10 0 CBAEMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000398942311 353797690 /nfs/dbraw/zinc/79/76/90/353797690.db2.gz KILWALRLNREGSZ-GHMZBOCLSA-N 1 1 269.345 -0.651 10 0 CBAEMO C[C@H]1C[C@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000401726428 353803096 /nfs/dbraw/zinc/80/30/96/353803096.db2.gz BMSISUXMWQLNIT-WPRPVWTQSA-N 1 1 255.318 -0.323 10 0 CBAEMO Cn1cc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000404192148 353806043 /nfs/dbraw/zinc/80/60/43/353806043.db2.gz LPVNCHJJPJSLOE-QWRGUYRKSA-N 1 1 286.357 -0.829 10 0 CBAEMO O=S(=O)(c1cccnc1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404212374 353806375 /nfs/dbraw/zinc/80/63/75/353806375.db2.gz WNQQXEWNGRGTMG-NWDGAFQWSA-N 1 1 283.353 -0.167 10 0 CBAEMO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C1 ZINC000389093386 353790621 /nfs/dbraw/zinc/79/06/21/353790621.db2.gz CVEDMEQXAJCHDH-SNVBAGLBSA-N 1 1 293.389 -0.590 10 0 CBAEMO CC(C)(C(=O)N1CCN2CCC1CC2)N1CC[NH2+]CC1 ZINC000567732068 354795298 /nfs/dbraw/zinc/79/52/98/354795298.db2.gz NXTYOIBHPFNQFU-UHFFFAOYSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[NH+](C)C[C@@H](O)CNC[C@H](O)COCc1ccco1 ZINC000572763003 354897141 /nfs/dbraw/zinc/89/71/41/354897141.db2.gz MZSCZIULIDYMAY-RYUDHWBXSA-N 1 1 272.345 -0.331 10 0 CBAEMO CCOC(=O)[C@@H](/C=C/C[C@H]([NH3+])C(=O)OCC)NC(C)=O ZINC000584632568 355033510 /nfs/dbraw/zinc/03/35/10/355033510.db2.gz PHQNSHGWWAZZLV-YBFGJNSCSA-N 1 1 286.328 -0.109 10 0 CBAEMO CCOC(=O)[C@H]([NH3+])C/C=C/[C@@H](NC(C)=O)C(=O)OCC ZINC000584632559 355033564 /nfs/dbraw/zinc/03/35/64/355033564.db2.gz PHQNSHGWWAZZLV-AQKAQLFCSA-N 1 1 286.328 -0.109 10 0 CBAEMO COC(=O)[C@@](C)(O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000588960264 355063868 /nfs/dbraw/zinc/06/38/68/355063868.db2.gz VLHMNCUOAHJBGO-JQWIXIFHSA-N 1 1 260.334 -0.827 10 0 CBAEMO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000593911851 355229104 /nfs/dbraw/zinc/22/91/04/355229104.db2.gz OCDGBYNBZPQCNJ-UWVGGRQHSA-N 1 1 256.302 -0.614 10 0 CBAEMO CC(C)(C)OC(=O)NC[C@H]1CN(C(N)=O)CC[NH2+]1 ZINC000616653056 356106683 /nfs/dbraw/zinc/10/66/83/356106683.db2.gz GWMQILUASGEVPF-QMMMGPOBSA-N 1 1 258.322 -0.136 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2F)C1 ZINC000616655061 356107020 /nfs/dbraw/zinc/10/70/20/356107020.db2.gz SWOFMLQRSYUBPN-SNVBAGLBSA-N 1 1 259.306 -0.025 10 0 CBAEMO CC(C)(C)OC(=O)NCCN1CCNC[C@@H]1C[NH3+] ZINC000616636152 356103564 /nfs/dbraw/zinc/10/35/64/356103564.db2.gz LCQIDGZEQIMYII-JTQLQIEISA-N 1 1 258.366 -0.256 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@H](C(F)F)CC1 ZINC000634752312 357133434 /nfs/dbraw/zinc/13/34/34/357133434.db2.gz JIFSWZWESGTFMX-IUCAKERBSA-N 1 1 264.272 -0.143 10 0 CBAEMO Cn1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)nn1 ZINC000329298784 202272341 /nfs/dbraw/zinc/27/23/41/202272341.db2.gz UNYVBNMLQSJLEM-LBPRGKRZSA-N 1 1 251.334 -0.232 10 0 CBAEMO Cn1cc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)nn1 ZINC000329298784 202272344 /nfs/dbraw/zinc/27/23/44/202272344.db2.gz UNYVBNMLQSJLEM-LBPRGKRZSA-N 1 1 251.334 -0.232 10 0 CBAEMO Cn1cc(CNC[C@H]2C[N@H+](C3CC3)CCO2)nn1 ZINC000329298784 202272347 /nfs/dbraw/zinc/27/23/47/202272347.db2.gz UNYVBNMLQSJLEM-LBPRGKRZSA-N 1 1 251.334 -0.232 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000261897439 291210207 /nfs/dbraw/zinc/21/02/07/291210207.db2.gz ABALZYKNDRZLCW-ZDCRXTMVSA-N 1 1 290.385 -0.603 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCn2ccnc2)CC1 ZINC000181527972 189299719 /nfs/dbraw/zinc/29/97/19/189299719.db2.gz JLUDUOQSNMVYDM-ZDUSSCGKSA-N 1 1 295.387 -0.019 10 0 CBAEMO C[N@H+]1CCO[C@H]2CN(c3nnc(Cl)cc3C(N)=O)C[C@H]21 ZINC000301659315 201120774 /nfs/dbraw/zinc/12/07/74/201120774.db2.gz MCQFDELRYYTECX-BDAKNGLRSA-N 1 1 297.746 -0.252 10 0 CBAEMO CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184737835 189394372 /nfs/dbraw/zinc/39/43/72/189394372.db2.gz UHKASAFQNMMUCW-MNOVXSKESA-N 1 1 268.313 -0.335 10 0 CBAEMO CN(Cc1ccco1)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184737835 189394373 /nfs/dbraw/zinc/39/43/73/189394373.db2.gz UHKASAFQNMMUCW-MNOVXSKESA-N 1 1 268.313 -0.335 10 0 CBAEMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249837551 296140773 /nfs/dbraw/zinc/14/07/73/296140773.db2.gz TUJLOWNCPSPSFH-ZJUUUORDSA-N 1 1 275.374 -0.769 10 0 CBAEMO C[C@@](O)(C[N@H+]1CC[C@@](O)(C(N)=O)C1)c1ccccc1 ZINC000276502444 193358929 /nfs/dbraw/zinc/35/89/29/193358929.db2.gz XXUPQTIVLWOAPJ-KGLIPLIRSA-N 1 1 264.325 -0.184 10 0 CBAEMO [NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12 ZINC000001851879 372753148 /nfs/dbraw/zinc/75/31/48/372753148.db2.gz ACIOXMJZEFKYHZ-BXKDBHETSA-O 1 1 292.340 -0.445 10 0 in-vitro CBAEMO CCOC[C@@H](O)CN1CC[NH+](CCC(=O)OC)CC1 ZINC000113164013 372790066 /nfs/dbraw/zinc/79/00/66/372790066.db2.gz SOTBOVXPBOTWQU-LBPRGKRZSA-N 1 1 274.361 -0.436 10 0 CBAEMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000094463775 372775981 /nfs/dbraw/zinc/77/59/81/372775981.db2.gz KRIQHZLXVQJUOV-NWDGAFQWSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000094463775 372775989 /nfs/dbraw/zinc/77/59/89/372775989.db2.gz KRIQHZLXVQJUOV-NWDGAFQWSA-N 1 1 280.372 -0.887 10 0 CBAEMO CC(C)(NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173575101 372832842 /nfs/dbraw/zinc/83/28/42/372832842.db2.gz YTKWJAKOCKVYBT-SNVBAGLBSA-N 1 1 289.401 -0.379 10 0 CBAEMO COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247492415 372887206 /nfs/dbraw/zinc/88/72/06/372887206.db2.gz UHVHZXBPVSSCGM-NEPJUHHUSA-N 1 1 291.417 -0.022 10 0 CBAEMO C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@@H](C)N1CCOCC1 ZINC000262383657 372908295 /nfs/dbraw/zinc/90/82/95/372908295.db2.gz XFPMMXMTLPDMQX-LPWJVIDDSA-N 1 1 285.388 -0.411 10 0 CBAEMO C[C@@H]1COC[C@@H](C)N1CCC(=O)N1CC[NH2+]CC1 ZINC000262254431 372909605 /nfs/dbraw/zinc/90/96/05/372909605.db2.gz XBHIBFIXTSOQBW-VXGBXAGGSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4n[nH]cc43)C[C@@H]21 ZINC000301671642 372965350 /nfs/dbraw/zinc/96/53/50/372965350.db2.gz QPFKPDROTCTEMY-VHSXEESVSA-N 1 1 260.301 -0.128 10 0 CBAEMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000336793904 373023479 /nfs/dbraw/zinc/02/34/79/373023479.db2.gz YWAZPSHQCLXNNO-PWSUYJOCSA-N 1 1 260.334 -0.916 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CCCN2CCOCC2)C1 ZINC000344711574 373060001 /nfs/dbraw/zinc/06/00/01/373060001.db2.gz LOPCVPUXJMFQBE-CHWSQXEVSA-N 1 1 258.362 -0.210 10 0 CBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NC1CCCCC1 ZINC000360488784 373199831 /nfs/dbraw/zinc/19/98/31/373199831.db2.gz DOVTULXSKCQQPX-NEPJUHHUSA-N 1 1 256.346 -0.137 10 0 CBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NC1CCCCC1 ZINC000360488784 373199836 /nfs/dbraw/zinc/19/98/36/373199836.db2.gz DOVTULXSKCQQPX-NEPJUHHUSA-N 1 1 256.346 -0.137 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344897326 217349129 /nfs/dbraw/zinc/34/91/29/217349129.db2.gz PNMDXXVLAZSDRF-IVZWLZJFSA-N 1 1 273.333 -0.698 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344897326 217349133 /nfs/dbraw/zinc/34/91/33/217349133.db2.gz PNMDXXVLAZSDRF-IVZWLZJFSA-N 1 1 273.333 -0.698 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000344897994 217349794 /nfs/dbraw/zinc/34/97/94/217349794.db2.gz JADXWYUUCYVVKF-WDEREUQCSA-N 1 1 280.390 -0.651 10 0 CBAEMO CCO[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000644428846 374563463 /nfs/dbraw/zinc/56/34/63/374563463.db2.gz DFUDXJYGIYJALO-OLZOCXBDSA-N 1 1 272.345 -0.635 10 0 CBAEMO C[NH2+][C@@H](C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)c1cnn(C)c1 ZINC000262016672 190047297 /nfs/dbraw/zinc/04/72/97/190047297.db2.gz CLWBZRHWGBXEEZ-DGCLKSJQSA-N 1 1 293.371 -0.194 10 0 CBAEMO CN[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000262359002 190053591 /nfs/dbraw/zinc/05/35/91/190053591.db2.gz KCARRKKPWBSVQC-NWDGAFQWSA-N 1 1 265.361 -0.109 10 0 CBAEMO C[NH2+][C@H](C(=O)NCCN1CCSCC1)c1cnn(C)c1 ZINC000262435745 190054955 /nfs/dbraw/zinc/05/49/55/190054955.db2.gz UJKGRQIXCUQRTP-LBPRGKRZSA-N 1 1 297.428 -0.154 10 0 CBAEMO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)COC ZINC000262283316 285036892 /nfs/dbraw/zinc/03/68/92/285036892.db2.gz LZIQYHJZKOAGSL-WDEREUQCSA-N 1 1 259.350 -0.813 10 0 CBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)COC ZINC000262283316 285036895 /nfs/dbraw/zinc/03/68/95/285036895.db2.gz LZIQYHJZKOAGSL-WDEREUQCSA-N 1 1 259.350 -0.813 10 0 CBAEMO O=C1NC(=O)N2CC[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000328682564 296355746 /nfs/dbraw/zinc/35/57/46/296355746.db2.gz VRYMKCXHEWYFQJ-NXEZZACHSA-N 1 1 278.312 -0.174 10 0 CBAEMO O=C1NC(=O)N2CC[N@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000328682564 296355747 /nfs/dbraw/zinc/35/57/47/296355747.db2.gz VRYMKCXHEWYFQJ-NXEZZACHSA-N 1 1 278.312 -0.174 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000184208272 285067123 /nfs/dbraw/zinc/06/71/23/285067123.db2.gz MRXOHASUJJHOAA-WDEREUQCSA-N 1 1 259.350 -0.271 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NC(=O)NC ZINC000175349089 285239155 /nfs/dbraw/zinc/23/91/55/285239155.db2.gz TZEYWTKTNLKIOI-SNVBAGLBSA-N 1 1 256.350 -0.142 10 0 CBAEMO COC[C@@H]1C[C@H](OC)C[N@@H+]1CCNS(C)(=O)=O ZINC000344520515 285312331 /nfs/dbraw/zinc/31/23/31/285312331.db2.gz ALFNXJNXTBVBOM-UWVGGRQHSA-N 1 1 266.363 -0.729 10 0 CBAEMO COC[C@@H]1C[C@H](OC)C[N@H+]1CCNS(C)(=O)=O ZINC000344520515 285312332 /nfs/dbraw/zinc/31/23/32/285312332.db2.gz ALFNXJNXTBVBOM-UWVGGRQHSA-N 1 1 266.363 -0.729 10 0 CBAEMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(NN)nc2)CC1 ZINC000020552356 171247943 /nfs/dbraw/zinc/24/79/43/171247943.db2.gz VQFGCYVRJZSQGN-UHFFFAOYSA-N 1 1 285.373 -0.307 10 0 CBAEMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(NN)nc2)CC1 ZINC000020552356 171247944 /nfs/dbraw/zinc/24/79/44/171247944.db2.gz VQFGCYVRJZSQGN-UHFFFAOYSA-N 1 1 285.373 -0.307 10 0 CBAEMO NC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000284959430 196165793 /nfs/dbraw/zinc/16/57/93/196165793.db2.gz JNFOMHJNFZLDOD-HIFRSBDPSA-N 1 1 294.351 -0.514 10 0 CBAEMO C[C@@H](NCCNS(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000037221750 173042371 /nfs/dbraw/zinc/04/23/71/173042371.db2.gz SOOJCEOBKBTHEP-MNOVXSKESA-N 1 1 263.407 -0.145 10 0 CBAEMO C[C@@H](NCCNS(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000037221750 173042373 /nfs/dbraw/zinc/04/23/73/173042373.db2.gz SOOJCEOBKBTHEP-MNOVXSKESA-N 1 1 263.407 -0.145 10 0 CBAEMO CC[N@H+]1CC[C@H](CNC(=O)Cn2cnc(N)n2)C1 ZINC000038038858 174039534 /nfs/dbraw/zinc/03/95/34/174039534.db2.gz OKLKAVXBIRWEBP-SECBINFHSA-N 1 1 252.322 -0.682 10 0 CBAEMO COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000038101858 174118045 /nfs/dbraw/zinc/11/80/45/174118045.db2.gz VWHBABOKZJLUNF-DTWKUNHWSA-N 1 1 271.317 -0.867 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cc(N)cn1 ZINC000071187610 176060760 /nfs/dbraw/zinc/06/07/60/176060760.db2.gz FXKKZQSVIKCCHL-JTQLQIEISA-N 1 1 251.334 -0.125 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c[nH]nc1N ZINC000071188290 176062894 /nfs/dbraw/zinc/06/28/94/176062894.db2.gz FZAMLVYACLAYAQ-QMMMGPOBSA-N 1 1 273.362 -0.436 10 0 CBAEMO COCCNC(=O)[C@H](C)[N@@H+](CCOC)CCC(N)=S ZINC000071226046 176089721 /nfs/dbraw/zinc/08/97/21/176089721.db2.gz CVDDQZWOJDQXMX-JTQLQIEISA-N 1 1 291.417 -0.238 10 0 CBAEMO CCOC(=O)CCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000071349090 176133139 /nfs/dbraw/zinc/13/31/39/176133139.db2.gz IBYGWHOZADQGLI-UHFFFAOYSA-N 1 1 272.345 -0.144 10 0 CBAEMO CCOC(=O)N1CCN([C@H](C[NH3+])CN(C)C)CC1 ZINC000076667763 177051571 /nfs/dbraw/zinc/05/15/71/177051571.db2.gz IJTPVFQNUHPEKH-LLVKDONJSA-N 1 1 258.366 -0.351 10 0 CBAEMO CN1CCO[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171769060 335078349 /nfs/dbraw/zinc/07/83/49/335078349.db2.gz REQROGSXUYNZEA-CQSZACIVSA-N 1 1 299.415 -0.064 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000088371183 544433297 /nfs/dbraw/zinc/43/32/97/544433297.db2.gz QJADTHFNPWPRDF-LBPRGKRZSA-N 1 1 271.361 -0.845 10 0 CBAEMO CN1CCO[C@@H](C[N@@H+](C)CC2(O)CCOCC2)C1 ZINC000123180481 544452596 /nfs/dbraw/zinc/45/25/96/544452596.db2.gz UOYFCZYNFUEVLZ-GFCCVEGCSA-N 1 1 258.362 -0.210 10 0 CBAEMO CC(C)[C@H]([NH3+])CC(=O)NCCN1CCN(C)CC1 ZINC000136365847 544463375 /nfs/dbraw/zinc/46/33/75/544463375.db2.gz RMKGNMADNXEKKV-GFCCVEGCSA-N 1 1 256.394 -0.277 10 0 CBAEMO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(-n2cncn2)cc1 ZINC000262078676 544517362 /nfs/dbraw/zinc/51/73/62/544517362.db2.gz DUGYRHVDFJWGHS-JSGCOSHPSA-N 1 1 273.340 -0.063 10 0 CBAEMO COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC(N)=O)cc1OC ZINC000037798738 419410516 /nfs/dbraw/zinc/41/05/16/419410516.db2.gz XFUFMLCXPUAUOR-JTQLQIEISA-N 1 1 295.339 -0.135 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000040677897 419418885 /nfs/dbraw/zinc/41/88/85/419418885.db2.gz ZGLCGUNTBVFHPH-JTQLQIEISA-N 1 1 263.297 -0.390 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882761 419481802 /nfs/dbraw/zinc/48/18/02/419481802.db2.gz OPSNLBPFAYMECA-JTQLQIEISA-N 1 1 280.332 -0.554 10 0 CBAEMO CN1CCC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000044763177 419432084 /nfs/dbraw/zinc/43/20/84/419432084.db2.gz UPENCXCVYIBCCD-LLVKDONJSA-N 1 1 255.362 -0.048 10 0 CBAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000660808741 419441200 /nfs/dbraw/zinc/44/12/00/419441200.db2.gz QPJPFPSZBHPPFV-CKIKVBCHSA-N 1 1 289.397 -0.109 10 0 CBAEMO O=C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)N1CCNCC1 ZINC000062980324 419462537 /nfs/dbraw/zinc/46/25/37/419462537.db2.gz CECZBFSSBGCGGW-CQSZACIVSA-N 1 1 296.415 -0.785 10 0 CBAEMO O=C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)N1CCNCC1 ZINC000062980324 419462543 /nfs/dbraw/zinc/46/25/43/419462543.db2.gz CECZBFSSBGCGGW-CQSZACIVSA-N 1 1 296.415 -0.785 10 0 CBAEMO O=C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)N1CCNCC1 ZINC000062980325 419465149 /nfs/dbraw/zinc/46/51/49/419465149.db2.gz CECZBFSSBGCGGW-AWEZNQCLSA-N 1 1 296.415 -0.785 10 0 CBAEMO O=C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)N1CCNCC1 ZINC000062980325 419465151 /nfs/dbraw/zinc/46/51/51/419465151.db2.gz CECZBFSSBGCGGW-AWEZNQCLSA-N 1 1 296.415 -0.785 10 0 CBAEMO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088371014 419474048 /nfs/dbraw/zinc/47/40/48/419474048.db2.gz ZCOKRGXZWIJFEL-GHMZBOCLSA-N 1 1 285.344 -0.288 10 0 CBAEMO COCC[N@@H+](C)CCCNC(=O)N1CC(NC(C)=O)C1 ZINC000189832686 419532028 /nfs/dbraw/zinc/53/20/28/419532028.db2.gz HWKYYSFTHAHALN-UHFFFAOYSA-N 1 1 286.376 -0.515 10 0 CBAEMO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000385596977 544575249 /nfs/dbraw/zinc/57/52/49/544575249.db2.gz KCHMNBVUFHVVIC-IEBDPFPHSA-N 1 1 255.318 -0.900 10 0 CBAEMO CCn1ncnc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384448818 544575582 /nfs/dbraw/zinc/57/55/82/544575582.db2.gz ASFJNUIMWVMGQW-LLVKDONJSA-N 1 1 253.350 -0.156 10 0 CBAEMO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000394020935 544579213 /nfs/dbraw/zinc/57/92/13/544579213.db2.gz IZRBXPDULHTIKJ-UONOGXRCSA-N 1 1 271.405 -0.295 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000394061426 544579768 /nfs/dbraw/zinc/57/97/68/544579768.db2.gz YSCJJTHSZNBTSF-RWMBFGLXSA-N 1 1 276.377 -0.993 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@H]1CO ZINC000394061426 544579771 /nfs/dbraw/zinc/57/97/71/544579771.db2.gz YSCJJTHSZNBTSF-RWMBFGLXSA-N 1 1 276.377 -0.993 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](OC)C[C@H]1CO ZINC000394061426 544579774 /nfs/dbraw/zinc/57/97/74/544579774.db2.gz YSCJJTHSZNBTSF-RWMBFGLXSA-N 1 1 276.377 -0.993 10 0 CBAEMO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CN2CCN1CCC2 ZINC000394393363 544580653 /nfs/dbraw/zinc/58/06/53/544580653.db2.gz YOILJULJBXEVSU-KGLIPLIRSA-N 1 1 280.416 -0.118 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000394380937 544580887 /nfs/dbraw/zinc/58/08/87/544580887.db2.gz JUKBRULEBQEIFR-JHJVBQTASA-N 1 1 266.389 -0.380 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399217003 544583229 /nfs/dbraw/zinc/58/32/29/544583229.db2.gz ULPBZGJVDXMIPB-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399217003 544583231 /nfs/dbraw/zinc/58/32/31/544583231.db2.gz ULPBZGJVDXMIPB-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399217003 544583236 /nfs/dbraw/zinc/58/32/36/544583236.db2.gz ULPBZGJVDXMIPB-UPJWGTAASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399217009 544583983 /nfs/dbraw/zinc/58/39/83/544583983.db2.gz ULPBZGJVDXMIPB-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@@H]1C ZINC000399217009 544583986 /nfs/dbraw/zinc/58/39/86/544583986.db2.gz ULPBZGJVDXMIPB-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)CC[C@@H]1C ZINC000399217009 544583989 /nfs/dbraw/zinc/58/39/89/544583989.db2.gz ULPBZGJVDXMIPB-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO C[C@@H]1C[N@@H+](CCN2CCO[C@@H](CO)C2)C[C@H](C)O1 ZINC000314561631 419622332 /nfs/dbraw/zinc/62/23/32/419622332.db2.gz KJRJMOBMKGMTGK-FRRDWIJNSA-N 1 1 258.362 -0.211 10 0 CBAEMO C[C@@H]1C[N@H+](CCN2CCO[C@@H](CO)C2)C[C@H](C)O1 ZINC000314561631 419622345 /nfs/dbraw/zinc/62/23/45/419622345.db2.gz KJRJMOBMKGMTGK-FRRDWIJNSA-N 1 1 258.362 -0.211 10 0 CBAEMO COC[C@H](CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)OC ZINC000662848032 419746442 /nfs/dbraw/zinc/74/64/42/419746442.db2.gz RRXVLOOMCGHNSF-VWYCJHECSA-N 1 1 260.334 -0.469 10 0 CBAEMO CO[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000662921806 419775562 /nfs/dbraw/zinc/77/55/62/419775562.db2.gz NZNKARSTGOHVNH-VHSXEESVSA-N 1 1 257.334 -0.490 10 0 CBAEMO CO[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000662928645 419778160 /nfs/dbraw/zinc/77/81/60/419778160.db2.gz RRRNIMOJOICELF-MNOVXSKESA-N 1 1 271.361 -0.099 10 0 CBAEMO COC[C@]1(C(=O)N[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649304896 419869528 /nfs/dbraw/zinc/86/95/28/419869528.db2.gz LYHWBWULRYNRFE-AAEUAGOBSA-N 1 1 255.362 -0.035 10 0 CBAEMO CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000664268449 419893901 /nfs/dbraw/zinc/89/39/01/419893901.db2.gz JGZWZHLNUUVBHP-IUCAKERBSA-N 1 1 286.357 -0.234 10 0 CBAEMO CC(C)N1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649285924 419861766 /nfs/dbraw/zinc/86/17/66/419861766.db2.gz ATSQGMIMZKSRSR-GFCCVEGCSA-N 1 1 255.362 -0.225 10 0 CBAEMO COC[C@@]1(C(=O)NC[C@H]2CN(C)CCN2C)CCC[NH2+]1 ZINC000649352664 419904895 /nfs/dbraw/zinc/90/48/95/419904895.db2.gz CNYAHPXVRWIXKS-GXTWGEPZSA-N 1 1 284.404 -0.883 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000367017179 420098857 /nfs/dbraw/zinc/09/88/57/420098857.db2.gz VBUYLPJGKYWEKQ-CYBMUJFWSA-N 1 1 297.380 -0.324 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000367017179 420098861 /nfs/dbraw/zinc/09/88/61/420098861.db2.gz VBUYLPJGKYWEKQ-CYBMUJFWSA-N 1 1 297.380 -0.324 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCn1cncn1 ZINC000381174358 420198583 /nfs/dbraw/zinc/19/85/83/420198583.db2.gz CTPOQSZTNVVCSY-ZJUUUORDSA-N 1 1 253.306 -0.839 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CC(n2cccn2)C1 ZINC000653553517 420148675 /nfs/dbraw/zinc/14/86/75/420148675.db2.gz SPWBKEISXFUJPS-ZDUSSCGKSA-N 1 1 268.361 -0.321 10 0 CBAEMO Cc1noc(CN(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)n1 ZINC000655527039 420261048 /nfs/dbraw/zinc/26/10/48/420261048.db2.gz HNSXFAVRDVKPEL-XCBNKYQSSA-N 1 1 254.290 -0.287 10 0 CBAEMO COC[C@@]1(CNc2ccncc2C(N)=O)CCC[NH2+]1 ZINC000398975499 420218940 /nfs/dbraw/zinc/21/89/40/420218940.db2.gz YOWFDZDEFOBOQD-ZDUSSCGKSA-N 1 1 264.329 -0.217 10 0 CBAEMO COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000683658794 545066414 /nfs/dbraw/zinc/06/64/14/545066414.db2.gz HNMIWVVJEIIGIA-MJBXVCDLSA-N 1 1 290.404 -0.339 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248655788 276238511 /nfs/dbraw/zinc/23/85/11/276238511.db2.gz QVALBLFLUKVMEI-NWDGAFQWSA-N 1 1 271.361 -0.127 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000248655788 276238515 /nfs/dbraw/zinc/23/85/15/276238515.db2.gz QVALBLFLUKVMEI-NWDGAFQWSA-N 1 1 271.361 -0.127 10 0 CBAEMO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000173847718 287884657 /nfs/dbraw/zinc/88/46/57/287884657.db2.gz USDOOZJGALXXFM-CHWSQXEVSA-N 1 1 295.383 -0.212 10 0 CBAEMO CN(C)CC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244542 545082998 /nfs/dbraw/zinc/08/29/98/545082998.db2.gz YTHGRLNJJDATPY-UHFFFAOYSA-N 1 1 255.362 -0.035 10 0 CBAEMO CN1C(=O)C[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000174006095 277014033 /nfs/dbraw/zinc/01/40/33/277014033.db2.gz SKSMBHCMABVEQK-QWRGUYRKSA-N 1 1 267.329 -0.850 10 0 CBAEMO CN1C(=O)C[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000174006095 277014035 /nfs/dbraw/zinc/01/40/35/277014035.db2.gz SKSMBHCMABVEQK-QWRGUYRKSA-N 1 1 267.329 -0.850 10 0 CBAEMO CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173859141 277027508 /nfs/dbraw/zinc/02/75/08/277027508.db2.gz PASTUWKMSFYVLB-PWSUYJOCSA-N 1 1 269.345 -0.698 10 0 CBAEMO CN1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261874214 277048596 /nfs/dbraw/zinc/04/85/96/277048596.db2.gz TYPGITQNIQNWAO-LBPRGKRZSA-N 1 1 255.362 -0.096 10 0 CBAEMO CC(C)(NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000173575115 277309608 /nfs/dbraw/zinc/30/96/08/277309608.db2.gz YTKWJAKOCKVYBT-JTQLQIEISA-N 1 1 289.401 -0.379 10 0 CBAEMO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)CN ZINC000037626665 277477847 /nfs/dbraw/zinc/47/78/47/277477847.db2.gz RZPLWRUDHNOVCL-SNVBAGLBSA-N 1 1 258.366 -0.846 10 0 CBAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)N(C)CCOC)C1 ZINC000110110020 279322731 /nfs/dbraw/zinc/32/27/31/279322731.db2.gz MHRCGSXNVUFQAR-NSHDSACASA-N 1 1 279.406 -0.117 10 0 CBAEMO Cn1nccc1C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000195503555 279418581 /nfs/dbraw/zinc/41/85/81/279418581.db2.gz XEUKULYSEHXQTN-UHFFFAOYSA-N 1 1 265.317 -0.206 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000261995623 280058580 /nfs/dbraw/zinc/05/85/80/280058580.db2.gz UASXHYYIPYTERY-UISBYWKRSA-N 1 1 264.329 -0.240 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000262281368 280058977 /nfs/dbraw/zinc/05/89/77/280058977.db2.gz NXSLIMFCOPKYKI-KKZNHRDASA-N 1 1 255.318 -0.900 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000262017439 280059497 /nfs/dbraw/zinc/05/94/97/280059497.db2.gz WDLMXUNUTDZYSX-UTLUCORTSA-N 1 1 255.318 -0.852 10 0 CBAEMO CC[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174603052 280343337 /nfs/dbraw/zinc/34/33/37/280343337.db2.gz RXGJNJXKRZSVLA-ZYHUDNBSSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC[C@@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1C[C@@H](C)O ZINC000174603052 280343339 /nfs/dbraw/zinc/34/33/39/280343339.db2.gz RXGJNJXKRZSVLA-ZYHUDNBSSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC(C)[C@H]1C(=O)NCCN1Cc1noc(C[NH3+])n1 ZINC000261870088 280363114 /nfs/dbraw/zinc/36/31/14/280363114.db2.gz XIXDVQQXHRMHDH-JTQLQIEISA-N 1 1 253.306 -0.515 10 0 CBAEMO CC[C@H]1CN(C(=O)CC[NH2+]C)CCN1C[C@H](C)O ZINC000262336122 288257451 /nfs/dbraw/zinc/25/74/51/288257451.db2.gz HGRUBNLQNBOTKA-RYUDHWBXSA-N 1 1 257.378 -0.101 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N(C)C)C[C@H]1C ZINC000248604304 290094985 /nfs/dbraw/zinc/09/49/85/290094985.db2.gz JPNYNXIBGRJGDI-MNOVXSKESA-N 1 1 286.376 -0.829 10 0 CBAEMO [NH3+][C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000040173597 303475170 /nfs/dbraw/zinc/47/51/70/303475170.db2.gz GPIXMPNQLBUKMR-ZJUUUORDSA-N 1 1 275.351 -0.415 10 0 CBAEMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000395193804 329279029 /nfs/dbraw/zinc/27/90/29/329279029.db2.gz XKOZCKUIICTLHY-AVGNSLFASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@@H]1C ZINC000395193804 329279031 /nfs/dbraw/zinc/27/90/31/329279031.db2.gz XKOZCKUIICTLHY-AVGNSLFASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@@H]1C ZINC000395193804 329279032 /nfs/dbraw/zinc/27/90/32/329279032.db2.gz XKOZCKUIICTLHY-AVGNSLFASA-N 1 1 260.378 -0.229 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000172061251 335093028 /nfs/dbraw/zinc/09/30/28/335093028.db2.gz ZDKWJDMOCCEIHD-GHMZBOCLSA-N 1 1 289.401 -0.379 10 0 CBAEMO Cc1n[nH]cc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404218171 326957761 /nfs/dbraw/zinc/95/77/61/326957761.db2.gz ZKNMBSGROTYGDU-ZJUUUORDSA-N 1 1 286.357 -0.530 10 0 CBAEMO C(CN1CCOCC1)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000580455813 330141824 /nfs/dbraw/zinc/14/18/24/330141824.db2.gz RJNHGVSFTXJEMH-KGLIPLIRSA-N 1 1 269.389 -0.229 10 0 CBAEMO C(CN1CCOCC1)C[N@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000580455813 330141825 /nfs/dbraw/zinc/14/18/25/330141825.db2.gz RJNHGVSFTXJEMH-KGLIPLIRSA-N 1 1 269.389 -0.229 10 0 CBAEMO C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000088358485 533713664 /nfs/dbraw/zinc/71/36/64/533713664.db2.gz FJHFILDAWCGJAB-UWVGGRQHSA-N 1 1 275.312 -0.105 10 0 CBAEMO COCC1(CNC(=O)c2ncn[nH]2)CC[NH2+]CC1 ZINC000380919143 336039643 /nfs/dbraw/zinc/03/96/43/336039643.db2.gz AMKCPFQYJMMWLS-UHFFFAOYSA-N 1 1 253.306 -0.449 10 0 CBAEMO COCC1(CNC(=O)c2nc[nH]n2)CC[NH2+]CC1 ZINC000380919143 336039644 /nfs/dbraw/zinc/03/96/44/336039644.db2.gz AMKCPFQYJMMWLS-UHFFFAOYSA-N 1 1 253.306 -0.449 10 0 CBAEMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000382836047 336097969 /nfs/dbraw/zinc/09/79/69/336097969.db2.gz OLTYLUYJBSTPBI-WDEREUQCSA-N 1 1 263.407 -0.145 10 0 CBAEMO C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000384847419 336132749 /nfs/dbraw/zinc/13/27/49/336132749.db2.gz AVDNFZWTLNTASF-WCBMZHEXSA-N 1 1 255.318 -0.180 10 0 CBAEMO CN(C)C(=O)CCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000385680356 336154044 /nfs/dbraw/zinc/15/40/44/336154044.db2.gz CLTVCYFLZMHJLI-GFCCVEGCSA-N 1 1 257.334 -0.833 10 0 CBAEMO CCN[C@H](CC[N@@H+](CCOC)[C@@H](C)COC)C(N)=O ZINC000062524337 520190214 /nfs/dbraw/zinc/19/02/14/520190214.db2.gz CIJBWLCDSPRTLB-NWDGAFQWSA-N 1 1 275.393 -0.177 10 0 CBAEMO CC[NH2+][C@H](CCN(CCOC)[C@@H](C)COC)C(N)=O ZINC000062524337 520190219 /nfs/dbraw/zinc/19/02/19/520190219.db2.gz CIJBWLCDSPRTLB-NWDGAFQWSA-N 1 1 275.393 -0.177 10 0 CBAEMO CC[NH2+][C@H](C)CC(=O)NCCN1CCN(C)CC1 ZINC000061271464 520166246 /nfs/dbraw/zinc/16/62/46/520166246.db2.gz CDBLAVRIQNTUER-GFCCVEGCSA-N 1 1 256.394 -0.262 10 0 CBAEMO CCOC(=O)[C@H](C)NCC(=O)N1CC[NH+](C)CC1 ZINC000049372605 521206723 /nfs/dbraw/zinc/20/67/23/521206723.db2.gz QBASLHBYSXWKBG-JTQLQIEISA-N 1 1 257.334 -0.698 10 0 CBAEMO C[NH+](C)CCN1CCN(c2nccnc2CN)CC1 ZINC000061641620 521768875 /nfs/dbraw/zinc/76/88/75/521768875.db2.gz INVKTUNKGUPBJH-UHFFFAOYSA-N 1 1 264.377 -0.381 10 0 CBAEMO CN(C)C[C@@H]1CCCN1CC[NH2+]CCS(C)(=O)=O ZINC000061655222 521839521 /nfs/dbraw/zinc/83/95/21/521839521.db2.gz XZPNDICJFIGUCZ-LBPRGKRZSA-N 1 1 277.434 -0.353 10 0 CBAEMO CN(C)C[C@H]1CCCN1CC[NH2+]CCS(C)(=O)=O ZINC000061655223 521867768 /nfs/dbraw/zinc/86/77/68/521867768.db2.gz XZPNDICJFIGUCZ-GFCCVEGCSA-N 1 1 277.434 -0.353 10 0 CBAEMO CN1CCC(NS(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC000049643167 523778706 /nfs/dbraw/zinc/77/87/06/523778706.db2.gz KOAZMNDURIQVRZ-UHFFFAOYSA-N 1 1 261.391 -0.248 10 0 CBAEMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccnc(N)c2)C1 ZINC000050673607 523968632 /nfs/dbraw/zinc/96/86/32/523968632.db2.gz OEVOCBGGKAWKAQ-MRVPVSSYSA-N 1 1 256.331 -0.354 10 0 CBAEMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccnc(N)c2)C1 ZINC000050673607 523968636 /nfs/dbraw/zinc/96/86/36/523968636.db2.gz OEVOCBGGKAWKAQ-MRVPVSSYSA-N 1 1 256.331 -0.354 10 0 CBAEMO CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145280 525578824 /nfs/dbraw/zinc/57/88/24/525578824.db2.gz MNDVEFRPYMTYPP-JTQLQIEISA-N 1 1 289.401 -0.314 10 0 CBAEMO O=C(C[NH2+][C@H]1CCS(=O)(=O)C1)NC1CCOCC1 ZINC000062768342 526892760 /nfs/dbraw/zinc/89/27/60/526892760.db2.gz PEXPCJMASJFCSA-JTQLQIEISA-N 1 1 276.358 -0.942 10 0 CBAEMO NC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061708515 527060155 /nfs/dbraw/zinc/06/01/55/527060155.db2.gz KIDIUIXNASZCDQ-LLVKDONJSA-N 1 1 263.297 -0.209 10 0 CBAEMO NC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000061708515 527060159 /nfs/dbraw/zinc/06/01/59/527060159.db2.gz KIDIUIXNASZCDQ-LLVKDONJSA-N 1 1 263.297 -0.209 10 0 CBAEMO [NH3+][C@@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000050351438 527343076 /nfs/dbraw/zinc/34/30/76/527343076.db2.gz OAYAUCPGIIUKQI-JTQLQIEISA-N 1 1 296.414 -0.336 10 0 CBAEMO Nc1n[nH]cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049563887 527539554 /nfs/dbraw/zinc/53/95/54/527539554.db2.gz ZPPZYRODVCLRPS-HTQZYQBOSA-N 1 1 271.346 -0.493 10 0 CBAEMO O=C([O-])C[N@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000061145227 527609089 /nfs/dbraw/zinc/60/90/89/527609089.db2.gz KDDLQZSKGZGYBP-UHFFFAOYSA-N 1 1 269.345 -0.395 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122388962 582118520 /nfs/dbraw/zinc/11/85/20/582118520.db2.gz NILNKDOJFFQYBT-VXGBXAGGSA-N 1 1 293.433 -0.042 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122388962 582118523 /nfs/dbraw/zinc/11/85/23/582118523.db2.gz NILNKDOJFFQYBT-VXGBXAGGSA-N 1 1 293.433 -0.042 10 0 CBAEMO [NH3+][C@@H](Cc1c[nH]cn1)c1nc(N2CCOCC2)no1 ZINC000129063485 582122853 /nfs/dbraw/zinc/12/28/53/582122853.db2.gz LYAYDOGIOYTJJX-VIFPVBQESA-N 1 1 264.289 -0.128 10 0 CBAEMO CC(C)[C@@H]([NH3+])c1nc(N2CCN(CCO)CC2)no1 ZINC000757124740 582305006 /nfs/dbraw/zinc/30/50/06/582305006.db2.gz ONKDZQZOIXHPCJ-SNVBAGLBSA-N 1 1 269.349 -0.160 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]1C(N)=O ZINC000757156523 582305189 /nfs/dbraw/zinc/30/51/89/582305189.db2.gz KYLURGHCLHOOJM-QWHCGFSZSA-N 1 1 290.367 -0.468 10 0 CBAEMO COC(=O)CC[C@@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757197670 582305255 /nfs/dbraw/zinc/30/52/55/582305255.db2.gz AJYSTWKPWRBPJC-MRVPVSSYSA-N 1 1 270.289 -0.141 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)O)CC[N@H+]1C[C@H](C)O ZINC000900866343 584830771 /nfs/dbraw/zinc/83/07/71/584830771.db2.gz FFHQAARUPHMEEK-QJPTWQEYSA-N 1 1 288.388 -0.578 10 0 CBAEMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000037487411 656002601 /nfs/dbraw/zinc/00/26/01/656002601.db2.gz YANCAXAZNPQHDK-VXGBXAGGSA-N 1 1 271.338 -0.057 10 0 CBAEMO C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1ccc2c(c1)OCO2 ZINC000037628040 656003204 /nfs/dbraw/zinc/00/32/04/656003204.db2.gz YKVCUFLZOGBWFH-CBAPKCEASA-N 1 1 279.296 -0.205 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000040833094 656006305 /nfs/dbraw/zinc/00/63/05/656006305.db2.gz IHJMQJKKTLQIBT-NSHDSACASA-N 1 1 290.323 -0.045 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000040861404 656006370 /nfs/dbraw/zinc/00/63/70/656006370.db2.gz SUYPYRKFDMFQHO-NWDGAFQWSA-N 1 1 289.401 -0.220 10 0 CBAEMO OCCOCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855681 656034412 /nfs/dbraw/zinc/03/44/12/656034412.db2.gz AEOSVZIKIMHFAW-ZIAGYGMSSA-N 1 1 272.389 -0.036 10 0 CBAEMO OCCOCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855681 656034415 /nfs/dbraw/zinc/03/44/15/656034415.db2.gz AEOSVZIKIMHFAW-ZIAGYGMSSA-N 1 1 272.389 -0.036 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CN1C(=O)C(=O)N(C)C1=O ZINC000177160610 656087494 /nfs/dbraw/zinc/08/74/94/656087494.db2.gz PPLFKOCWQUOUTP-SNVBAGLBSA-N 1 1 282.344 -0.219 10 0 CBAEMO Cc1nc([C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)n[nH]1 ZINC000178847380 656089030 /nfs/dbraw/zinc/08/90/30/656089030.db2.gz LBZMCZBKVVNIOE-CABZTGNLSA-N 1 1 283.307 -0.285 10 0 CBAEMO CC[C@H]1CN(CN2CC(=O)N(C)C2=O)CC[N@H+]1CCOC ZINC000182281114 656092437 /nfs/dbraw/zinc/09/24/37/656092437.db2.gz AJCPXHYUWCIATA-LBPRGKRZSA-N 1 1 298.387 -0.120 10 0 CBAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NNC(=O)CO ZINC000182773579 656093082 /nfs/dbraw/zinc/09/30/82/656093082.db2.gz NZDRIAAJSZRGOE-LLVKDONJSA-N 1 1 265.313 -0.701 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000227751684 656108684 /nfs/dbraw/zinc/10/86/84/656108684.db2.gz FFRLBVOXGXSFMM-VHSXEESVSA-N 1 1 268.313 -0.124 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251915359 656122309 /nfs/dbraw/zinc/12/23/09/656122309.db2.gz XNBWSNDVCUBEID-UWVGGRQHSA-N 1 1 297.384 -0.084 10 0 CBAEMO Cc1cccc2oc(CCNC(=O)[C@H]([NH3+])CC(N)=O)nc21 ZINC000261700452 656126118 /nfs/dbraw/zinc/12/61/18/656126118.db2.gz CXAPEULVCKJEKQ-SECBINFHSA-N 1 1 290.323 -0.002 10 0 CBAEMO C[NH+](C)C[C@H](N)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000705231774 656185619 /nfs/dbraw/zinc/18/56/19/656185619.db2.gz ZEBQEUXUSHYATG-RYUDHWBXSA-N 1 1 254.378 -0.428 10 0 CBAEMO COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CNCCO1 ZINC000710749165 656200623 /nfs/dbraw/zinc/20/06/23/656200623.db2.gz XFJGUIUOZKDHEO-JSGCOSHPSA-N 1 1 283.372 -0.702 10 0 CBAEMO COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CNCCO1 ZINC000710749165 656200626 /nfs/dbraw/zinc/20/06/26/656200626.db2.gz XFJGUIUOZKDHEO-JSGCOSHPSA-N 1 1 283.372 -0.702 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000907521943 656520037 /nfs/dbraw/zinc/52/00/37/656520037.db2.gz IINFNIKSAUREAI-RISCZKNCSA-N 1 1 281.356 -0.822 10 0 CBAEMO O=C(N1CCC[C@@](O)(c2c[nH]nn2)C1)C12CC[NH+](CC1)C2 ZINC000908097831 656643757 /nfs/dbraw/zinc/64/37/57/656643757.db2.gz UYNUZRQSULDJCZ-AWEZNQCLSA-N 1 1 291.355 -0.290 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN[C@H](c3cn[nH]c3)C2)O1 ZINC000913455083 657456549 /nfs/dbraw/zinc/45/65/49/657456549.db2.gz CPTLSUGWGVDIEV-KGYLQXTDSA-N 1 1 293.371 -0.398 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN[C@H](c3cn[nH]c3)C2)O1 ZINC000913455083 657456553 /nfs/dbraw/zinc/45/65/53/657456553.db2.gz CPTLSUGWGVDIEV-KGYLQXTDSA-N 1 1 293.371 -0.398 10 0 CBAEMO C[C@@H](O)[C@H](O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000929569900 659142263 /nfs/dbraw/zinc/14/22/63/659142263.db2.gz SJRBBOJULMGLPJ-TZMCWYRMSA-N 1 1 282.388 -0.331 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000929576428 659143750 /nfs/dbraw/zinc/14/37/50/659143750.db2.gz SMEOMGKQQZDINZ-TUAOUCFPSA-N 1 1 255.318 -0.674 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000929576428 659143756 /nfs/dbraw/zinc/14/37/56/659143756.db2.gz SMEOMGKQQZDINZ-TUAOUCFPSA-N 1 1 255.318 -0.674 10 0 CBAEMO NC(=O)[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1C(F)(F)F ZINC000930747017 659335700 /nfs/dbraw/zinc/33/57/00/659335700.db2.gz LVRFGVXSYOXQNS-NXEZZACHSA-N 1 1 295.305 -0.086 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)NC(N)=O ZINC000113268075 300315592 /nfs/dbraw/zinc/31/55/92/300315592.db2.gz IQBYASRSUWUBMG-VHSXEESVSA-N 1 1 254.334 -0.260 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000312559136 201909886 /nfs/dbraw/zinc/90/98/86/201909886.db2.gz YBTMJFIFGMRITD-AWEZNQCLSA-N 1 1 283.372 -0.299 10 0 CBAEMO CCNC(=O)[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103325549 185830208 /nfs/dbraw/zinc/83/02/08/185830208.db2.gz CWPFZPSWFZSLDG-DTWKUNHWSA-N 1 1 255.318 -0.364 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798011 186022745 /nfs/dbraw/zinc/02/27/45/186022745.db2.gz VHAJGAXNBSTLMS-GFCCVEGCSA-N 1 1 288.392 -0.806 10 0 CBAEMO Cc1cc(CNC(=O)C2CC[NH+](CC(N)=O)CC2)n(C)n1 ZINC000091988438 180299610 /nfs/dbraw/zinc/29/96/10/180299610.db2.gz MXTLCKDBIPLRLA-UHFFFAOYSA-N 1 1 293.371 -0.458 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804496 186073047 /nfs/dbraw/zinc/07/30/47/186073047.db2.gz MEVJTEKUZBGQOR-SECBINFHSA-N 1 1 292.343 -0.064 10 0 CBAEMO COCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817991 186073419 /nfs/dbraw/zinc/07/34/19/186073419.db2.gz XNMQALUEDINZFH-CQSZACIVSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)C2CC2)C[C@H]1C ZINC000105824529 186073717 /nfs/dbraw/zinc/07/37/17/186073717.db2.gz GLUQSRGWSQJORA-VXGBXAGGSA-N 1 1 269.389 -0.006 10 0 CBAEMO Cc1nn(C)c(C)c1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000092328459 180363180 /nfs/dbraw/zinc/36/31/80/180363180.db2.gz RDPUVIFBMRSZKP-LLVKDONJSA-N 1 1 252.318 -0.358 10 0 CBAEMO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)CN ZINC000037626664 351401283 /nfs/dbraw/zinc/40/12/83/351401283.db2.gz RZPLWRUDHNOVCL-JTQLQIEISA-N 1 1 258.366 -0.846 10 0 CBAEMO NC(=O)C[NH+]1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000037986999 351411204 /nfs/dbraw/zinc/41/12/04/351411204.db2.gz CHYKPCOZYGPDGD-UHFFFAOYSA-N 1 1 275.316 -0.286 10 0 CBAEMO CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000062115883 351574709 /nfs/dbraw/zinc/57/47/09/351574709.db2.gz HXATUGDCBWVEJQ-KBPBESRZSA-N 1 1 282.432 -0.016 10 0 CBAEMO [NH3+][C@@H]1NC(=O)N([C@@H]2CS[C@H](CO)O2)C[C@@H]1F ZINC000071606083 351644634 /nfs/dbraw/zinc/64/46/34/351644634.db2.gz KEQFPERVHXNOGM-VWDOSNQTSA-N 1 1 251.283 -0.958 10 0 CBAEMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000077657456 351682407 /nfs/dbraw/zinc/68/24/07/351682407.db2.gz SDKFLPSEDJEFOW-FRRDWIJNSA-N 1 1 258.362 -0.211 10 0 CBAEMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000077657456 351682411 /nfs/dbraw/zinc/68/24/11/351682411.db2.gz SDKFLPSEDJEFOW-FRRDWIJNSA-N 1 1 258.362 -0.211 10 0 CBAEMO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088357824 351724001 /nfs/dbraw/zinc/72/40/01/351724001.db2.gz ITZSHNYZUFRHLX-QWRGUYRKSA-N 1 1 270.329 -0.224 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)[C@H]2COCCN2)CC1 ZINC000088371184 351725208 /nfs/dbraw/zinc/72/52/08/351725208.db2.gz QJADTHFNPWPRDF-GFCCVEGCSA-N 1 1 271.361 -0.845 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882694 351791946 /nfs/dbraw/zinc/79/19/46/351791946.db2.gz OCCKAPXGEKWECW-NSHDSACASA-N 1 1 294.359 -0.164 10 0 CBAEMO COC(=O)CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915316 351792783 /nfs/dbraw/zinc/79/27/83/351792783.db2.gz JOKMQBUURNHHCB-AWEZNQCLSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cn(CC[NH3+])nn1 ZINC000094446979 351763864 /nfs/dbraw/zinc/76/38/64/351763864.db2.gz ZDWUAZQWHPUMOE-NWDGAFQWSA-N 1 1 292.387 -0.064 10 0 CBAEMO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)nn1 ZINC000095069542 351766557 /nfs/dbraw/zinc/76/65/57/351766557.db2.gz VGNVVBPWTRHRLW-VIFPVBQESA-N 1 1 256.331 -0.233 10 0 CBAEMO C[NH+]1CCN(c2nc(CC(N)=O)c3cccnc3n2)CC1 ZINC000095934789 351772213 /nfs/dbraw/zinc/77/22/13/351772213.db2.gz DDGIKLUNSATSFB-UHFFFAOYSA-N 1 1 286.339 -0.196 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)cn1 ZINC000116311615 351821705 /nfs/dbraw/zinc/82/17/05/351821705.db2.gz KSASSVUMHXFMRX-JTQLQIEISA-N 1 1 272.374 -0.241 10 0 CBAEMO CCCS(=O)(=O)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786836 351822841 /nfs/dbraw/zinc/82/28/41/351822841.db2.gz KKVZTZVXNKAAJB-NSHDSACASA-N 1 1 292.401 -0.400 10 0 CBAEMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128062738 351864807 /nfs/dbraw/zinc/86/48/07/351864807.db2.gz XLDUTZIGVTYERX-GFCCVEGCSA-N 1 1 273.377 -0.864 10 0 CBAEMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000131309204 351885614 /nfs/dbraw/zinc/88/56/14/351885614.db2.gz UDLPNPDARHRGDH-JTQLQIEISA-N 1 1 271.361 -0.445 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000167014958 351988715 /nfs/dbraw/zinc/98/87/15/351988715.db2.gz PLIFHQULERLSCL-STQMWFEESA-N 1 1 286.372 -0.293 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000171603289 352013151 /nfs/dbraw/zinc/01/31/51/352013151.db2.gz OSRANKYKRJOAFU-LLVKDONJSA-N 1 1 294.359 -0.035 10 0 CBAEMO CNC(=O)NC(=O)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171626514 352013772 /nfs/dbraw/zinc/01/37/72/352013772.db2.gz PQZRKKZMKCNAAP-SNVBAGLBSA-N 1 1 254.334 -0.388 10 0 CBAEMO CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173859177 352042470 /nfs/dbraw/zinc/04/24/70/352042470.db2.gz PASTUWKMSFYVLB-CMPLNLGQSA-N 1 1 269.345 -0.698 10 0 CBAEMO CC[C@H](O)CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000174079992 352044659 /nfs/dbraw/zinc/04/46/59/352044659.db2.gz ZEEADWNSCSCAPZ-UONOGXRCSA-N 1 1 282.388 -0.368 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000174291712 352045676 /nfs/dbraw/zinc/04/56/76/352045676.db2.gz MMTJOCWYCRUFEW-GHMZBOCLSA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000174291712 352045677 /nfs/dbraw/zinc/04/56/77/352045677.db2.gz MMTJOCWYCRUFEW-GHMZBOCLSA-N 1 1 296.371 -0.492 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1N1CCOCC1 ZINC000177276057 352072665 /nfs/dbraw/zinc/07/26/65/352072665.db2.gz JGGUOHSWDWOYIL-NEPJUHHUSA-N 1 1 296.371 -0.809 10 0 CBAEMO O=C1CCC(=O)N1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000171639659 352014973 /nfs/dbraw/zinc/01/49/73/352014973.db2.gz GKCRPIKPAFIQGC-NSHDSACASA-N 1 1 251.330 -0.085 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCCC1=O)CC1(CO)CC1 ZINC000186820852 352132317 /nfs/dbraw/zinc/13/23/17/352132317.db2.gz QHCILQBYDGYVPJ-NSHDSACASA-N 1 1 256.346 -0.326 10 0 CBAEMO C[NH2+]CCCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000178774374 352084011 /nfs/dbraw/zinc/08/40/11/352084011.db2.gz ZDRHPONNSYQYCD-NWDGAFQWSA-N 1 1 257.378 -0.101 10 0 CBAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC000179548403 352091186 /nfs/dbraw/zinc/09/11/86/352091186.db2.gz LTVHGNXMRXSCLE-GFCCVEGCSA-N 1 1 295.387 -0.182 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCn2cccn2)CC1 ZINC000181769351 352101347 /nfs/dbraw/zinc/10/13/47/352101347.db2.gz RKLWGADTYVFJFV-CYBMUJFWSA-N 1 1 295.387 -0.019 10 0 CBAEMO O=C(CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000181852703 352102345 /nfs/dbraw/zinc/10/23/45/352102345.db2.gz RVWSYCMPRWOBMT-GFCCVEGCSA-N 1 1 296.371 -0.665 10 0 CBAEMO CC[C@H]1CN(C(=O)CN(C)C)CC[N@H+]1C[C@@H](C)O ZINC000182737015 352105366 /nfs/dbraw/zinc/10/53/66/352105366.db2.gz XCZQKOZYAGFJAV-NEPJUHHUSA-N 1 1 257.378 -0.148 10 0 CBAEMO CNC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185175494 352116588 /nfs/dbraw/zinc/11/65/88/352116588.db2.gz HLSHDIJUCZFFNR-CHWSQXEVSA-N 1 1 264.325 -0.026 10 0 CBAEMO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000185188718 352117511 /nfs/dbraw/zinc/11/75/11/352117511.db2.gz UAIUVWZVIKVAMR-NEPJUHHUSA-N 1 1 256.346 -0.137 10 0 CBAEMO COCCC[N@@H+](CCO)C[C@H](O)CN1CCCC1=O ZINC000189922817 352176779 /nfs/dbraw/zinc/17/67/79/352176779.db2.gz JKSGERLKXLMDNS-LBPRGKRZSA-N 1 1 274.361 -0.700 10 0 CBAEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)no1 ZINC000195517718 352227596 /nfs/dbraw/zinc/22/75/96/352227596.db2.gz KZSJWNYPJQSXRI-VIFPVBQESA-N 1 1 281.316 -0.173 10 0 CBAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)no1 ZINC000195517718 352227599 /nfs/dbraw/zinc/22/75/99/352227599.db2.gz KZSJWNYPJQSXRI-VIFPVBQESA-N 1 1 281.316 -0.173 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000224055227 352244522 /nfs/dbraw/zinc/24/45/22/352244522.db2.gz YINYADCIYMNJFS-NXEZZACHSA-N 1 1 257.334 -0.523 10 0 CBAEMO CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000224055175 352244817 /nfs/dbraw/zinc/24/48/17/352244817.db2.gz YINYADCIYMNJFS-ZJUUUORDSA-N 1 1 257.334 -0.523 10 0 CBAEMO CCC[C@H]([NH3+])C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000236873090 352295392 /nfs/dbraw/zinc/29/53/92/352295392.db2.gz MISFKAKYXAZVER-RYUDHWBXSA-N 1 1 256.394 -0.134 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245436286 352319926 /nfs/dbraw/zinc/31/99/26/352319926.db2.gz UWMRNFKCRFWPJF-QWRGUYRKSA-N 1 1 274.386 -0.026 10 0 CBAEMO C[C@@H](CS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245436286 352319930 /nfs/dbraw/zinc/31/99/30/352319930.db2.gz UWMRNFKCRFWPJF-QWRGUYRKSA-N 1 1 274.386 -0.026 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000245457004 352319969 /nfs/dbraw/zinc/31/99/69/352319969.db2.gz JLLNYJMAUOYDBD-QWHCGFSZSA-N 1 1 285.388 -0.504 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000245457004 352319973 /nfs/dbraw/zinc/31/99/73/352319973.db2.gz JLLNYJMAUOYDBD-QWHCGFSZSA-N 1 1 285.388 -0.504 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCOC ZINC000245452741 352320515 /nfs/dbraw/zinc/32/05/15/352320515.db2.gz DVDIWEJOYYNXGH-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCOC ZINC000245452741 352320518 /nfs/dbraw/zinc/32/05/18/352320518.db2.gz DVDIWEJOYYNXGH-ZIAGYGMSSA-N 1 1 299.415 -0.114 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC2)C[C@H]1C ZINC000248598923 352353802 /nfs/dbraw/zinc/35/38/02/352353802.db2.gz ISNXHYCDINHCNT-GRYCIOLGSA-N 1 1 271.361 -0.128 10 0 CBAEMO CCOCC[N@@H+]1CCN([C@H]2CCNC2=O)C[C@@H]1C ZINC000245674229 352322645 /nfs/dbraw/zinc/32/26/45/352322645.db2.gz GFAJAZKWIICDKJ-RYUDHWBXSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCOCC[N@H+]1CCN([C@H]2CCNC2=O)C[C@@H]1C ZINC000245674229 352322649 /nfs/dbraw/zinc/32/26/49/352322649.db2.gz GFAJAZKWIICDKJ-RYUDHWBXSA-N 1 1 255.362 -0.083 10 0 CBAEMO CCOCCNC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246366922 352332071 /nfs/dbraw/zinc/33/20/71/352332071.db2.gz HQKDIYFTYQOXPE-LBPRGKRZSA-N 1 1 255.362 -0.081 10 0 CBAEMO COC(=O)Cn1cc(CCN2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000246379359 352332643 /nfs/dbraw/zinc/33/26/43/352332643.db2.gz ICVGMLRVGMTCKH-ZDUSSCGKSA-N 1 1 293.371 -0.226 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CSCN2)C[C@H]1C ZINC000246501553 352333288 /nfs/dbraw/zinc/33/32/88/352333288.db2.gz PWHCTPYAFKEBOY-VWYCJHECSA-N 1 1 273.402 -0.438 10 0 CBAEMO COC(=O)CCNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246811604 352338331 /nfs/dbraw/zinc/33/83/31/352338331.db2.gz CDLJXGCRRZUORA-NEPJUHHUSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nccc(N)n2)C[C@@H]1C ZINC000247004456 352341513 /nfs/dbraw/zinc/34/15/13/352341513.db2.gz XABBPUMWLUBSHA-QWRGUYRKSA-N 1 1 265.361 -0.054 10 0 CBAEMO CC[C@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1C[C@H](C)O ZINC000247088336 352342242 /nfs/dbraw/zinc/34/22/42/352342242.db2.gz HLXYYJLQFPPKMH-UWVGGRQHSA-N 1 1 295.391 -0.687 10 0 CBAEMO COC(=O)CCNC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247061431 352342471 /nfs/dbraw/zinc/34/24/71/352342471.db2.gz FXKJGQOGCSDVJT-NSHDSACASA-N 1 1 269.345 -0.554 10 0 CBAEMO CC[C@@H]1CN([C@H]2CCN(C)C2=O)CC[N@H+]1C[C@@H](C)O ZINC000247038249 352342603 /nfs/dbraw/zinc/34/26/03/352342603.db2.gz NWEPVLRUPPKASI-UPJWGTAASA-N 1 1 269.389 -0.006 10 0 CBAEMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247510345 352347066 /nfs/dbraw/zinc/34/70/66/352347066.db2.gz VURGXGPLAKQQJZ-GHMZBOCLSA-N 1 1 269.345 -0.691 10 0 CBAEMO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000247510345 352347072 /nfs/dbraw/zinc/34/70/72/352347072.db2.gz VURGXGPLAKQQJZ-GHMZBOCLSA-N 1 1 269.345 -0.691 10 0 CBAEMO COC(=O)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247958417 352350322 /nfs/dbraw/zinc/35/03/22/352350322.db2.gz FXZIRNFVNLIFCT-FZMZJTMJSA-N 1 1 284.356 -0.097 10 0 CBAEMO CCN(CC)C(=O)CN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261888048 352399553 /nfs/dbraw/zinc/39/95/53/352399553.db2.gz GDIFNWOIYCTAJY-PWSUYJOCSA-N 1 1 271.361 -0.310 10 0 CBAEMO CC[C@](C)(O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000249363122 352364569 /nfs/dbraw/zinc/36/45/69/352364569.db2.gz MBFGPQJXMJGOEB-OLZOCXBDSA-N 1 1 260.378 -0.228 10 0 CBAEMO C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)[C@H](C(N)=O)C1 ZINC000249600268 352369569 /nfs/dbraw/zinc/36/95/69/352369569.db2.gz XYTVWASXSVAHJE-UTUOFQBUSA-N 1 1 283.372 -0.445 10 0 CBAEMO C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)[C@H](C(N)=O)C1 ZINC000249600268 352369572 /nfs/dbraw/zinc/36/95/72/352369572.db2.gz XYTVWASXSVAHJE-UTUOFQBUSA-N 1 1 283.372 -0.445 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000249611034 352369824 /nfs/dbraw/zinc/36/98/24/352369824.db2.gz JOKBOVDJVFAKSQ-QWRGUYRKSA-N 1 1 289.401 -0.043 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000249611034 352369825 /nfs/dbraw/zinc/36/98/25/352369825.db2.gz JOKBOVDJVFAKSQ-QWRGUYRKSA-N 1 1 289.401 -0.043 10 0 CBAEMO CCOC(=O)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253075357 352381794 /nfs/dbraw/zinc/38/17/94/352381794.db2.gz QITQKVFLDTZQRA-VHSXEESVSA-N 1 1 255.318 -0.817 10 0 CBAEMO CN1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261874213 352398707 /nfs/dbraw/zinc/39/87/07/352398707.db2.gz TYPGITQNIQNWAO-GFCCVEGCSA-N 1 1 255.362 -0.096 10 0 CBAEMO COC[C@@H](N)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000262172990 352409547 /nfs/dbraw/zinc/40/95/47/352409547.db2.gz AWHDBNALRLAYLV-GFCCVEGCSA-N 1 1 294.355 -0.288 10 0 CBAEMO COC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262282503 352413181 /nfs/dbraw/zinc/41/31/81/352413181.db2.gz LYBIKNCXDMOHMI-KOLCDFICSA-N 1 1 261.391 -0.486 10 0 CBAEMO Cc1nc(CN(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)no1 ZINC000262298090 352413956 /nfs/dbraw/zinc/41/39/56/352413956.db2.gz PHTZHBCXGHECFO-XCBNKYQSSA-N 1 1 254.290 -0.287 10 0 CBAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263258831 352441411 /nfs/dbraw/zinc/44/14/11/352441411.db2.gz QSJAJJOACAKKTR-NXEZZACHSA-N 1 1 276.331 -0.654 10 0 CBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@@H]1C ZINC000262321273 352416285 /nfs/dbraw/zinc/41/62/85/352416285.db2.gz RHYSWIOPBUGMDI-RVMXOQNASA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C[C@@H]1C ZINC000262321273 352416287 /nfs/dbraw/zinc/41/62/87/352416287.db2.gz RHYSWIOPBUGMDI-RVMXOQNASA-N 1 1 285.388 -0.723 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000262408897 352420412 /nfs/dbraw/zinc/42/04/12/352420412.db2.gz ZAEUGZXYHFKUQI-WZRBSPASSA-N 1 1 267.373 -0.036 10 0 CBAEMO COC[C@H]([NH3+])C(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000262583157 352427394 /nfs/dbraw/zinc/42/73/94/352427394.db2.gz UVQUOUAXKDEBGR-WPRPVWTQSA-N 1 1 278.374 -0.616 10 0 CBAEMO CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000262793948 352434816 /nfs/dbraw/zinc/43/48/16/352434816.db2.gz OVODMISHNJLJGT-WOPDTQHZSA-N 1 1 273.377 -0.736 10 0 CBAEMO COC[C@H]([NH3+])C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000263241278 352440524 /nfs/dbraw/zinc/44/05/24/352440524.db2.gz LFLMZNOBRKFUKA-NEPJUHHUSA-N 1 1 273.377 -0.567 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000261988545 352403364 /nfs/dbraw/zinc/40/33/64/352403364.db2.gz SKXSLQSUWQRFMS-RISCZKNCSA-N 1 1 295.383 -0.023 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000262054365 352405437 /nfs/dbraw/zinc/40/54/37/352405437.db2.gz AJLCMUPHWKPEPG-MFKMUULPSA-N 1 1 292.339 -0.097 10 0 CBAEMO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262156448 352407952 /nfs/dbraw/zinc/40/79/52/352407952.db2.gz IBNNIRYHEFGJOK-BBBLOLIVSA-N 1 1 278.374 -0.697 10 0 CBAEMO Cc1cc(C)n(CC[N@H+]2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000286358510 352643304 /nfs/dbraw/zinc/64/33/04/352643304.db2.gz YBEPTAFEUFJFAA-ZDUSSCGKSA-N 1 1 266.345 -0.188 10 0 CBAEMO C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@@H]1[NH+](C)C ZINC000310293374 352759370 /nfs/dbraw/zinc/75/93/70/352759370.db2.gz RZIJFSFGOXEONE-IUCAKERBSA-N 1 1 258.347 -0.020 10 0 CBAEMO COC[C@H](C)NC(=O)CN[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567415 522603260 /nfs/dbraw/zinc/60/32/60/522603260.db2.gz HWYQQQBZQBSNQX-SDDRHHMPSA-N 1 1 255.362 -0.036 10 0 CBAEMO COC[C@H](C)NC(=O)CN[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567415 522603264 /nfs/dbraw/zinc/60/32/64/522603264.db2.gz HWYQQQBZQBSNQX-SDDRHHMPSA-N 1 1 255.362 -0.036 10 0 CBAEMO CNC(=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000336016298 353039881 /nfs/dbraw/zinc/03/98/81/353039881.db2.gz YKALBGLOCZXOOZ-UWVGGRQHSA-N 1 1 253.346 -0.079 10 0 CBAEMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000336717085 353049604 /nfs/dbraw/zinc/04/96/04/353049604.db2.gz XRDPUCXMHNSGKC-NSHDSACASA-N 1 1 264.391 -0.028 10 0 CBAEMO Cn1nccc1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336788072 353052443 /nfs/dbraw/zinc/05/24/43/353052443.db2.gz GLISLMYUWXHJRQ-GFCCVEGCSA-N 1 1 252.318 -0.725 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000336812501 353057700 /nfs/dbraw/zinc/05/77/00/353057700.db2.gz RLPFFKROAVHUNP-DGCLKSJQSA-N 1 1 274.361 -0.524 10 0 CBAEMO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@@H]12 ZINC000383583490 353785820 /nfs/dbraw/zinc/78/58/20/353785820.db2.gz MLXGZOONKFVJAF-DJLDLDEBSA-N 1 1 256.331 -0.233 10 0 CBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401736664 353803436 /nfs/dbraw/zinc/80/34/36/353803436.db2.gz IILVHJZLSVIPNG-UWVGGRQHSA-N 1 1 257.334 -0.075 10 0 CBAEMO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000401726427 353803629 /nfs/dbraw/zinc/80/36/29/353803629.db2.gz BMSISUXMWQLNIT-WCBMZHEXSA-N 1 1 255.318 -0.323 10 0 CBAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000401852335 353804000 /nfs/dbraw/zinc/80/40/00/353804000.db2.gz VIZYITFZZJNUKU-VXGBXAGGSA-N 1 1 255.362 -0.537 10 0 CBAEMO CCOCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404204306 353806286 /nfs/dbraw/zinc/80/62/86/353806286.db2.gz ROIDTZOFVWAYOF-MNOVXSKESA-N 1 1 278.374 -0.585 10 0 CBAEMO O=S(=O)(C[C@@H]1CCCO1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404218729 353806662 /nfs/dbraw/zinc/80/66/62/353806662.db2.gz ZRLWEGQCLXUYHQ-SRVKXCTJSA-N 1 1 290.385 -0.442 10 0 CBAEMO COC(=O)c1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000386441892 353788249 /nfs/dbraw/zinc/78/82/49/353788249.db2.gz CNDFQJKNWPYMSI-VIFPVBQESA-N 1 1 256.306 -0.234 10 0 CBAEMO CNC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000336400122 213257749 /nfs/dbraw/zinc/25/77/49/213257749.db2.gz XFYIUKZEEKPYPB-UWVGGRQHSA-N 1 1 268.361 -0.144 10 0 CBAEMO CO[C@@H]1COC[C@@H]1[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000428192975 354245966 /nfs/dbraw/zinc/24/59/66/354245966.db2.gz YFXCKTBTDIZXDG-KKJSVHSVSA-N 1 1 254.330 -0.014 10 0 CBAEMO CO[C@@H]1COC[C@@H]1[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000428192978 354246363 /nfs/dbraw/zinc/24/63/63/354246363.db2.gz YFXCKTBTDIZXDG-RNWYCLNJSA-N 1 1 254.330 -0.014 10 0 CBAEMO C[NH2+][C@@H](C(=O)N[C@@H](C)COCCOC)c1cnn(C)c1 ZINC000262563275 137720779 /nfs/dbraw/zinc/72/07/79/137720779.db2.gz RDRAADRYYJFPIW-CMPLNLGQSA-N 1 1 284.360 -0.152 10 0 CBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245431040 283019391 /nfs/dbraw/zinc/01/93/91/283019391.db2.gz NWALNNMVSCBWDM-OLZOCXBDSA-N 1 1 283.372 -0.750 10 0 CBAEMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245431040 283019393 /nfs/dbraw/zinc/01/93/93/283019393.db2.gz NWALNNMVSCBWDM-OLZOCXBDSA-N 1 1 283.372 -0.750 10 0 CBAEMO C[N@@H+](CCO)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000496351492 354543076 /nfs/dbraw/zinc/54/30/76/354543076.db2.gz WQDWEARWASOCBW-UWVGGRQHSA-N 1 1 260.334 -0.109 10 0 CBAEMO O=S1(=O)NC([C@H]2C[C@H](O)C[NH2+]2)=Nc2ccccc21 ZINC000575434078 354936331 /nfs/dbraw/zinc/93/63/31/354936331.db2.gz ISYWMFRQGDKHCH-IONNQARKSA-N 1 1 267.310 -0.269 10 0 CBAEMO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000602932410 355685441 /nfs/dbraw/zinc/68/54/41/355685441.db2.gz ZUYAJDUDVKWFSQ-PSASIEDQSA-N 1 1 255.318 -0.180 10 0 CBAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000602932410 355685442 /nfs/dbraw/zinc/68/54/42/355685442.db2.gz ZUYAJDUDVKWFSQ-PSASIEDQSA-N 1 1 255.318 -0.180 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000616634936 356103380 /nfs/dbraw/zinc/10/33/80/356103380.db2.gz FJHWJVYEUWIJEP-JTQLQIEISA-N 1 1 259.306 -0.025 10 0 CBAEMO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](CN)C1 ZINC000616634571 356103843 /nfs/dbraw/zinc/10/38/43/356103843.db2.gz VKDHWGWTXGSDEV-SNVBAGLBSA-N 1 1 258.366 -0.256 10 0 CBAEMO NC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328948510 202124591 /nfs/dbraw/zinc/12/45/91/202124591.db2.gz WFIYFKXOIUFVQW-WCBMZHEXSA-N 1 1 252.318 -0.094 10 0 CBAEMO NC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328948510 202124593 /nfs/dbraw/zinc/12/45/93/202124593.db2.gz WFIYFKXOIUFVQW-WCBMZHEXSA-N 1 1 252.318 -0.094 10 0 CBAEMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000628756297 356721656 /nfs/dbraw/zinc/72/16/56/356721656.db2.gz RJNFAVAOPWJEAA-QWRGUYRKSA-N 1 1 253.346 -0.029 10 0 CBAEMO C[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1C[NH3+] ZINC000631841414 356910375 /nfs/dbraw/zinc/91/03/75/356910375.db2.gz KHWLOWQGFXMBSX-ZJUUUORDSA-N 1 1 268.361 -0.157 10 0 CBAEMO C[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000631840180 356910505 /nfs/dbraw/zinc/91/05/05/356910505.db2.gz QNURUDUEXNJESN-QWRGUYRKSA-N 1 1 263.407 -0.206 10 0 CBAEMO C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCNCC1=O ZINC000638109021 357419784 /nfs/dbraw/zinc/41/97/84/357419784.db2.gz QWPXJBDSLDECRD-NEPJUHHUSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCNC1=O ZINC000638403782 357469375 /nfs/dbraw/zinc/46/93/75/357469375.db2.gz VBAYIQPBYALFBP-CHWSQXEVSA-N 1 1 290.367 -0.550 10 0 CBAEMO CCN1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1=O ZINC000638823749 357533922 /nfs/dbraw/zinc/53/39/22/357533922.db2.gz BGKRSOOHEWUERK-UTLUCORTSA-N 1 1 255.318 -0.900 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1CCN(C)C[C@H]1CO ZINC000639872197 357614892 /nfs/dbraw/zinc/61/48/92/357614892.db2.gz OMNPISDFYGEJTC-QWHCGFSZSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639872197 357614900 /nfs/dbraw/zinc/61/49/00/357614900.db2.gz OMNPISDFYGEJTC-QWHCGFSZSA-N 1 1 260.378 -0.228 10 0 CBAEMO CCCCOC[C@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639872197 357614903 /nfs/dbraw/zinc/61/49/03/357614903.db2.gz OMNPISDFYGEJTC-QWHCGFSZSA-N 1 1 260.378 -0.228 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938607 357619139 /nfs/dbraw/zinc/61/91/39/357619139.db2.gz FGYOVMFMQACSGC-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938607 357619141 /nfs/dbraw/zinc/61/91/41/357619141.db2.gz FGYOVMFMQACSGC-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938607 357619145 /nfs/dbraw/zinc/61/91/45/357619145.db2.gz FGYOVMFMQACSGC-JHJVBQTASA-N 1 1 260.378 -0.229 10 0 CBAEMO CN(CC(=O)NC[C@@H]1CCC[NH2+]1)c1ncnc2[nH]cnc21 ZINC000178786885 189145759 /nfs/dbraw/zinc/14/57/59/189145759.db2.gz DUVXKBBRFHLLAQ-VIFPVBQESA-N 1 1 289.343 -0.343 10 0 CBAEMO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)o1 ZINC000179176968 189175381 /nfs/dbraw/zinc/17/53/81/189175381.db2.gz KCXQUQBBSGKIGK-RKDXNWHRSA-N 1 1 255.270 -0.006 10 0 CBAEMO COC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)o1 ZINC000179176968 189175382 /nfs/dbraw/zinc/17/53/82/189175382.db2.gz KCXQUQBBSGKIGK-RKDXNWHRSA-N 1 1 255.270 -0.006 10 0 CBAEMO Cn1cc(CN2CC[N@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000179549749 189201937 /nfs/dbraw/zinc/20/19/37/189201937.db2.gz DQMNVYWUZLSQKO-GFCCVEGCSA-N 1 1 278.356 -0.636 10 0 CBAEMO COC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000180726290 189271694 /nfs/dbraw/zinc/27/16/94/189271694.db2.gz HKUMDBOFOPMCHV-NWDGAFQWSA-N 1 1 255.318 -0.409 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000180726290 189271695 /nfs/dbraw/zinc/27/16/95/189271695.db2.gz HKUMDBOFOPMCHV-NWDGAFQWSA-N 1 1 255.318 -0.409 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000181278802 189292696 /nfs/dbraw/zinc/29/26/96/189292696.db2.gz ZOOYCLPCJGGBGQ-JTQLQIEISA-N 1 1 282.348 -0.001 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)Nc2ncnn2C)C[C@@H]1C ZINC000181278802 189292697 /nfs/dbraw/zinc/29/26/97/189292697.db2.gz ZOOYCLPCJGGBGQ-JTQLQIEISA-N 1 1 282.348 -0.001 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247506824 299337653 /nfs/dbraw/zinc/33/76/53/299337653.db2.gz VLLIQAHPVNTFIJ-OUAUKWLOSA-N 1 1 289.401 -0.381 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000068807784 372767191 /nfs/dbraw/zinc/76/71/91/372767191.db2.gz ZRRMCZBIYWIJON-FRRDWIJNSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COCCN3)CC[C@H]21 ZINC000250647958 372895708 /nfs/dbraw/zinc/89/57/08/372895708.db2.gz VXHZLTIHUBVZIS-JHJVBQTASA-N 1 1 267.373 -0.083 10 0 CBAEMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245549945 372882243 /nfs/dbraw/zinc/88/22/43/372882243.db2.gz ZSQLMMNZFTWQPE-JHJVBQTASA-N 1 1 258.362 -0.354 10 0 CBAEMO CO[C@H]1C[C@@H](CO)[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000344670213 217269882 /nfs/dbraw/zinc/26/98/82/217269882.db2.gz CWCQKFFGOYOQHY-UWVGGRQHSA-N 1 1 256.302 -0.783 10 0 CBAEMO COCC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)C(N)=O ZINC000247599150 372887393 /nfs/dbraw/zinc/88/73/93/372887393.db2.gz KQXGTNZKCATBRQ-GHMZBOCLSA-N 1 1 276.377 -0.015 10 0 CBAEMO COCC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)C(N)=O ZINC000247599150 372887402 /nfs/dbraw/zinc/88/74/02/372887402.db2.gz KQXGTNZKCATBRQ-GHMZBOCLSA-N 1 1 276.377 -0.015 10 0 CBAEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372903943 373557876 /nfs/dbraw/zinc/55/78/76/373557876.db2.gz QOEQNEZVTPCEIZ-ZJUUUORDSA-N 1 1 250.364 -0.100 10 0 CBAEMO CNC(=O)C[C@@]1(O)CCC[N@@H+](CCc2cncn2C)C1 ZINC000643818368 374442850 /nfs/dbraw/zinc/44/28/50/374442850.db2.gz MEEGQMQCFQBXGA-AWEZNQCLSA-N 1 1 280.372 -0.074 10 0 CBAEMO O=C(NCc1n[nH]cc1Br)[C@H]1COCC[NH2+]1 ZINC000516293114 248924670 /nfs/dbraw/zinc/92/46/70/248924670.db2.gz DRILYRXPAHBFGL-MRVPVSSYSA-N 1 1 289.133 -0.223 10 0 CBAEMO CC[C@H]1CN(CCOCCO)CC[N@H+]1C[C@@H](C)O ZINC000132955485 207375688 /nfs/dbraw/zinc/37/56/88/207375688.db2.gz MBDZONKAUZMVLB-OLZOCXBDSA-N 1 1 260.378 -0.228 10 0 CBAEMO COCC[N@@H+]1CCN(C(=O)NCCNC(C)=O)C[C@@H]1C ZINC000117469829 285042476 /nfs/dbraw/zinc/04/24/76/285042476.db2.gz ZXTBQWDULJTSIH-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO COCC[N@H+]1CCN(C(=O)NCCNC(C)=O)C[C@@H]1C ZINC000117469829 285042478 /nfs/dbraw/zinc/04/24/78/285042478.db2.gz ZXTBQWDULJTSIH-NSHDSACASA-N 1 1 286.376 -0.515 10 0 CBAEMO C[C@@H](c1cnccn1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000095068140 184930033 /nfs/dbraw/zinc/93/00/33/184930033.db2.gz WKQPYBGSLTZMDX-VIFPVBQESA-N 1 1 256.331 -0.227 10 0 CBAEMO COC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000262019810 285382702 /nfs/dbraw/zinc/38/27/02/285382702.db2.gz AGLYMTHPYGNIMC-AAEUAGOBSA-N 1 1 287.404 -0.489 10 0 CBAEMO NC(=S)c1cccnc1N1CC[NH+](CCO)CC1 ZINC000036231601 134813469 /nfs/dbraw/zinc/81/34/69/134813469.db2.gz PNGMLTBYFWSJOO-UHFFFAOYSA-N 1 1 266.370 -0.170 10 0 CBAEMO COCC(=O)N1CCO[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC000096049759 292177887 /nfs/dbraw/zinc/17/78/87/292177887.db2.gz WSMBJVCGKYFRAO-CQSZACIVSA-N 1 1 286.372 -0.029 10 0 CBAEMO CNC(=O)C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007663063 170296464 /nfs/dbraw/zinc/29/64/64/170296464.db2.gz VWIPKFVKCVXIEI-UHFFFAOYSA-N 1 1 279.296 -0.268 10 0 CBAEMO CO[C@H]1C[C@@H](CN(C)c2nccn(C)c2=O)[N@@H+](C)C1 ZINC000284625167 196097740 /nfs/dbraw/zinc/09/77/40/196097740.db2.gz UDEMJUBOJPVKBN-QWRGUYRKSA-N 1 1 266.345 -0.064 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC(N)=S ZINC000020420683 171186037 /nfs/dbraw/zinc/18/60/37/171186037.db2.gz WXWPUNPCCBRUQH-ZETCQYMHSA-N 1 1 260.363 -0.171 10 0 CBAEMO NC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000284959433 196165654 /nfs/dbraw/zinc/16/56/54/196165654.db2.gz JNFOMHJNFZLDOD-ZFWWWQNUSA-N 1 1 294.351 -0.514 10 0 CBAEMO COc1cccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)n1 ZINC000284996060 196173554 /nfs/dbraw/zinc/17/35/54/196173554.db2.gz YGRLVQIABTVEAP-CYBMUJFWSA-N 1 1 265.313 -0.098 10 0 CBAEMO COc1cccc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000284996066 196173687 /nfs/dbraw/zinc/17/36/87/196173687.db2.gz YGRLVQIABTVEAP-ZDUSSCGKSA-N 1 1 265.313 -0.098 10 0 CBAEMO Cc1nc(=O)[nH]c(C)c1CC(=O)N1CC[NH+](CCO)CC1 ZINC000035188092 172043451 /nfs/dbraw/zinc/04/34/51/172043451.db2.gz UQZYYCVKOYXWSC-UHFFFAOYSA-N 1 1 294.355 -0.934 10 0 CBAEMO C[C@@H](C[N@@H+](CC(N)=O)Cc1cccc(N)c1)C(N)=O ZINC000035366787 172158079 /nfs/dbraw/zinc/15/80/79/172158079.db2.gz BJMBHGPVEVPQTC-VIFPVBQESA-N 1 1 264.329 -0.323 10 0 CBAEMO CCn1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c(N)n1 ZINC000037558522 173269853 /nfs/dbraw/zinc/26/98/53/173269853.db2.gz JXHDQULMYWQZTG-UHFFFAOYSA-N 1 1 287.389 -0.189 10 0 CBAEMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c(N)n1 ZINC000037558522 173269855 /nfs/dbraw/zinc/26/98/55/173269855.db2.gz JXHDQULMYWQZTG-UHFFFAOYSA-N 1 1 287.389 -0.189 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820166 173772055 /nfs/dbraw/zinc/77/20/55/173772055.db2.gz VVJAWAGNHQUZKC-IUCAKERBSA-N 1 1 265.317 -0.682 10 0 CBAEMO C[N@H+](CC(=O)N1CCNCC1)[C@@H]1CCCC[C@@H]1O ZINC000038031608 174026026 /nfs/dbraw/zinc/02/60/26/174026026.db2.gz ZTMFENKOMQOLOA-NEPJUHHUSA-N 1 1 255.362 -0.347 10 0 CBAEMO C[N@@H+](CC(=O)N1CCNCC1)[C@@H]1CCCC[C@@H]1O ZINC000038031608 174026027 /nfs/dbraw/zinc/02/60/27/174026027.db2.gz ZTMFENKOMQOLOA-NEPJUHHUSA-N 1 1 255.362 -0.347 10 0 CBAEMO CCN(CC)C(=O)CCC[N@H+](C)CC(=O)N1CCNCC1 ZINC000038031479 174026436 /nfs/dbraw/zinc/02/64/36/174026436.db2.gz SZLNRNSRJOCPCX-UHFFFAOYSA-N 1 1 298.431 -0.001 10 0 CBAEMO CCN(CC)C(=O)CCC[N@@H+](C)CC(=O)N1CCNCC1 ZINC000038031479 174026439 /nfs/dbraw/zinc/02/64/39/174026439.db2.gz SZLNRNSRJOCPCX-UHFFFAOYSA-N 1 1 298.431 -0.001 10 0 CBAEMO C[NH+](C)CCOC(=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000040168371 174199259 /nfs/dbraw/zinc/19/92/59/174199259.db2.gz GKKYIJBOIQIFOE-QMMMGPOBSA-N 1 1 264.372 -0.250 10 0 CBAEMO CN1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044762309 175246355 /nfs/dbraw/zinc/24/63/55/175246355.db2.gz GBYSXWNHQZTVBS-UHFFFAOYSA-N 1 1 255.362 -0.094 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071189204 176064486 /nfs/dbraw/zinc/06/44/86/176064486.db2.gz LRCMFGHDOBMCJL-LBPRGKRZSA-N 1 1 254.378 -0.698 10 0 CBAEMO CN(CC(=O)N1CCNCC1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189204 176064487 /nfs/dbraw/zinc/06/44/87/176064487.db2.gz LRCMFGHDOBMCJL-LBPRGKRZSA-N 1 1 254.378 -0.698 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(NN)nn1 ZINC000071193224 176075547 /nfs/dbraw/zinc/07/55/47/176075547.db2.gz WEPLOZDFWKNZAS-SECBINFHSA-N 1 1 264.333 -0.214 10 0 CBAEMO O=C(CN1CSCC1=O)N1CCC[N@H+](CCO)CC1 ZINC000071348741 176132556 /nfs/dbraw/zinc/13/25/56/176132556.db2.gz BCZRJQNFIWABSL-UHFFFAOYSA-N 1 1 287.385 -0.954 10 0 CBAEMO C[N@@H+](CCNC(=O)[C@H](N)CC(N)=O)C1CCCC1 ZINC000071378587 176143683 /nfs/dbraw/zinc/14/36/83/176143683.db2.gz ZZEYNBJQMNASHR-SNVBAGLBSA-N 1 1 256.350 -0.820 10 0 CBAEMO C[N@@H+]([C@@H](CCC[NH3+])C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000076368492 177006035 /nfs/dbraw/zinc/00/60/35/177006035.db2.gz OPIAHUZHXWLUIB-BDAKNGLRSA-N 1 1 264.347 -0.703 10 0 CBAEMO CCOC(=O)N1CCN([C@@H](C[NH3+])CN(C)C)CC1 ZINC000076667760 177051488 /nfs/dbraw/zinc/05/14/88/177051488.db2.gz IJTPVFQNUHPEKH-NSHDSACASA-N 1 1 258.366 -0.351 10 0 CBAEMO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088372108 544434108 /nfs/dbraw/zinc/43/41/08/544434108.db2.gz JZCFMTRDBKZCOO-LBPRGKRZSA-N 1 1 298.364 -0.305 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNc2ccc(C(=O)NC)nn2)C1 ZINC000135496583 544463527 /nfs/dbraw/zinc/46/35/27/544463527.db2.gz RNXFVTSLZFCDJN-SNVBAGLBSA-N 1 1 279.344 -0.031 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNc2ccc(C(=O)NC)nn2)C1 ZINC000135496583 544463531 /nfs/dbraw/zinc/46/35/31/544463531.db2.gz RNXFVTSLZFCDJN-SNVBAGLBSA-N 1 1 279.344 -0.031 10 0 CBAEMO C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000154287039 544469633 /nfs/dbraw/zinc/46/96/33/544469633.db2.gz XMUKRFXUWQWPDD-RYUDHWBXSA-N 1 1 255.362 -0.130 10 0 CBAEMO C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000154287142 544470597 /nfs/dbraw/zinc/47/05/97/544470597.db2.gz XMUKRFXUWQWPDD-VXGBXAGGSA-N 1 1 255.362 -0.130 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159324492 544473920 /nfs/dbraw/zinc/47/39/20/544473920.db2.gz PXSXUDJVIDDVSQ-MNOVXSKESA-N 1 1 257.334 -0.205 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159324492 544473923 /nfs/dbraw/zinc/47/39/23/544473923.db2.gz PXSXUDJVIDDVSQ-MNOVXSKESA-N 1 1 257.334 -0.205 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC000173291505 544480293 /nfs/dbraw/zinc/48/02/93/544480293.db2.gz IHPUBDCTKRZDEP-GHMZBOCLSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC000173291505 544480306 /nfs/dbraw/zinc/48/03/06/544480306.db2.gz IHPUBDCTKRZDEP-GHMZBOCLSA-N 1 1 266.345 -0.134 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC000173291505 544480312 /nfs/dbraw/zinc/48/03/12/544480312.db2.gz IHPUBDCTKRZDEP-GHMZBOCLSA-N 1 1 266.345 -0.134 10 0 CBAEMO CN1CCN(c2cnn([C@@H]3CCC[NH2+]C3)c(=O)c2)CC1 ZINC000238855143 544510132 /nfs/dbraw/zinc/51/01/32/544510132.db2.gz QPELTBKGOMHQTR-GFCCVEGCSA-N 1 1 277.372 -0.080 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250361959 544513557 /nfs/dbraw/zinc/51/35/57/544513557.db2.gz CYRGMYFGQWIAQN-YNEHKIRRSA-N 1 1 268.405 -0.277 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCOC2)C1 ZINC000252698934 544514777 /nfs/dbraw/zinc/51/47/77/544514777.db2.gz PXSXUDJVIDDVSQ-QWRGUYRKSA-N 1 1 257.334 -0.205 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCOC2)C1 ZINC000252698934 544514784 /nfs/dbraw/zinc/51/47/84/544514784.db2.gz PXSXUDJVIDDVSQ-QWRGUYRKSA-N 1 1 257.334 -0.205 10 0 CBAEMO CC[N@@H+](C)C[C@@H](O)Cn1nc(N)nc1Br ZINC000309027383 544528602 /nfs/dbraw/zinc/52/86/02/544528602.db2.gz YWTHHCOGPCFDPO-ZCFIWIBFSA-N 1 1 278.154 -0.065 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660523578 419408582 /nfs/dbraw/zinc/40/85/82/419408582.db2.gz YJXHGLVEQNUPJX-SCZZXKLOSA-N 1 1 264.272 -0.277 10 0 CBAEMO O=C(CN1CC[NH2+]CC1)N1CCN2CCCC[C@H]2C1 ZINC000037812789 419414161 /nfs/dbraw/zinc/41/41/61/419414161.db2.gz PYIPJDBAIVMGIX-ZDUSSCGKSA-N 1 1 266.389 -0.412 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882763 419484114 /nfs/dbraw/zinc/48/41/14/419484114.db2.gz OPSNLBPFAYMECA-SNVBAGLBSA-N 1 1 280.332 -0.554 10 0 CBAEMO O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CC[NH2+]C1 ZINC000394379569 544578872 /nfs/dbraw/zinc/57/88/72/544578872.db2.gz DEWPZSIHQIXLQH-VXGBXAGGSA-N 1 1 252.362 -0.898 10 0 CBAEMO CC(C)N1CCC[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)C1=O ZINC000184720034 419514785 /nfs/dbraw/zinc/51/47/85/419514785.db2.gz WRPVDYBHRLYVTN-UTUOFQBUSA-N 1 1 256.346 -0.187 10 0 CBAEMO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000393000317 544579724 /nfs/dbraw/zinc/57/97/24/544579724.db2.gz KFTRTKWPRZBZPA-SDDRHHMPSA-N 1 1 257.378 -0.056 10 0 CBAEMO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000393000317 544579727 /nfs/dbraw/zinc/57/97/27/544579727.db2.gz KFTRTKWPRZBZPA-SDDRHHMPSA-N 1 1 257.378 -0.056 10 0 CBAEMO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCN1CCC2 ZINC000394393364 544581263 /nfs/dbraw/zinc/58/12/63/544581263.db2.gz YOILJULJBXEVSU-UONOGXRCSA-N 1 1 280.416 -0.118 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394381989 544581769 /nfs/dbraw/zinc/58/17/69/544581769.db2.gz OMSRCKBGUVWGIK-NWDGAFQWSA-N 1 1 254.378 -0.380 10 0 CBAEMO CCCN(C(=O)[C@H]([NH3+])COC)[C@@H]1CCS(=O)(=O)C1 ZINC000262006656 419598799 /nfs/dbraw/zinc/59/87/99/419598799.db2.gz BONMJDKPQLYECG-NXEZZACHSA-N 1 1 278.374 -0.614 10 0 CBAEMO C[C@@H]1CC[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)O1 ZINC000405277057 544589662 /nfs/dbraw/zinc/58/96/62/544589662.db2.gz SFJQWWOTKYXKOE-WRWGMCAJSA-N 1 1 254.330 -0.169 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC(N)=O)C1 ZINC000662854668 419750726 /nfs/dbraw/zinc/75/07/26/419750726.db2.gz UCOQFPQHSWYGHH-BDAKNGLRSA-N 1 1 256.350 -0.822 10 0 CBAEMO CCS(=O)(=O)C1(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000662917497 419776446 /nfs/dbraw/zinc/77/64/46/419776446.db2.gz SMCFEZPMUANZEC-ZJUUUORDSA-N 1 1 290.385 -0.553 10 0 CBAEMO CO[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000662928647 419779178 /nfs/dbraw/zinc/77/91/78/419779178.db2.gz RRRNIMOJOICELF-WDEREUQCSA-N 1 1 271.361 -0.099 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662954120 419792646 /nfs/dbraw/zinc/79/26/46/419792646.db2.gz LJQJQXMBNPRFFO-RQJHMYQMSA-N 1 1 283.250 -0.631 10 0 CBAEMO CC(C)N1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649285925 419863756 /nfs/dbraw/zinc/86/37/56/419863756.db2.gz ATSQGMIMZKSRSR-LBPRGKRZSA-N 1 1 255.362 -0.225 10 0 CBAEMO C[C@@H]1CN(C(=O)Cc2cnnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000669320117 544747031 /nfs/dbraw/zinc/74/70/31/544747031.db2.gz KZISVSUMNIPVIU-YPMHNXCESA-N 1 1 293.371 -0.463 10 0 CBAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]([C@H]2CNC(=O)CN2)C1 ZINC000669378375 544748293 /nfs/dbraw/zinc/74/82/93/544748293.db2.gz BYOQDXXRWLFUNI-NXEZZACHSA-N 1 1 284.360 -0.717 10 0 CBAEMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367490604 420107128 /nfs/dbraw/zinc/10/71/28/420107128.db2.gz VONVLYNHUBSMLT-SWLSCSKDSA-N 1 1 297.399 -0.054 10 0 CBAEMO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CCN(C)CC1 ZINC000384339810 420200307 /nfs/dbraw/zinc/20/03/07/420200307.db2.gz CECACJDXKHFSOY-QWHCGFSZSA-N 1 1 268.405 -0.262 10 0 CBAEMO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCN(C)CC1 ZINC000384339809 420201064 /nfs/dbraw/zinc/20/10/64/420201064.db2.gz CECACJDXKHFSOY-OLZOCXBDSA-N 1 1 268.405 -0.262 10 0 CBAEMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370533167 420179739 /nfs/dbraw/zinc/17/97/39/420179739.db2.gz JHWXHFCDRIRQQD-YGRLFVJLSA-N 1 1 283.372 -0.254 10 0 CBAEMO CN(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398746236 420217526 /nfs/dbraw/zinc/21/75/26/420217526.db2.gz SJLJZOOSEZYPHL-QJPTWQEYSA-N 1 1 276.402 -0.029 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738847 420219498 /nfs/dbraw/zinc/21/94/98/420219498.db2.gz FLCHOVQVLAKYJA-GUBZILKMSA-N 1 1 255.318 -0.465 10 0 CBAEMO COCC[NH2+]Cc1cnn(C(C)C)c1S(N)(=O)=O ZINC000675076517 544924889 /nfs/dbraw/zinc/92/48/89/544924889.db2.gz YCNBJUXXQURFSR-UHFFFAOYSA-N 1 1 276.362 -0.153 10 0 CBAEMO C[N@H+](CC(=O)N1CCNC1=O)C[C@@H]1CCc2nccn2C1 ZINC000681928072 545052283 /nfs/dbraw/zinc/05/22/83/545052283.db2.gz GOBAPKPVSVJLCP-NSHDSACASA-N 1 1 291.355 -0.071 10 0 CBAEMO COCc1ncc(CNC(=O)[C@H]2CCC[N@H+]2C)c(N)n1 ZINC000582555347 420472858 /nfs/dbraw/zinc/47/28/58/420472858.db2.gz CFEZXBHZIUUVMS-SNVBAGLBSA-N 1 1 279.344 -0.084 10 0 CBAEMO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)nc1 ZINC000616638977 420497380 /nfs/dbraw/zinc/49/73/80/420497380.db2.gz MLUGJKMWNUCWEV-SECBINFHSA-N 1 1 256.331 -0.430 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262317564 276186660 /nfs/dbraw/zinc/18/66/60/276186660.db2.gz QYTJAEWGDVOXJH-WOPDTQHZSA-N 1 1 255.362 -0.036 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)NC(N)=O ZINC000106379372 276370534 /nfs/dbraw/zinc/37/05/34/276370534.db2.gz HOBIQNPEJICTEV-SNVBAGLBSA-N 1 1 256.350 -0.013 10 0 CBAEMO CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)NC(N)=O ZINC000106379372 276370535 /nfs/dbraw/zinc/37/05/35/276370535.db2.gz HOBIQNPEJICTEV-SNVBAGLBSA-N 1 1 256.350 -0.013 10 0 CBAEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)NC(N)=O ZINC000106379372 276370536 /nfs/dbraw/zinc/37/05/36/276370536.db2.gz HOBIQNPEJICTEV-SNVBAGLBSA-N 1 1 256.350 -0.013 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CC(N)=O ZINC000092630248 276377118 /nfs/dbraw/zinc/37/71/18/276377118.db2.gz RDZJOYJTVCVWHI-VHSXEESVSA-N 1 1 256.350 -0.868 10 0 CBAEMO C[C@H]1OCCN[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258689 545083621 /nfs/dbraw/zinc/08/36/21/545083621.db2.gz XIFYFOCLGUHDGA-MWLCHTKSSA-N 1 1 251.334 -0.184 10 0 CBAEMO C[C@@H]1CN(C(=O)CN(C)C)CC2(CC[NH2+]CC2)O1 ZINC000725272320 545083880 /nfs/dbraw/zinc/08/38/80/545083880.db2.gz OVHRXNAOIVMKGL-LLVKDONJSA-N 1 1 255.362 -0.083 10 0 CBAEMO CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262399077 277007320 /nfs/dbraw/zinc/00/73/20/277007320.db2.gz YMIPVKSBFPGLEB-MXWKQRLJSA-N 1 1 269.345 -0.652 10 0 CBAEMO COC1(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CCC1 ZINC000330136951 277185113 /nfs/dbraw/zinc/18/51/13/277185113.db2.gz UOWTVGIGSSACJT-SNVBAGLBSA-N 1 1 267.329 -0.802 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352092259 277305538 /nfs/dbraw/zinc/30/55/38/277305538.db2.gz JZDLFNUDCJIYEN-YNEHKIRRSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352092259 277305539 /nfs/dbraw/zinc/30/55/39/277305539.db2.gz JZDLFNUDCJIYEN-YNEHKIRRSA-N 1 1 258.362 -0.477 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352092259 277305541 /nfs/dbraw/zinc/30/55/41/277305541.db2.gz JZDLFNUDCJIYEN-YNEHKIRRSA-N 1 1 258.362 -0.477 10 0 CBAEMO C[C@@H](CNC(=O)[C@H]1NCCO[C@@H]1C)[N@@H+](C)C1CC1 ZINC000262084439 278281439 /nfs/dbraw/zinc/28/14/39/278281439.db2.gz CPHHNVSPOACWGB-UMNHJUIQSA-N 1 1 255.362 -0.038 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000357034162 280365289 /nfs/dbraw/zinc/36/52/89/280365289.db2.gz CPDXTBZTJVDLBM-IJLUTSLNSA-N 1 1 298.387 -0.388 10 0 CBAEMO CC[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246944411 281126265 /nfs/dbraw/zinc/12/62/65/281126265.db2.gz RXGJNJXKRZSVLA-JQWIXIFHSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC[C@H]1CN(C(=O)C(=O)NC2CC2)CC[N@H+]1C[C@H](C)O ZINC000246944411 281126269 /nfs/dbraw/zinc/12/62/69/281126269.db2.gz RXGJNJXKRZSVLA-JQWIXIFHSA-N 1 1 283.372 -0.431 10 0 CBAEMO CC[C@H]1CN(S(C)(=O)=O)CC[N@@H+]1CCOC ZINC000117372086 288296582 /nfs/dbraw/zinc/29/65/82/288296582.db2.gz HGTLMXKRVFWZFT-JTQLQIEISA-N 1 1 250.364 -0.011 10 0 CBAEMO CC[C@H]1CN(S(C)(=O)=O)CC[N@H+]1CCOC ZINC000117372086 288296583 /nfs/dbraw/zinc/29/65/83/288296583.db2.gz HGTLMXKRVFWZFT-JTQLQIEISA-N 1 1 250.364 -0.011 10 0 CBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCNCC1 ZINC000094460790 288305602 /nfs/dbraw/zinc/30/56/02/288305602.db2.gz RWBGPDDCDZJVNP-ZIAGYGMSSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCNCC1 ZINC000094460790 288305606 /nfs/dbraw/zinc/30/56/06/288305606.db2.gz RWBGPDDCDZJVNP-ZIAGYGMSSA-N 1 1 280.416 -0.023 10 0 CBAEMO C[C@@H]1COC[C@@H](C)N1CC(=O)N1CC[NH+](C)CC1 ZINC000121126222 288374860 /nfs/dbraw/zinc/37/48/60/288374860.db2.gz VINQSLMXUPTCCZ-VXGBXAGGSA-N 1 1 255.362 -0.130 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000247057541 290115744 /nfs/dbraw/zinc/11/57/44/290115744.db2.gz FQOXUABERQDFGS-WOPDTQHZSA-N 1 1 257.378 -0.150 10 0 CBAEMO [NH3+]Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)no1 ZINC000261881714 295279794 /nfs/dbraw/zinc/27/97/94/295279794.db2.gz YNJNMMCSZAEZSA-IUCAKERBSA-N 1 1 265.317 -0.229 10 0 CBAEMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000173850233 300125354 /nfs/dbraw/zinc/12/53/54/300125354.db2.gz VZPFBJYHAUNMOP-WDEREUQCSA-N 1 1 284.360 -0.776 10 0 CBAEMO Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])cc1 ZINC000040173599 301699632 /nfs/dbraw/zinc/69/96/32/301699632.db2.gz HYVRJQMROVEICM-WDEREUQCSA-N 1 1 289.378 -0.107 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CCCC1=O ZINC000405453693 334679785 /nfs/dbraw/zinc/67/97/85/334679785.db2.gz XIMVHZLHIAPMLU-KOLCDFICSA-N 1 1 255.318 -0.898 10 0 CBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000177137438 335366853 /nfs/dbraw/zinc/36/68/53/335366853.db2.gz CSPLRZCSAONGHI-MNOVXSKESA-N 1 1 291.417 -0.229 10 0 CBAEMO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC)C1=O ZINC000049200176 519888671 /nfs/dbraw/zinc/88/86/71/519888671.db2.gz FOABBZIXIXAZGX-BDAKNGLRSA-N 1 1 255.318 -0.362 10 0 CBAEMO CC[NH2+]CCC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061299565 519915566 /nfs/dbraw/zinc/91/55/66/519915566.db2.gz KKWLZCOZKBVIRB-UHFFFAOYSA-N 1 1 257.334 -0.395 10 0 CBAEMO CCOC(=O)CCS(=O)(=O)Nc1cc[nH+]cc1N ZINC000062725993 520691824 /nfs/dbraw/zinc/69/18/24/520691824.db2.gz IHBVVTQODQLUKE-UHFFFAOYSA-N 1 1 273.314 -0.219 10 0 CBAEMO CCNC(=O)[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000049199928 521743828 /nfs/dbraw/zinc/74/38/28/521743828.db2.gz CWPFZPSWFZSLDG-BDAKNGLRSA-N 1 1 255.318 -0.364 10 0 CBAEMO CC[C@@H](C(N)=O)N1CCN(CCCCC[NH3+])CC1 ZINC000061676140 521895684 /nfs/dbraw/zinc/89/56/84/521895684.db2.gz CGQLGCXSESBNTM-LBPRGKRZSA-N 1 1 256.394 -0.003 10 0 CBAEMO COCC[N@@H+](CC[C@H](N)C(=O)OC)[C@H](C)COC ZINC000062524446 523727026 /nfs/dbraw/zinc/72/70/26/523727026.db2.gz QPHOCEFEJBCSOK-MNOVXSKESA-N 1 1 262.350 -0.140 10 0 CBAEMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050669548 523843723 /nfs/dbraw/zinc/84/37/23/523843723.db2.gz LRMJAIJYQNSQAL-QMMMGPOBSA-N 1 1 271.346 -0.569 10 0 CBAEMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cnc(N)nc2)C1 ZINC000050669548 523843732 /nfs/dbraw/zinc/84/37/32/523843732.db2.gz LRMJAIJYQNSQAL-QMMMGPOBSA-N 1 1 271.346 -0.569 10 0 CBAEMO COCCNC(=O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564845 523897730 /nfs/dbraw/zinc/89/77/30/523897730.db2.gz WKRZZRHLAOVFRC-NWDGAFQWSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCNC(=O)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000049564845 523897737 /nfs/dbraw/zinc/89/77/37/523897737.db2.gz WKRZZRHLAOVFRC-NWDGAFQWSA-N 1 1 255.362 -0.035 10 0 CBAEMO COCCNC(=O)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568411 523914404 /nfs/dbraw/zinc/91/44/04/523914404.db2.gz HVXDSLVTQDDUIX-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO COCCNC(=O)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568411 523914408 /nfs/dbraw/zinc/91/44/08/523914408.db2.gz HVXDSLVTQDDUIX-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050660223 523982621 /nfs/dbraw/zinc/98/26/21/523982621.db2.gz JVQXNUUUJMUNHU-SECBINFHSA-N 1 1 270.358 -0.106 10 0 CBAEMO C[NH+](C)CC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2N)CC1 ZINC000054493294 524049852 /nfs/dbraw/zinc/04/98/52/524049852.db2.gz GITQCTYXXZHPJM-NWDGAFQWSA-N 1 1 275.418 -0.616 10 0 CBAEMO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000049559721 524160390 /nfs/dbraw/zinc/16/03/90/524160390.db2.gz KLGMUBJBTREQNA-ZJUUUORDSA-N 1 1 279.406 -0.795 10 0 CBAEMO C[C@H](CN1CCCC1)NS(=O)(=O)N(C)CCC[NH3+] ZINC000049181473 524316369 /nfs/dbraw/zinc/31/63/69/524316369.db2.gz ADUIIPPQAGXRMN-LLVKDONJSA-N 1 1 278.422 -0.414 10 0 CBAEMO Nc1ccc(C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC000050700849 527470711 /nfs/dbraw/zinc/47/07/11/527470711.db2.gz CGTXAPHLRXDUPQ-UHFFFAOYSA-N 1 1 265.317 -0.489 10 0 CBAEMO Nc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000055166605 527544252 /nfs/dbraw/zinc/54/42/52/527544252.db2.gz RSRBDJNBTVVSBL-ZETCQYMHSA-N 1 1 250.306 -0.399 10 0 CBAEMO O=C([O-])C[N@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000061145206 527609255 /nfs/dbraw/zinc/60/92/55/527609255.db2.gz BCMFIVXYVJIOBB-UHFFFAOYSA-N 1 1 255.318 -0.643 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000376674767 529227875 /nfs/dbraw/zinc/22/78/75/529227875.db2.gz VZCCZQLHLGTJSE-IUODEOHRSA-N 1 1 297.399 -0.182 10 0 CBAEMO COC[C@@H](O)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000171973275 536734711 /nfs/dbraw/zinc/73/47/11/536734711.db2.gz GIEMVEQBIRGZMG-NSHDSACASA-N 1 1 292.343 -0.746 10 0 CBAEMO CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000125056961 582120586 /nfs/dbraw/zinc/12/05/86/582120586.db2.gz STQRRSJXRLXCTP-LLVKDONJSA-N 1 1 291.417 -0.781 10 0 CBAEMO O=C(OCC[NH+]1CCSCC1)[C@@H]1CNC(=O)C1 ZINC000127558374 582121871 /nfs/dbraw/zinc/12/18/71/582121871.db2.gz FFWRVPXXBUNBPD-VIFPVBQESA-N 1 1 258.343 -0.286 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](CNC(=S)NCCOC)C1 ZINC000134687608 582124920 /nfs/dbraw/zinc/12/49/20/582124920.db2.gz QDRLBSZLBQDFME-JTQLQIEISA-N 1 1 261.391 -0.182 10 0 CBAEMO CC[N@H+]1CCO[C@@H](CNC(=S)NCCOC)C1 ZINC000134687608 582124922 /nfs/dbraw/zinc/12/49/22/582124922.db2.gz QDRLBSZLBQDFME-JTQLQIEISA-N 1 1 261.391 -0.182 10 0 CBAEMO CC[C@@H](C(=O)N1CCC[C@@](O)(c2c[nH]nn2)C1)[NH+](C)C ZINC000794121009 582403088 /nfs/dbraw/zinc/40/30/88/582403088.db2.gz SZVSYLMJCFWGGC-GWCFXTLKSA-N 1 1 281.360 -0.045 10 0 CBAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CC(N)=O)C1 ZINC000886082621 584430832 /nfs/dbraw/zinc/43/08/32/584430832.db2.gz XSYJPXXNQXYXQO-UTUOFQBUSA-N 1 1 283.372 -0.038 10 0 CBAEMO CCCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037627081 656003368 /nfs/dbraw/zinc/00/33/68/656003368.db2.gz LTIHWELNHIZSTI-NSHDSACASA-N 1 1 292.339 -0.032 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000037750133 656003428 /nfs/dbraw/zinc/00/34/28/656003428.db2.gz AOKUQUHBQDLRQQ-NKWVEPMBSA-N 1 1 267.251 -0.010 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000037797802 656004136 /nfs/dbraw/zinc/00/41/36/656004136.db2.gz AMPQKCCZTQLUCD-SNVBAGLBSA-N 1 1 292.339 -0.757 10 0 CBAEMO COCc1cccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000038011022 656004766 /nfs/dbraw/zinc/00/47/66/656004766.db2.gz DRQLJCIFUGURQE-LLVKDONJSA-N 1 1 265.313 -0.348 10 0 CBAEMO Cc1nc2ccccc2n1CCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000040828767 656005207 /nfs/dbraw/zinc/00/52/07/656005207.db2.gz FZQLYEFECQNULE-SNVBAGLBSA-N 1 1 289.339 -0.336 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000040833093 656006376 /nfs/dbraw/zinc/00/63/76/656006376.db2.gz IHJMQJKKTLQIBT-LLVKDONJSA-N 1 1 290.323 -0.045 10 0 CBAEMO Cc1cccc(OCCNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000042897705 656008342 /nfs/dbraw/zinc/00/83/42/656008342.db2.gz NMIHXIYEEDYMRS-NSHDSACASA-N 1 1 265.313 -0.307 10 0 CBAEMO COc1ccccc1CCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000083481578 656050554 /nfs/dbraw/zinc/05/05/54/656050554.db2.gz GXHBPDUPVXRSHK-JTQLQIEISA-N 1 1 265.313 -0.443 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000094996618 656061655 /nfs/dbraw/zinc/06/16/55/656061655.db2.gz FFRLBVOXGXSFMM-UWVGGRQHSA-N 1 1 268.313 -0.124 10 0 CBAEMO CNC(=O)NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094996506 656061720 /nfs/dbraw/zinc/06/17/20/656061720.db2.gz OWYPIIBMSTXWAG-IUCAKERBSA-N 1 1 271.317 -0.427 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1C ZINC000094996693 656061930 /nfs/dbraw/zinc/06/19/30/656061930.db2.gz NIZSVYASQRQZES-BDAKNGLRSA-N 1 1 269.301 -0.721 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CN1C(=O)C(=O)N(C)C1=O ZINC000153196347 656071644 /nfs/dbraw/zinc/07/16/44/656071644.db2.gz GSZHMHMEBQAATH-NXEZZACHSA-N 1 1 280.328 -0.467 10 0 CBAEMO CCCN1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000172502778 656084582 /nfs/dbraw/zinc/08/45/82/656084582.db2.gz SHFMDPQWOXFZTD-LLVKDONJSA-N 1 1 294.355 -0.075 10 0 CBAEMO Cn1ncc2c1nnn(CN1CC[N@H+]3CCC[C@@H]3C1)c2=O ZINC000175698478 656086828 /nfs/dbraw/zinc/08/68/28/656086828.db2.gz KJHMJOKBMSIBTO-SNVBAGLBSA-N 1 1 289.343 -0.738 10 0 CBAEMO COCC[N@H+]1CCN(CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000182281047 656092648 /nfs/dbraw/zinc/09/26/48/656092648.db2.gz PUBFZZIUWUHJLS-LLVKDONJSA-N 1 1 284.360 -0.510 10 0 CBAEMO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000189153249 656097506 /nfs/dbraw/zinc/09/75/06/656097506.db2.gz FBKMOTNGKIVUGV-QWHCGFSZSA-N 1 1 283.372 -0.402 10 0 CBAEMO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000189153249 656097509 /nfs/dbraw/zinc/09/75/09/656097509.db2.gz FBKMOTNGKIVUGV-QWHCGFSZSA-N 1 1 283.372 -0.402 10 0 CBAEMO COCC[N@H+]1CCN(CN2C[C@H](OC)CC2=O)C[C@H]1C ZINC000189136423 656097744 /nfs/dbraw/zinc/09/77/44/656097744.db2.gz CLQZAUWMIAUDAJ-CHWSQXEVSA-N 1 1 285.388 -0.156 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1C ZINC000227753249 656108783 /nfs/dbraw/zinc/10/87/83/656108783.db2.gz ZYVZPWYAJZYPLL-DTWKUNHWSA-N 1 1 269.301 -0.721 10 0 CBAEMO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000227806628 656108819 /nfs/dbraw/zinc/10/88/19/656108819.db2.gz RTNKWTLFZWBYGT-XHNCKOQMSA-N 1 1 259.375 -0.021 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227748519 656108875 /nfs/dbraw/zinc/10/88/75/656108875.db2.gz XYMMQXSQMNJLTB-JGVFFNPUSA-N 1 1 257.290 -0.817 10 0 CBAEMO CC(C)N1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000246882921 656119099 /nfs/dbraw/zinc/11/90/99/656119099.db2.gz BBNJOHOUNQPKGT-NSHDSACASA-N 1 1 294.355 -0.077 10 0 CBAEMO CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248950945 656120342 /nfs/dbraw/zinc/12/03/42/656120342.db2.gz FBKMOTNGKIVUGV-CHWSQXEVSA-N 1 1 283.372 -0.402 10 0 CBAEMO CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000248950945 656120344 /nfs/dbraw/zinc/12/03/44/656120344.db2.gz FBKMOTNGKIVUGV-CHWSQXEVSA-N 1 1 283.372 -0.402 10 0 CBAEMO COC(=O)/C(C)=C\C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310938003 656145091 /nfs/dbraw/zinc/14/50/91/656145091.db2.gz VJCVQSHSGHXGHJ-REPPVQDKSA-N 1 1 256.302 -0.582 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705390354 656185999 /nfs/dbraw/zinc/18/59/99/656185999.db2.gz YHFMHCDAUIZFIY-FRRDWIJNSA-N 1 1 261.362 -0.303 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000710783630 656201988 /nfs/dbraw/zinc/20/19/88/656201988.db2.gz NJXFEWMROVUDIW-GXTWGEPZSA-N 1 1 285.388 -0.408 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000710783630 656201993 /nfs/dbraw/zinc/20/19/93/656201993.db2.gz NJXFEWMROVUDIW-GXTWGEPZSA-N 1 1 285.388 -0.408 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(N)=O)C[C@H]1C ZINC000906816649 656402491 /nfs/dbraw/zinc/40/24/91/656402491.db2.gz UVMVCRZNAOWTAK-ZJUUUORDSA-N 1 1 257.334 -0.835 10 0 CBAEMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000908061148 656633367 /nfs/dbraw/zinc/63/33/67/656633367.db2.gz YWRWPJJVAVZLTG-RULNRJAQSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000908061148 656633373 /nfs/dbraw/zinc/63/33/73/656633373.db2.gz YWRWPJJVAVZLTG-RULNRJAQSA-N 1 1 283.372 -0.385 10 0 CBAEMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909186549 656793795 /nfs/dbraw/zinc/79/37/95/656793795.db2.gz INISXFIEOQKGKZ-WZRBSPASSA-N 1 1 275.312 -0.121 10 0 CBAEMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909186547 656794222 /nfs/dbraw/zinc/79/42/22/656794222.db2.gz INISXFIEOQKGKZ-NQBHXWOUSA-N 1 1 275.312 -0.121 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000929811874 659176719 /nfs/dbraw/zinc/17/67/19/659176719.db2.gz DRQLQZRCKDJHCN-YVECIDJPSA-N 1 1 258.362 -0.619 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](C[C@H](O)[C@H](C)O)C1 ZINC000930398624 659277485 /nfs/dbraw/zinc/27/74/85/659277485.db2.gz XYDLVMQJDFFOHW-CYDGBPFRSA-N 1 1 286.372 -0.560 10 0 CBAEMO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000930528961 659303678 /nfs/dbraw/zinc/30/36/78/659303678.db2.gz SBVWXFNKZNREAI-SRVKXCTJSA-N 1 1 291.355 -0.043 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000376674770 529699214 /nfs/dbraw/zinc/69/92/14/529699214.db2.gz VZCCZQLHLGTJSE-SWLSCSKDSA-N 1 1 297.399 -0.182 10 0 CBAEMO C[NH2+][C@@H](C)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000104410199 185991279 /nfs/dbraw/zinc/99/12/79/185991279.db2.gz HXDVZCFTZLQCDJ-DTWKUNHWSA-N 1 1 256.350 -0.110 10 0 CBAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)NC(N)=O)CC2)cn1 ZINC000105869096 186081073 /nfs/dbraw/zinc/08/10/73/186081073.db2.gz TVGMQKXRCRXJGY-UHFFFAOYSA-N 1 1 294.359 -0.877 10 0 CBAEMO Cn1cc(C[N@H+]2CCCN(CC(=O)NC(N)=O)CC2)cn1 ZINC000105869096 186081075 /nfs/dbraw/zinc/08/10/75/186081075.db2.gz TVGMQKXRCRXJGY-UHFFFAOYSA-N 1 1 294.359 -0.877 10 0 CBAEMO COCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@H]1C ZINC000105832563 186075085 /nfs/dbraw/zinc/07/50/85/186075085.db2.gz LQDDOOVQMRFGMI-SECBINFHSA-N 1 1 281.364 -0.812 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000105832327 186075880 /nfs/dbraw/zinc/07/58/80/186075880.db2.gz MQEDGVRISMJBGN-NSHDSACASA-N 1 1 284.360 -0.809 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000105832327 186075882 /nfs/dbraw/zinc/07/58/82/186075882.db2.gz MQEDGVRISMJBGN-NSHDSACASA-N 1 1 284.360 -0.809 10 0 CBAEMO Cc1nn(C)c(C)c1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000092328457 180363051 /nfs/dbraw/zinc/36/30/51/180363051.db2.gz RDPUVIFBMRSZKP-NSHDSACASA-N 1 1 252.318 -0.358 10 0 CBAEMO CC[C@H]1CN(CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC000107304041 186169047 /nfs/dbraw/zinc/16/90/47/186169047.db2.gz MBNPPRROTAIZPQ-LBPRGKRZSA-N 1 1 293.433 -0.422 10 0 CBAEMO NC(=O)[C@@H](Cc1ccccc1)[NH+](CCO)CCO ZINC000001692070 351305938 /nfs/dbraw/zinc/30/59/38/351305938.db2.gz SALRNDTWOMKZLW-GFCCVEGCSA-N 1 1 252.314 -0.630 10 0 CBAEMO NC(=O)C[NH+]1CCC(Nc2ccnc(C(N)=O)c2)CC1 ZINC000038007297 351411787 /nfs/dbraw/zinc/41/17/87/351411787.db2.gz HKGDQLZHUNPEOA-UHFFFAOYSA-N 1 1 277.328 -0.458 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581901 351510646 /nfs/dbraw/zinc/51/06/46/351510646.db2.gz LFHCHIFBWQKUOK-UWVGGRQHSA-N 1 1 260.334 -0.652 10 0 CBAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051581901 351510648 /nfs/dbraw/zinc/51/06/48/351510648.db2.gz LFHCHIFBWQKUOK-UWVGGRQHSA-N 1 1 260.334 -0.652 10 0 CBAEMO COCCN1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115373 351574645 /nfs/dbraw/zinc/57/46/45/351574645.db2.gz MKIPVDIAMGHUII-LBPRGKRZSA-N 1 1 255.362 -0.223 10 0 CBAEMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COC(C)(C)C ZINC000073020768 351653060 /nfs/dbraw/zinc/65/30/60/351653060.db2.gz KQFUQXWBBYSSNC-GFCCVEGCSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COC(C)(C)C ZINC000073020768 351653063 /nfs/dbraw/zinc/65/30/63/351653063.db2.gz KQFUQXWBBYSSNC-GFCCVEGCSA-N 1 1 288.388 -0.047 10 0 CBAEMO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088370258 351724087 /nfs/dbraw/zinc/72/40/87/351724087.db2.gz LBWSXFFZRFLCKR-NXEZZACHSA-N 1 1 255.318 -0.898 10 0 CBAEMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088357825 351724144 /nfs/dbraw/zinc/72/41/44/351724144.db2.gz ITZSHNYZUFRHLX-GHMZBOCLSA-N 1 1 270.329 -0.224 10 0 CBAEMO COC(=O)C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088357828 351724528 /nfs/dbraw/zinc/72/45/28/351724528.db2.gz SLOAYEKHJWLABH-SNVBAGLBSA-N 1 1 256.302 -0.614 10 0 CBAEMO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1COCC[NH2+]1 ZINC000088371645 351725119 /nfs/dbraw/zinc/72/51/19/351725119.db2.gz SAOUMTLZFCXKAF-GHMZBOCLSA-N 1 1 278.308 -0.069 10 0 CBAEMO CCC[N@H+](CC(=O)NC)C[C@H](O)CN1CCCC1=O ZINC000111684771 351804520 /nfs/dbraw/zinc/80/45/20/351804520.db2.gz IGOQWEBLPNZVKM-NSHDSACASA-N 1 1 271.361 -0.572 10 0 CBAEMO COCC[N@H+]1CCN(Cc2nncn2C)C[C@H]1C ZINC000105834271 351791845 /nfs/dbraw/zinc/79/18/45/351791845.db2.gz LXQITFAAWDYQLY-LLVKDONJSA-N 1 1 253.350 -0.032 10 0 CBAEMO COCC[N@@H+]1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1C ZINC000105914004 351793169 /nfs/dbraw/zinc/79/31/69/351793169.db2.gz CVJBASXLPDKYSB-KBPBESRZSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCC[N@H+]1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1C ZINC000105914004 351793172 /nfs/dbraw/zinc/79/31/72/351793172.db2.gz CVJBASXLPDKYSB-KBPBESRZSA-N 1 1 299.415 -0.066 10 0 CBAEMO COCCCNC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105913638 351793263 /nfs/dbraw/zinc/79/32/63/351793263.db2.gz VHZZAJKOAIOJGF-CYBMUJFWSA-N 1 1 287.404 -0.208 10 0 CBAEMO COCCCNC(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000105913638 351793264 /nfs/dbraw/zinc/79/32/64/351793264.db2.gz VHZZAJKOAIOJGF-CYBMUJFWSA-N 1 1 287.404 -0.208 10 0 CBAEMO COC(=O)CC[NH+]1CCN(Cc2nnc(C)n2C)CC1 ZINC000110388446 351799289 /nfs/dbraw/zinc/79/92/89/351799289.db2.gz BDGUSVKZCSWNLQ-UHFFFAOYSA-N 1 1 281.360 -0.196 10 0 CBAEMO Cc1nccnc1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000095069528 351766185 /nfs/dbraw/zinc/76/61/85/351766185.db2.gz DNEPUAJBWPOMBO-QMMMGPOBSA-N 1 1 256.331 -0.233 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)cn1 ZINC000116311613 351821535 /nfs/dbraw/zinc/82/15/35/351821535.db2.gz KSASSVUMHXFMRX-SNVBAGLBSA-N 1 1 272.374 -0.241 10 0 CBAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC000116310966 351821860 /nfs/dbraw/zinc/82/18/60/351821860.db2.gz CLBJLSHDMSZIDK-NSHDSACASA-N 1 1 291.355 -0.832 10 0 CBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)cn1 ZINC000116310966 351821864 /nfs/dbraw/zinc/82/18/64/351821864.db2.gz CLBJLSHDMSZIDK-NSHDSACASA-N 1 1 291.355 -0.832 10 0 CBAEMO COCCNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117467542 351826805 /nfs/dbraw/zinc/82/68/05/351826805.db2.gz DEXHEHRSQUOQLS-NSHDSACASA-N 1 1 259.350 -0.005 10 0 CBAEMO COCCNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117467542 351826809 /nfs/dbraw/zinc/82/68/09/351826809.db2.gz DEXHEHRSQUOQLS-NSHDSACASA-N 1 1 259.350 -0.005 10 0 CBAEMO CNC(=O)NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267813 351812749 /nfs/dbraw/zinc/81/27/49/351812749.db2.gz QTNSNMRDFAJZNV-VHSXEESVSA-N 1 1 254.334 -0.390 10 0 CBAEMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(N)=O ZINC000151246053 351934655 /nfs/dbraw/zinc/93/46/55/351934655.db2.gz HUNATKAHGRLCQO-NXEZZACHSA-N 1 1 256.350 -0.158 10 0 CBAEMO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000131309033 351885548 /nfs/dbraw/zinc/88/55/48/351885548.db2.gz UDLPNPDARHRGDH-SNVBAGLBSA-N 1 1 271.361 -0.445 10 0 CBAEMO NC(=O)c1cc(NC[C@H]2C[NH+]3CCN2CC3)ccn1 ZINC000132845563 351895174 /nfs/dbraw/zinc/89/51/74/351895174.db2.gz NJJRHFBITSDBSJ-NSHDSACASA-N 1 1 261.329 -0.408 10 0 CBAEMO Cc1cc(Br)cn(C[C@@H]([NH3+])C(N)=O)c1=O ZINC000156909793 351953817 /nfs/dbraw/zinc/95/38/17/351953817.db2.gz RQTUHPFHHZYRMV-SSDOTTSWSA-N 1 1 274.118 -0.268 10 0 CBAEMO COCCN1CCN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1C ZINC000168033337 351991322 /nfs/dbraw/zinc/99/13/22/351991322.db2.gz RYENBUVIQZJSPX-MNOVXSKESA-N 1 1 273.402 -0.172 10 0 CBAEMO O=C([C@@H]1CSC[NH2+]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000168236477 351993070 /nfs/dbraw/zinc/99/30/70/351993070.db2.gz IDJIPKGNFFNPQJ-QWRGUYRKSA-N 1 1 282.369 -0.227 10 0 CBAEMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171620455 352013725 /nfs/dbraw/zinc/01/37/25/352013725.db2.gz ITNKQCASQCCXFB-SNVBAGLBSA-N 1 1 280.332 -0.110 10 0 CBAEMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171616985 352013733 /nfs/dbraw/zinc/01/37/33/352013733.db2.gz FXJPMLGTRVCEQY-NSHDSACASA-N 1 1 295.343 -0.406 10 0 CBAEMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171616985 352013737 /nfs/dbraw/zinc/01/37/37/352013737.db2.gz FXJPMLGTRVCEQY-NSHDSACASA-N 1 1 295.343 -0.406 10 0 CBAEMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000177042208 352070524 /nfs/dbraw/zinc/07/05/24/352070524.db2.gz RZFSFDLJXFIJDK-QWRGUYRKSA-N 1 1 271.361 -0.716 10 0 CBAEMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1N1CCOCC1 ZINC000177256831 352072870 /nfs/dbraw/zinc/07/28/70/352072870.db2.gz GZCJWKFIFJRXIB-YPMHNXCESA-N 1 1 267.373 -0.083 10 0 CBAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171930518 352018204 /nfs/dbraw/zinc/01/82/04/352018204.db2.gz MRHFGUKLBFQSMC-LLVKDONJSA-N 1 1 295.343 -0.406 10 0 CBAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCNC1=O ZINC000178628466 352081161 /nfs/dbraw/zinc/08/11/61/352081161.db2.gz RJWSZYACZJFDRZ-JTQLQIEISA-N 1 1 252.318 -0.682 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000179172438 352088239 /nfs/dbraw/zinc/08/82/39/352088239.db2.gz QUSDLIQWSIWLBW-MQYQWHSLSA-N 1 1 298.383 -0.416 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000179172438 352088240 /nfs/dbraw/zinc/08/82/40/352088240.db2.gz QUSDLIQWSIWLBW-MQYQWHSLSA-N 1 1 298.383 -0.416 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)C[C@H](C)O1 ZINC000179183582 352088430 /nfs/dbraw/zinc/08/84/30/352088430.db2.gz NZSIMUQQNOJLQA-WRWGMCAJSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)C[C@H](C)O1 ZINC000179183582 352088433 /nfs/dbraw/zinc/08/84/33/352088433.db2.gz NZSIMUQQNOJLQA-WRWGMCAJSA-N 1 1 272.345 -0.950 10 0 CBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000179172428 352088515 /nfs/dbraw/zinc/08/85/15/352088515.db2.gz QUSDLIQWSIWLBW-YIYPIFLZSA-N 1 1 298.383 -0.416 10 0 CBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000179172428 352088516 /nfs/dbraw/zinc/08/85/16/352088516.db2.gz QUSDLIQWSIWLBW-YIYPIFLZSA-N 1 1 298.383 -0.416 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](C(=O)NC)C2)C1 ZINC000181660238 352101200 /nfs/dbraw/zinc/10/12/00/352101200.db2.gz JYJMDMZHTJZIPM-RYUDHWBXSA-N 1 1 298.387 -0.373 10 0 CBAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184721682 352113217 /nfs/dbraw/zinc/11/32/17/352113217.db2.gz APQRONKUQOSTOP-IJLUTSLNSA-N 1 1 256.346 -0.185 10 0 CBAEMO O=c1c2ccccc2ncn1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185140425 352116265 /nfs/dbraw/zinc/11/62/65/352116265.db2.gz RYQYBFAUEZHERB-NEPJUHHUSA-N 1 1 289.335 -0.176 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185150661 352116487 /nfs/dbraw/zinc/11/64/87/352116487.db2.gz DKKJFADCHXOJIE-GHMZBOCLSA-N 1 1 290.319 -0.290 10 0 CBAEMO CCCCOCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185185328 352117531 /nfs/dbraw/zinc/11/75/31/352117531.db2.gz JGBXAJDMRAECHJ-VXGBXAGGSA-N 1 1 274.361 -0.653 10 0 CBAEMO CCCCOCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185185328 352117533 /nfs/dbraw/zinc/11/75/33/352117533.db2.gz JGBXAJDMRAECHJ-VXGBXAGGSA-N 1 1 274.361 -0.653 10 0 CBAEMO O=C(NCC1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000191831377 352193018 /nfs/dbraw/zinc/19/30/18/352193018.db2.gz OFWRRSLRKWZZQR-NSHDSACASA-N 1 1 251.330 -0.181 10 0 CBAEMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188102878 352147828 /nfs/dbraw/zinc/14/78/28/352147828.db2.gz MHYDZAVCAYDHOX-QWRGUYRKSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[N@H+]1CCO[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188102878 352147832 /nfs/dbraw/zinc/14/78/32/352147832.db2.gz MHYDZAVCAYDHOX-QWRGUYRKSA-N 1 1 269.345 -0.556 10 0 CBAEMO Cn1cc(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000195188632 352222935 /nfs/dbraw/zinc/22/29/35/352222935.db2.gz ZWYUYNGJZUXJAQ-LLVKDONJSA-N 1 1 262.313 -0.091 10 0 CBAEMO COC(=O)CNC(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513244 352227619 /nfs/dbraw/zinc/22/76/19/352227619.db2.gz MDNOHWZILVRAGF-UHFFFAOYSA-N 1 1 294.355 -0.111 10 0 CBAEMO CCOC(=O)[C@@H]([NH3+])C/C=C/[C@H](NC(C)=O)C(=O)OCC ZINC000217852842 352233799 /nfs/dbraw/zinc/23/37/99/352233799.db2.gz PHQNSHGWWAZZLV-SIPGATMPSA-N 1 1 286.328 -0.109 10 0 CBAEMO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1nnc[nH]1 ZINC000226409458 352252475 /nfs/dbraw/zinc/25/24/75/352252475.db2.gz GWCSNLZAMVJZKU-SECBINFHSA-N 1 1 266.349 -0.334 10 0 CBAEMO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000226733504 352253974 /nfs/dbraw/zinc/25/39/74/352253974.db2.gz PLIFHQULERLSCL-OLZOCXBDSA-N 1 1 286.372 -0.293 10 0 CBAEMO C[C@H](O)C1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000235544570 352287773 /nfs/dbraw/zinc/28/77/73/352287773.db2.gz SDLMTPPSEFEIAZ-LBPRGKRZSA-N 1 1 269.389 -0.099 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NC(N)=O ZINC000245424043 352320058 /nfs/dbraw/zinc/32/00/58/352320058.db2.gz JVEICCYFRHMDSK-ZJUUUORDSA-N 1 1 254.334 -0.260 10 0 CBAEMO O=C(NCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO)C(F)(F)F ZINC000248387139 352351957 /nfs/dbraw/zinc/35/19/57/352351957.db2.gz AGFULSPFOGLNFB-SFYZADRCSA-N 1 1 270.251 -0.518 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCOC2)C[C@@H]1C ZINC000248598927 352354301 /nfs/dbraw/zinc/35/43/01/352354301.db2.gz ISNXHYCDINHCNT-SRVKXCTJSA-N 1 1 271.361 -0.128 10 0 CBAEMO Cn1cc(CN2CC[N@H+]3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000245571196 352322670 /nfs/dbraw/zinc/32/26/70/352322670.db2.gz XQYURKXOUYMQGN-ZDUSSCGKSA-N 1 1 292.383 -0.246 10 0 CBAEMO Cn1cc(C[N@@H+]2CCN3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000245571196 352322675 /nfs/dbraw/zinc/32/26/75/352322675.db2.gz XQYURKXOUYMQGN-ZDUSSCGKSA-N 1 1 292.383 -0.246 10 0 CBAEMO Cn1cc(C[N@H+]2CCN3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000245571196 352322678 /nfs/dbraw/zinc/32/26/78/352322678.db2.gz XQYURKXOUYMQGN-ZDUSSCGKSA-N 1 1 292.383 -0.246 10 0 CBAEMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000248638950 352354897 /nfs/dbraw/zinc/35/48/97/352354897.db2.gz MOHLWPHCNSIYSL-NXEZZACHSA-N 1 1 258.318 -0.774 10 0 CBAEMO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000246283288 352331772 /nfs/dbraw/zinc/33/17/72/352331772.db2.gz AZNQSNCHDDLLKO-BXUZGUMPSA-N 1 1 284.356 -0.145 10 0 CBAEMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1N1CCOCC1 ZINC000246495942 352333179 /nfs/dbraw/zinc/33/31/79/352333179.db2.gz PQDPZQNDRKIZHH-CHWSQXEVSA-N 1 1 258.362 -0.352 10 0 CBAEMO C[NH2+]CCCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246742445 352337721 /nfs/dbraw/zinc/33/77/21/352337721.db2.gz ZDRHPONNSYQYCD-NEPJUHHUSA-N 1 1 257.378 -0.101 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)C[C@H]1C ZINC000247143302 352343777 /nfs/dbraw/zinc/34/37/77/352343777.db2.gz PISXVRSEFHIMPJ-NEPJUHHUSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)C[C@H]1C ZINC000247143302 352343782 /nfs/dbraw/zinc/34/37/82/352343782.db2.gz PISXVRSEFHIMPJ-NEPJUHHUSA-N 1 1 283.372 -0.308 10 0 CBAEMO CCOC(=O)CN(C)C(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247405634 352345828 /nfs/dbraw/zinc/34/58/28/352345828.db2.gz BSXIUWRDTOKQIJ-LBPRGKRZSA-N 1 1 283.372 -0.212 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnnn1 ZINC000247534465 352347346 /nfs/dbraw/zinc/34/73/46/352347346.db2.gz XWGHROMKYWPJPA-ZJUUUORDSA-N 1 1 250.306 -0.632 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247582957 352348312 /nfs/dbraw/zinc/34/83/12/352348312.db2.gz LTQRMXGZNJXZOQ-LBPRGKRZSA-N 1 1 291.417 -0.021 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247582957 352348316 /nfs/dbraw/zinc/34/83/16/352348316.db2.gz LTQRMXGZNJXZOQ-LBPRGKRZSA-N 1 1 291.417 -0.021 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000249055087 352359612 /nfs/dbraw/zinc/35/96/12/352359612.db2.gz OWSVMNGFUCLCSK-UPJWGTAASA-N 1 1 286.372 -0.247 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000261912259 352399644 /nfs/dbraw/zinc/39/96/44/352399644.db2.gz JFANCHCPSQLGRI-KOLCDFICSA-N 1 1 271.361 -0.264 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000250307284 352372226 /nfs/dbraw/zinc/37/22/26/352372226.db2.gz LJGXLBSNMDPSIP-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000250307284 352372229 /nfs/dbraw/zinc/37/22/29/352372229.db2.gz LJGXLBSNMDPSIP-QJPTWQEYSA-N 1 1 255.362 -0.036 10 0 CBAEMO CC1(C)NC(=O)N(CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000261679336 352393278 /nfs/dbraw/zinc/39/32/78/352393278.db2.gz GPSMKDRDFFWIDW-DCAQKATOSA-N 1 1 280.372 -0.014 10 0 CBAEMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000261934758 352400865 /nfs/dbraw/zinc/40/08/65/352400865.db2.gz MCPXFZFODHYOOK-IIEKFROSSA-N 1 1 281.356 -0.511 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000261938470 352400943 /nfs/dbraw/zinc/40/09/43/352400943.db2.gz MOQOIGCXVHAIFW-PWSUYJOCSA-N 1 1 269.345 -0.508 10 0 CBAEMO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261867519 352398578 /nfs/dbraw/zinc/39/85/78/352398578.db2.gz CVPXGZRJRVPQFW-YTWAJWBKSA-N 1 1 271.361 -0.217 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000249055086 352359366 /nfs/dbraw/zinc/35/93/66/352359366.db2.gz OWSVMNGFUCLCSK-JHJVBQTASA-N 1 1 286.372 -0.247 10 0 CBAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263258834 352441171 /nfs/dbraw/zinc/44/11/71/352441171.db2.gz QSJAJJOACAKKTR-ZJUUUORDSA-N 1 1 276.331 -0.654 10 0 CBAEMO C[C@@H](CN1CCOCC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262287825 352413975 /nfs/dbraw/zinc/41/39/75/352413975.db2.gz OMAVAGKYCHPDQO-TUAOUCFPSA-N 1 1 271.361 -0.800 10 0 CBAEMO CCOCCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262306677 352415717 /nfs/dbraw/zinc/41/57/17/352415717.db2.gz QCOKMPUEKNDBCJ-OLZOCXBDSA-N 1 1 285.388 -0.456 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CCOC[C@@H]1C ZINC000262350164 352418106 /nfs/dbraw/zinc/41/81/06/352418106.db2.gz UJPFONRYSOIFJL-TUAOUCFPSA-N 1 1 271.361 -0.800 10 0 CBAEMO C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000262383662 352419561 /nfs/dbraw/zinc/41/95/61/352419561.db2.gz XFPMMXMTLPDMQX-XQHKEYJVSA-N 1 1 285.388 -0.411 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000263241286 352439942 /nfs/dbraw/zinc/43/99/42/352439942.db2.gz LFLMZNOBRKFUKA-VXGBXAGGSA-N 1 1 273.377 -0.567 10 0 CBAEMO C[C@@H]1CN(CCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263251397 352440317 /nfs/dbraw/zinc/44/03/17/352440317.db2.gz DXVPNVUYIHNMMJ-PHIMTYICSA-N 1 1 255.362 -0.179 10 0 CBAEMO CC(C)N1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000262036088 352404268 /nfs/dbraw/zinc/40/42/68/352404268.db2.gz XYSNALXBMGUDBO-SCVCMEIPSA-N 1 1 269.345 -0.511 10 0 CBAEMO CC(C)N1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000262036087 352404483 /nfs/dbraw/zinc/40/44/83/352404483.db2.gz XYSNALXBMGUDBO-FOGDFJRCSA-N 1 1 269.345 -0.511 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000262138754 352408125 /nfs/dbraw/zinc/40/81/25/352408125.db2.gz GZROVTSNYOPIDD-SKDRFNHKSA-N 1 1 288.311 -0.022 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000286324187 352642231 /nfs/dbraw/zinc/64/22/31/352642231.db2.gz WCLSGJHTJMQROR-CQSZACIVSA-N 1 1 277.324 -0.063 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000286324187 352642234 /nfs/dbraw/zinc/64/22/34/352642234.db2.gz WCLSGJHTJMQROR-CQSZACIVSA-N 1 1 277.324 -0.063 10 0 CBAEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312752880 352775816 /nfs/dbraw/zinc/77/58/16/352775816.db2.gz ZLTSOCZSGJHZME-MISXGVKJSA-N 1 1 285.388 -0.008 10 0 CBAEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312752882 352776024 /nfs/dbraw/zinc/77/60/24/352776024.db2.gz ZLTSOCZSGJHZME-WDMOLILDSA-N 1 1 285.388 -0.008 10 0 CBAEMO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ncc[nH]1 ZINC000310305830 352759312 /nfs/dbraw/zinc/75/93/12/352759312.db2.gz VKBNTIJCCMQZPC-VIFPVBQESA-N 1 1 258.347 -0.018 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ncc[nH]1 ZINC000310305830 352759313 /nfs/dbraw/zinc/75/93/13/352759313.db2.gz VKBNTIJCCMQZPC-VIFPVBQESA-N 1 1 258.347 -0.018 10 0 CBAEMO CN(C)[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000310805406 352761705 /nfs/dbraw/zinc/76/17/05/352761705.db2.gz BFGZDLWXUKGHFJ-OLZOCXBDSA-N 1 1 257.378 -0.685 10 0 CBAEMO CN(C)[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000310805406 352761709 /nfs/dbraw/zinc/76/17/09/352761709.db2.gz BFGZDLWXUKGHFJ-OLZOCXBDSA-N 1 1 257.378 -0.685 10 0 CBAEMO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311054793 352765014 /nfs/dbraw/zinc/76/50/14/352765014.db2.gz VPJULKQWVOFKAA-CABZTGNLSA-N 1 1 256.302 -0.750 10 0 CBAEMO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311054793 352765016 /nfs/dbraw/zinc/76/50/16/352765016.db2.gz VPJULKQWVOFKAA-CABZTGNLSA-N 1 1 256.302 -0.750 10 0 CBAEMO CC(C)CNC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311197007 352767440 /nfs/dbraw/zinc/76/74/40/352767440.db2.gz IQSUXKHMVQWWEU-LBPRGKRZSA-N 1 1 257.334 -0.929 10 0 CBAEMO CC(C)CNC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000311197007 352767443 /nfs/dbraw/zinc/76/74/43/352767443.db2.gz IQSUXKHMVQWWEU-LBPRGKRZSA-N 1 1 257.334 -0.929 10 0 CBAEMO O=S1(=O)CCCN1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000336714616 353048705 /nfs/dbraw/zinc/04/87/05/353048705.db2.gz UHYCGGQOCDHPDQ-LLVKDONJSA-N 1 1 262.375 -0.274 10 0 CBAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336786041 353051697 /nfs/dbraw/zinc/05/16/97/353051697.db2.gz AZWOSOCDSMYGJK-JQWIXIFHSA-N 1 1 260.334 -0.914 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCCN2CCOCC2)C1 ZINC000344711576 353305718 /nfs/dbraw/zinc/30/57/18/353305718.db2.gz LOPCVPUXJMFQBE-QWHCGFSZSA-N 1 1 258.362 -0.210 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CCCN2CCOCC2)C1 ZINC000344711575 353306106 /nfs/dbraw/zinc/30/61/06/353306106.db2.gz LOPCVPUXJMFQBE-OLZOCXBDSA-N 1 1 258.362 -0.210 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846105 353306223 /nfs/dbraw/zinc/30/62/23/353306223.db2.gz GTGNKJMAVZVDQV-WDEREUQCSA-N 1 1 277.386 -0.107 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000344846105 353306224 /nfs/dbraw/zinc/30/62/24/353306224.db2.gz GTGNKJMAVZVDQV-WDEREUQCSA-N 1 1 277.386 -0.107 10 0 CBAEMO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000383892199 353785867 /nfs/dbraw/zinc/78/58/67/353785867.db2.gz JZTNUVNHTJTCOW-CHWSQXEVSA-N 1 1 288.388 -0.190 10 0 CBAEMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000398942315 353797231 /nfs/dbraw/zinc/79/72/31/353797231.db2.gz KILWALRLNREGSZ-QWRGUYRKSA-N 1 1 269.345 -0.651 10 0 CBAEMO C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000400184915 353800343 /nfs/dbraw/zinc/80/03/43/353800343.db2.gz TYRDIJISSSSJDQ-HBNTYKKESA-N 1 1 261.391 -0.392 10 0 CBAEMO C[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000401852331 353803983 /nfs/dbraw/zinc/80/39/83/353803983.db2.gz VIZYITFZZJNUKU-RYUDHWBXSA-N 1 1 255.362 -0.537 10 0 CBAEMO Cn1cc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cn1 ZINC000404192150 353805591 /nfs/dbraw/zinc/80/55/91/353805591.db2.gz LPVNCHJJPJSLOE-WDEREUQCSA-N 1 1 286.357 -0.829 10 0 CBAEMO O=S(=O)(c1cccnc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404212378 353806414 /nfs/dbraw/zinc/80/64/14/353806414.db2.gz WNQQXEWNGRGTMG-VXGBXAGGSA-N 1 1 283.353 -0.167 10 0 CBAEMO CCOCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404204308 353806468 /nfs/dbraw/zinc/80/64/68/353806468.db2.gz ROIDTZOFVWAYOF-QWRGUYRKSA-N 1 1 278.374 -0.585 10 0 CBAEMO O=S(=O)(C[C@@H]1CCCO1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404218735 353806605 /nfs/dbraw/zinc/80/66/05/353806605.db2.gz ZRLWEGQCLXUYHQ-TUAOUCFPSA-N 1 1 290.385 -0.442 10 0 CBAEMO COC(=O)c1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000386441890 353788243 /nfs/dbraw/zinc/78/82/43/353788243.db2.gz CNDFQJKNWPYMSI-SECBINFHSA-N 1 1 256.306 -0.234 10 0 CBAEMO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000444765165 354278777 /nfs/dbraw/zinc/27/87/77/354278777.db2.gz YKYVANRVVGFJTL-DTWKUNHWSA-N 1 1 254.327 -0.670 10 0 CBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000444765165 354278778 /nfs/dbraw/zinc/27/87/78/354278778.db2.gz YKYVANRVVGFJTL-DTWKUNHWSA-N 1 1 254.327 -0.670 10 0 CBAEMO C[NH+](C)CCCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000170240697 188670646 /nfs/dbraw/zinc/67/06/46/188670646.db2.gz MUZBMYODFKTAAV-VIFPVBQESA-N 1 1 251.334 -0.023 10 0 CBAEMO C[NH+](C)CCCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000170240697 188670647 /nfs/dbraw/zinc/67/06/47/188670647.db2.gz MUZBMYODFKTAAV-VIFPVBQESA-N 1 1 251.334 -0.023 10 0 CBAEMO C[NH+](C)C[C@H](O)CNC[C@H](O)COCc1ccco1 ZINC000572763000 354896975 /nfs/dbraw/zinc/89/69/75/354896975.db2.gz MZSCZIULIDYMAY-NEPJUHHUSA-N 1 1 272.345 -0.331 10 0 CBAEMO CCOC(=O)COCC[N@@H+](C)C[C@H]1CN(C)CCO1 ZINC000589252978 355066467 /nfs/dbraw/zinc/06/64/67/355066467.db2.gz IBKBFXOSQVXIKI-LBPRGKRZSA-N 1 1 274.361 -0.172 10 0 CBAEMO COC(=O)C1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000592530391 355159962 /nfs/dbraw/zinc/15/99/62/355159962.db2.gz VOOVLTCCDDWUKJ-VQXHTEKXSA-N 1 1 270.329 -0.177 10 0 CBAEMO CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000599289308 355476974 /nfs/dbraw/zinc/47/69/74/355476974.db2.gz COCBACBTQJXPQA-NEPJUHHUSA-N 1 1 274.361 -0.437 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000616654269 356107037 /nfs/dbraw/zinc/10/70/37/356107037.db2.gz PITSGSRJBOXPNM-SNVBAGLBSA-N 1 1 259.306 -0.025 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616771493 356112760 /nfs/dbraw/zinc/11/27/60/356112760.db2.gz WKBWSGCIIOLTPG-WYUUTHIRSA-N 1 1 264.329 -0.232 10 0 CBAEMO Nc1ccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)cc1 ZINC000616601774 356102352 /nfs/dbraw/zinc/10/23/52/356102352.db2.gz PDUCXBSEJLRMJE-JTQLQIEISA-N 1 1 256.331 -0.581 10 0 CBAEMO C[C@@H](CN1CCO[C@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000119020895 295930891 /nfs/dbraw/zinc/93/08/91/295930891.db2.gz XLKTUOPKEIDHPG-NWDGAFQWSA-N 1 1 278.418 -0.071 10 0 CBAEMO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000628756296 356720994 /nfs/dbraw/zinc/72/09/94/356720994.db2.gz RJNFAVAOPWJEAA-MNOVXSKESA-N 1 1 253.346 -0.029 10 0 CBAEMO C[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH3+] ZINC000631841413 356910317 /nfs/dbraw/zinc/91/03/17/356910317.db2.gz KHWLOWQGFXMBSX-VHSXEESVSA-N 1 1 268.361 -0.157 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770227 357135208 /nfs/dbraw/zinc/13/52/08/357135208.db2.gz DWAZKHQXXLWNBC-GUTXKFCHSA-N 1 1 280.416 -0.262 10 0 CBAEMO CC(C)n1nnnc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639870892 357615946 /nfs/dbraw/zinc/61/59/46/357615946.db2.gz KIROTTJGEPIJOZ-SNVBAGLBSA-N 1 1 254.338 -0.638 10 0 CBAEMO CC(C)n1nnnc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639870892 357615947 /nfs/dbraw/zinc/61/59/47/357615947.db2.gz KIROTTJGEPIJOZ-SNVBAGLBSA-N 1 1 254.338 -0.638 10 0 CBAEMO CCC[N@H+](Cc1cc[nH]n1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643585914 357790308 /nfs/dbraw/zinc/79/03/08/357790308.db2.gz BUSVOQDBEKQCJA-RTXFEEFZSA-N 1 1 269.345 -0.010 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246537535 283356662 /nfs/dbraw/zinc/35/66/62/283356662.db2.gz SNTZWTBXCHZSIY-GHMZBOCLSA-N 1 1 284.360 -0.906 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262133237 291210431 /nfs/dbraw/zinc/21/04/31/291210431.db2.gz GRCJEPPOQZKVEU-FOGDFJRCSA-N 1 1 253.346 -0.284 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc(N)nc(N)n1 ZINC000177696120 189064013 /nfs/dbraw/zinc/06/40/13/189064013.db2.gz FACIZPIZWCNIGA-SECBINFHSA-N 1 1 265.365 -0.048 10 0 CBAEMO c1nc2c(ncnc2NC[C@@H]2CN3CCN2CC3)[nH]1 ZINC000301752576 201175435 /nfs/dbraw/zinc/17/54/35/201175435.db2.gz BNWRLLWAAJEDJM-SECBINFHSA-N 1 1 259.317 -0.235 10 0 CBAEMO c1nc2ncnc(NC[C@@H]3C[NH+]4CCN3CC4)c2[nH]1 ZINC000301752576 201175439 /nfs/dbraw/zinc/17/54/39/201175439.db2.gz BNWRLLWAAJEDJM-SECBINFHSA-N 1 1 259.317 -0.235 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000093174130 372776917 /nfs/dbraw/zinc/77/69/17/372776917.db2.gz OALAIRAIKTXSFR-UONOGXRCSA-N 1 1 280.416 -0.071 10 0 CBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000189299924 372851712 /nfs/dbraw/zinc/85/17/12/372851712.db2.gz IRHCDOGKPRQBSK-LLVKDONJSA-N 1 1 269.345 -0.554 10 0 CBAEMO CC[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@H](C)O ZINC000252321427 372896862 /nfs/dbraw/zinc/89/68/62/372896862.db2.gz AODWDPLDJWUDIB-RYUDHWBXSA-N 1 1 298.387 -0.685 10 0 CBAEMO CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000262793945 372910567 /nfs/dbraw/zinc/91/05/67/372910567.db2.gz OVODMISHNJLJGT-SRVKXCTJSA-N 1 1 273.377 -0.736 10 0 CBAEMO Cc1[nH+]ccn1-c1cncc(N2C[C@@H](O)[C@@H](O)C2)n1 ZINC000333434853 205318304 /nfs/dbraw/zinc/31/83/04/205318304.db2.gz KRYHTESLSOOMNS-AOOOYVTPSA-N 1 1 261.285 -0.487 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344897320 217350262 /nfs/dbraw/zinc/35/02/62/217350262.db2.gz PNMDXXVLAZSDRF-AEJSXWLSSA-N 1 1 273.333 -0.698 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344897320 217350264 /nfs/dbraw/zinc/35/02/64/217350264.db2.gz PNMDXXVLAZSDRF-AEJSXWLSSA-N 1 1 273.333 -0.698 10 0 CBAEMO O=C([C@H]1CNC(=O)C1)N1CC[NH+](CCCF)CC1 ZINC000402848678 373593184 /nfs/dbraw/zinc/59/31/84/373593184.db2.gz NBHYATSLIPUZJV-SNVBAGLBSA-N 1 1 257.309 -0.374 10 0 CBAEMO C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367489394 373537572 /nfs/dbraw/zinc/53/75/72/373537572.db2.gz LVHLERCVAANDOW-WCQYABFASA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@@H+]1CCC[C@H]1CCN1CCC[C@](O)(C(N)=O)C1 ZINC000367489394 373537580 /nfs/dbraw/zinc/53/75/80/373537580.db2.gz LVHLERCVAANDOW-WCQYABFASA-N 1 1 255.362 -0.217 10 0 CBAEMO C[N@H+]1CCC[C@H]1CCN1CCC[C@](O)(C(N)=O)C1 ZINC000367489394 373537586 /nfs/dbraw/zinc/53/75/86/373537586.db2.gz LVHLERCVAANDOW-WCQYABFASA-N 1 1 255.362 -0.217 10 0 CBAEMO CCN(C)C(=O)CC[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617884 374363662 /nfs/dbraw/zinc/36/36/62/374363662.db2.gz DKFGKOQLQZMQRV-ZDUSSCGKSA-N 1 1 281.360 -0.044 10 0 CBAEMO CCN(C)C(=O)CC[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617884 374363672 /nfs/dbraw/zinc/36/36/72/374363672.db2.gz DKFGKOQLQZMQRV-ZDUSSCGKSA-N 1 1 281.360 -0.044 10 0 CBAEMO CCN(C)C(=O)CC[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617884 374363677 /nfs/dbraw/zinc/36/36/77/374363677.db2.gz DKFGKOQLQZMQRV-ZDUSSCGKSA-N 1 1 281.360 -0.044 10 0 CBAEMO COCCN1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643774693 374412135 /nfs/dbraw/zinc/41/21/35/374412135.db2.gz LCJCLRFIQLQQSR-ZDUSSCGKSA-N 1 1 285.388 -0.597 10 0 CBAEMO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1O ZINC000647038580 374868173 /nfs/dbraw/zinc/86/81/73/374868173.db2.gz LURSNNMGIUQIMM-HQJQHLMTSA-N 1 1 254.261 -0.159 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1[nH]nc2c1CCCC2 ZINC000647041558 374872080 /nfs/dbraw/zinc/87/20/80/374872080.db2.gz POUXKKIJOFTRIS-GZMMTYOYSA-N 1 1 264.329 -0.401 10 0 CBAEMO CC[C@H]1CN(CCC(=O)NC(N)=O)CC[N@H+]1CCOC ZINC000105903095 207368259 /nfs/dbraw/zinc/36/82/59/207368259.db2.gz ATNZSTNQSLEJAB-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@H]1C[N@H+](CCC(=O)NC(N)=O)CCN1CCOC ZINC000105903095 207368265 /nfs/dbraw/zinc/36/82/65/207368265.db2.gz ATNZSTNQSLEJAB-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@H]1C[N@@H+](CCC(=O)NC(N)=O)CCN1CCOC ZINC000105903095 207368271 /nfs/dbraw/zinc/36/82/71/207368271.db2.gz ATNZSTNQSLEJAB-NSHDSACASA-N 1 1 286.376 -0.386 10 0 CBAEMO Cc1cnn(C[C@@H]2C[N@H+](CCOCCO)CCO2)c1 ZINC000132980359 207374027 /nfs/dbraw/zinc/37/40/27/207374027.db2.gz KZAGQWYJIPOLPE-ZDUSSCGKSA-N 1 1 269.345 -0.099 10 0 CBAEMO Cc1cnn(C[C@@H]2C[N@@H+](CCOCCO)CCO2)c1 ZINC000132980359 207374032 /nfs/dbraw/zinc/37/40/32/207374032.db2.gz KZAGQWYJIPOLPE-ZDUSSCGKSA-N 1 1 269.345 -0.099 10 0 CBAEMO O=C1NC(=O)N2CC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000328682565 296355270 /nfs/dbraw/zinc/35/52/70/296355270.db2.gz VRYMKCXHEWYFQJ-UWVGGRQHSA-N 1 1 278.312 -0.174 10 0 CBAEMO O=C1NC(=O)N2CC[N@H+]([C@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000328682565 296355271 /nfs/dbraw/zinc/35/52/71/296355271.db2.gz VRYMKCXHEWYFQJ-UWVGGRQHSA-N 1 1 278.312 -0.174 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)NC(N)=O ZINC000247108560 297100493 /nfs/dbraw/zinc/10/04/93/297100493.db2.gz IQBYASRSUWUBMG-ZJUUUORDSA-N 1 1 254.334 -0.260 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)NC(N)=O)C[C@H]1C ZINC000247232925 286088674 /nfs/dbraw/zinc/08/86/74/286088674.db2.gz RKUKOCFYTHLZIB-SNVBAGLBSA-N 1 1 272.349 -0.776 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(N)=O)C[C@H]1C ZINC000247232925 286088675 /nfs/dbraw/zinc/08/86/75/286088675.db2.gz RKUKOCFYTHLZIB-SNVBAGLBSA-N 1 1 272.349 -0.776 10 0 CBAEMO CC[C@@H]1CN(S(C)(=O)=O)CC[N@@H+]1CCOC ZINC000117372084 287205841 /nfs/dbraw/zinc/20/58/41/287205841.db2.gz HGTLMXKRVFWZFT-SNVBAGLBSA-N 1 1 250.364 -0.011 10 0 CBAEMO CC[C@@H]1CN(S(C)(=O)=O)CC[N@H+]1CCOC ZINC000117372084 287205842 /nfs/dbraw/zinc/20/58/42/287205842.db2.gz HGTLMXKRVFWZFT-SNVBAGLBSA-N 1 1 250.364 -0.011 10 0 CBAEMO CC(C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@H]12)[C@H](C)O ZINC000005442626 170099421 /nfs/dbraw/zinc/09/94/21/170099421.db2.gz SFVVQRJOGUKCEG-GZCFXPHUSA-N 1 1 299.367 -0.327 10 0 in-vitro CBAEMO CNC(=O)C[NH2+]CC(=O)Nc1ccccc1OC ZINC000007662974 170296596 /nfs/dbraw/zinc/29/65/96/170296596.db2.gz ZZJZBYDJQNYFTE-UHFFFAOYSA-N 1 1 251.286 -0.031 10 0 CBAEMO CCNC(=O)NC(=O)[C@@H](C)NC1CC[NH+](C)CC1 ZINC000037249493 173062040 /nfs/dbraw/zinc/06/20/40/173062040.db2.gz NNECIAJAGDGZMS-SECBINFHSA-N 1 1 256.350 -0.096 10 0 CBAEMO C[N@@H+](CC(N)=O)C[C@H](O)COc1ccccc1N ZINC000037268037 173078409 /nfs/dbraw/zinc/07/84/09/173078409.db2.gz SLQAUGVVEIDVQI-VIFPVBQESA-N 1 1 253.302 -0.574 10 0 CBAEMO C[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1N ZINC000037268037 173078410 /nfs/dbraw/zinc/07/84/10/173078410.db2.gz SLQAUGVVEIDVQI-VIFPVBQESA-N 1 1 253.302 -0.574 10 0 CBAEMO CNC(=O)CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000037271544 173083185 /nfs/dbraw/zinc/08/31/85/173083185.db2.gz MGMAOCHUGQDKFD-GFCCVEGCSA-N 1 1 261.325 -0.095 10 0 CBAEMO COCC[N@H+]1CCCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000037506043 173241616 /nfs/dbraw/zinc/24/16/16/173241616.db2.gz COVSBJUIXPKQJS-UHFFFAOYSA-N 1 1 282.344 -0.567 10 0 CBAEMO C[C@H](Cc1cccs1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000037628226 173578713 /nfs/dbraw/zinc/57/87/13/173578713.db2.gz ZTGOPZRGSOGAEG-VXNVDRBHSA-N 1 1 255.343 -0.002 10 0 CBAEMO CN(CC[NH+]1CCCC1)CC(=O)N1CCNCC1 ZINC000038031513 174025734 /nfs/dbraw/zinc/02/57/34/174025734.db2.gz JDZPZXRPUXKFLG-UHFFFAOYSA-N 1 1 254.378 -0.554 10 0 CBAEMO COC(=O)[C@H](C)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031365 174025825 /nfs/dbraw/zinc/02/58/25/174025825.db2.gz ZMUFSJZQOMJJBT-SNVBAGLBSA-N 1 1 257.334 -0.841 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccc(O)cc1 ZINC000040737093 174389761 /nfs/dbraw/zinc/38/97/61/174389761.db2.gz GGWPMOKPUNUXIR-JTQLQIEISA-N 1 1 251.286 -0.746 10 0 CBAEMO C([C@@H]1CNCCO1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000070941770 176015161 /nfs/dbraw/zinc/01/51/61/176015161.db2.gz UKHSGAHMSXUQNL-STQMWFEESA-N 1 1 255.362 -0.619 10 0 CBAEMO C([C@@H]1C[NH2+]CCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000070941770 176015162 /nfs/dbraw/zinc/01/51/62/176015162.db2.gz UKHSGAHMSXUQNL-STQMWFEESA-N 1 1 255.362 -0.619 10 0 CBAEMO COCCNC(=O)[C@@H](C)[N@@H+](CCOC)CCC(N)=S ZINC000071226049 176089602 /nfs/dbraw/zinc/08/96/02/176089602.db2.gz CVDDQZWOJDQXMX-SNVBAGLBSA-N 1 1 291.417 -0.238 10 0 CBAEMO CN(C)CCN1CCCN(CCC[NH3+])S1(=O)=O ZINC000076369721 177006578 /nfs/dbraw/zinc/00/65/78/177006578.db2.gz IJVGKQIJPLJSKN-UHFFFAOYSA-N 1 1 264.395 -0.851 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000079572668 544426385 /nfs/dbraw/zinc/42/63/85/544426385.db2.gz KYUNERYNHXLHAJ-LBPRGKRZSA-N 1 1 261.325 -0.184 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CCN(Cc2ccncc2)CC1 ZINC000088370406 544432944 /nfs/dbraw/zinc/43/29/44/544432944.db2.gz BPKFEQBWQHJGJW-AWEZNQCLSA-N 1 1 290.367 -0.286 10 0 CBAEMO Cc1n[nH]cc1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088372154 544433531 /nfs/dbraw/zinc/43/35/31/544433531.db2.gz KQURRXJFBZTDDI-NSHDSACASA-N 1 1 252.318 -0.245 10 0 CBAEMO O=C([C@H]1COCC[NH2+]1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000088370366 544434059 /nfs/dbraw/zinc/43/40/59/544434059.db2.gz MLIRNAIGFHLXNV-CHWSQXEVSA-N 1 1 283.372 -0.702 10 0 CBAEMO CN1CCN(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089454541 544436805 /nfs/dbraw/zinc/43/68/05/544436805.db2.gz WEHYAJROTSVRQE-QWHCGFSZSA-N 1 1 268.405 -0.275 10 0 CBAEMO CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000328637595 544531867 /nfs/dbraw/zinc/53/18/67/544531867.db2.gz WBDXOSMVFKGSKM-VXGBXAGGSA-N 1 1 293.371 -0.445 10 0 CBAEMO CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000328637595 544531876 /nfs/dbraw/zinc/53/18/76/544531876.db2.gz WBDXOSMVFKGSKM-VXGBXAGGSA-N 1 1 293.371 -0.445 10 0 CBAEMO C[C@H]1CN(Cc2nncn2C)C[C@H]1[NH+]1CCOCC1 ZINC000246449804 544511403 /nfs/dbraw/zinc/51/14/03/544511403.db2.gz MQEABJGBZCCFFJ-NWDGAFQWSA-N 1 1 265.361 -0.032 10 0 CBAEMO CN1CCN(Cc2noc(C[NH3+])n2)C(C)(C)C1=O ZINC000261551957 544515645 /nfs/dbraw/zinc/51/56/45/544515645.db2.gz ZCJONPLQIOMFJM-UHFFFAOYSA-N 1 1 253.306 -0.419 10 0 CBAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O ZINC000261555448 544516078 /nfs/dbraw/zinc/51/60/78/544516078.db2.gz UYWOUFJPJRBGQG-YPMHNXCESA-N 1 1 292.383 -0.174 10 0 CBAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1n[nH]c2ccccc21 ZINC000262369831 544522052 /nfs/dbraw/zinc/52/20/52/544522052.db2.gz VZXDJQBUPMSTOI-KWQFWETISA-N 1 1 260.297 -0.127 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCn2ccccc2=O)C1 ZINC000311654718 544530097 /nfs/dbraw/zinc/53/00/97/544530097.db2.gz UYUKIYUWUGZIBX-ZDUSSCGKSA-N 1 1 265.313 -0.840 10 0 CBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660523579 419408298 /nfs/dbraw/zinc/40/82/98/419408298.db2.gz YJXHGLVEQNUPJX-WCBMZHEXSA-N 1 1 264.272 -0.277 10 0 CBAEMO O=C([C@H]1CNC(=O)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000110432733 419486267 /nfs/dbraw/zinc/48/62/67/419486267.db2.gz XHMUNLKXOAPGRM-CHWSQXEVSA-N 1 1 295.383 -0.164 10 0 CBAEMO COc1ccc(N(C)C(=O)[C@H]([NH3+])CC(N)=O)cc1 ZINC000380124898 544574145 /nfs/dbraw/zinc/57/41/45/544574145.db2.gz VLJQOIBZWSJWOM-SNVBAGLBSA-N 1 1 251.286 -0.139 10 0 CBAEMO Cc1cc(CO)cc(N2CCC[C@](O)(C(N)=O)C2)[nH+]1 ZINC000388983737 544576850 /nfs/dbraw/zinc/57/68/50/544576850.db2.gz ZMSPXERQSDKFSZ-CYBMUJFWSA-N 1 1 265.313 -0.301 10 0 CBAEMO COCC[N@@H+](C)CCCNC(=O)[C@H]1CNC(=O)C1 ZINC000194869662 419554763 /nfs/dbraw/zinc/55/47/63/419554763.db2.gz DRVLUMXBMCJEIB-SNVBAGLBSA-N 1 1 257.334 -0.793 10 0 CBAEMO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000394020936 544578949 /nfs/dbraw/zinc/57/89/49/544578949.db2.gz IZRBXPDULHTIKJ-ZIAGYGMSSA-N 1 1 271.405 -0.295 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000178815171 419505218 /nfs/dbraw/zinc/50/52/18/419505218.db2.gz WZAJSIRSSCEILB-GHMZBOCLSA-N 1 1 279.406 -0.382 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000394380939 544581830 /nfs/dbraw/zinc/58/18/30/544581830.db2.gz JUKBRULEBQEIFR-UPJWGTAASA-N 1 1 266.389 -0.380 10 0 CBAEMO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000394380943 544582150 /nfs/dbraw/zinc/58/21/50/544582150.db2.gz JUKBRULEBQEIFR-YNEHKIRRSA-N 1 1 266.389 -0.380 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCC(=O)OC ZINC000246118264 419591124 /nfs/dbraw/zinc/59/11/24/419591124.db2.gz QLICVKIDCBTVEJ-NEPJUHHUSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@@H+](CCN2CCO[C@H](CO)C2)C[C@H](C)O1 ZINC000314561635 419624412 /nfs/dbraw/zinc/62/44/12/419624412.db2.gz KJRJMOBMKGMTGK-XQQFMLRXSA-N 1 1 258.362 -0.211 10 0 CBAEMO C[C@@H]1C[N@H+](CCN2CCO[C@H](CO)C2)C[C@H](C)O1 ZINC000314561635 419624419 /nfs/dbraw/zinc/62/44/19/419624419.db2.gz KJRJMOBMKGMTGK-XQQFMLRXSA-N 1 1 258.362 -0.211 10 0 CBAEMO COc1ccccc1OCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000647905547 419687099 /nfs/dbraw/zinc/68/70/99/419687099.db2.gz HPHUCZUXGKGOBT-SECBINFHSA-N 1 1 281.312 -0.607 10 0 CBAEMO O=C(N[C@@H]1CCNC1=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662838324 419745758 /nfs/dbraw/zinc/74/57/58/419745758.db2.gz GOMDPMNIPJHYSH-NEPJUHHUSA-N 1 1 259.309 -0.294 10 0 CBAEMO O=C(NCCO[C@@H]1CC1(F)F)[C@H]1COCC[NH2+]1 ZINC000662861565 419755344 /nfs/dbraw/zinc/75/53/44/419755344.db2.gz KOBPEGOKTBGLNG-HTQZYQBOSA-N 1 1 250.245 -0.485 10 0 CBAEMO O=C(NCc1n[nH]cc1Br)[C@@H]1COCC[NH2+]1 ZINC000648068826 419720173 /nfs/dbraw/zinc/72/01/73/419720173.db2.gz DRILYRXPAHBFGL-QMMMGPOBSA-N 1 1 289.133 -0.223 10 0 CBAEMO CCn1cc(CN(C)C(=O)[C@@H]2COCC[NH2+]2)cn1 ZINC000649335720 419895681 /nfs/dbraw/zinc/89/56/81/419895681.db2.gz UVPPQCYVGZXRKL-NSHDSACASA-N 1 1 252.318 -0.150 10 0 CBAEMO COC[C@]1(C(=O)NC[C@@H]2CN(C)CCN2C)CCC[NH2+]1 ZINC000649352666 419904527 /nfs/dbraw/zinc/90/45/27/419904527.db2.gz CNYAHPXVRWIXKS-OCCSQVGLSA-N 1 1 284.404 -0.883 10 0 CBAEMO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCC(=O)OC)C1 ZINC000359934535 419995349 /nfs/dbraw/zinc/99/53/49/419995349.db2.gz AWSMJHYOOBGIFK-JTQLQIEISA-N 1 1 278.374 -0.047 10 0 CBAEMO CC(C)(C)n1nnc(CN[C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000653549415 420150743 /nfs/dbraw/zinc/15/07/43/420150743.db2.gz RDUJTCQLLYSGBL-NSHDSACASA-N 1 1 282.392 -0.026 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(CCO)CC1 ZINC000401138874 420222523 /nfs/dbraw/zinc/22/25/23/420222523.db2.gz RYFPAILTKWPTBV-PWSUYJOCSA-N 1 1 256.346 -0.016 10 0 CBAEMO c1nc2c(ncnc2N2CC[C@H]3OCC[NH2+][C@H]3C2)[nH]1 ZINC000404226322 420224908 /nfs/dbraw/zinc/22/49/08/420224908.db2.gz NPDPKXQZPCBYPD-DTWKUNHWSA-N 1 1 260.301 -0.080 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495231 420258487 /nfs/dbraw/zinc/25/84/87/420258487.db2.gz LTXXSKRPZHRGOX-MNOVXSKESA-N 1 1 269.345 -0.251 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000398764902 420218870 /nfs/dbraw/zinc/21/88/70/420218870.db2.gz BNXNVSUAQIYXOH-BFHYXJOUSA-N 1 1 281.400 -0.147 10 0 CBAEMO COCCN1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675055964 544923554 /nfs/dbraw/zinc/92/35/54/544923554.db2.gz FLFWGPIOGUTOIX-UHFFFAOYSA-N 1 1 267.377 -0.357 10 0 CBAEMO CN(C)S(=O)(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000675065791 544925833 /nfs/dbraw/zinc/92/58/33/544925833.db2.gz SHVZDSMVJNZLPS-UHFFFAOYSA-N 1 1 277.390 -0.675 10 0 CBAEMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC2(O)CCC2)C1 ZINC000675123097 544926893 /nfs/dbraw/zinc/92/68/93/544926893.db2.gz JPLDFDGMTOSTEK-SNVBAGLBSA-N 1 1 262.375 -0.085 10 0 CBAEMO COC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000171973411 335087066 /nfs/dbraw/zinc/08/70/66/335087066.db2.gz RWRMFQKUJMENAZ-QWHCGFSZSA-N 1 1 269.345 -0.100 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000171973411 335087068 /nfs/dbraw/zinc/08/70/68/335087068.db2.gz RWRMFQKUJMENAZ-QWHCGFSZSA-N 1 1 269.345 -0.100 10 0 CBAEMO CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CN(C)CCO1 ZINC000685563342 545081976 /nfs/dbraw/zinc/08/19/76/545081976.db2.gz VZXZIZGRZLSGCZ-KBPBESRZSA-N 1 1 271.405 -0.296 10 0 CBAEMO COCC[N@H+](C)C[C@@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251008 545083166 /nfs/dbraw/zinc/08/31/66/545083166.db2.gz CGKUNFAGIPJDGV-SNVBAGLBSA-N 1 1 291.373 -0.774 10 0 CBAEMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251008 545083167 /nfs/dbraw/zinc/08/31/67/545083167.db2.gz CGKUNFAGIPJDGV-SNVBAGLBSA-N 1 1 291.373 -0.774 10 0 CBAEMO C[C@H]1OCCN[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258688 545083480 /nfs/dbraw/zinc/08/34/80/545083480.db2.gz XIFYFOCLGUHDGA-KOLCDFICSA-N 1 1 251.334 -0.184 10 0 CBAEMO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037815178 277045545 /nfs/dbraw/zinc/04/55/45/277045545.db2.gz CWPBBAMKMWLHHZ-ZJUUUORDSA-N 1 1 257.359 -0.224 10 0 CBAEMO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088370857 277045716 /nfs/dbraw/zinc/04/57/16/277045716.db2.gz SGAFKAYBGNLPOS-GHMZBOCLSA-N 1 1 255.318 -0.898 10 0 CBAEMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311233721 277166481 /nfs/dbraw/zinc/16/64/81/277166481.db2.gz XXPZVEXAGPVFKO-GFCCVEGCSA-N 1 1 257.334 -0.787 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(N)=O ZINC000245467900 279328399 /nfs/dbraw/zinc/32/83/99/279328399.db2.gz KHDNCQLXXIQDDF-ZJUUUORDSA-N 1 1 256.350 -0.014 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000262135053 280057712 /nfs/dbraw/zinc/05/77/12/280057712.db2.gz GTNHIZCYVDJJKY-UTUOFQBUSA-N 1 1 253.346 -0.330 10 0 CBAEMO CC[C@@H]1CN(C(=O)CCNC(N)=O)CC[N@H+]1CCOC ZINC000117426131 280348117 /nfs/dbraw/zinc/34/81/17/280348117.db2.gz PVTBYRRJOIWYQM-LLVKDONJSA-N 1 1 286.376 -0.386 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CCN1CCOC ZINC000262745805 280351054 /nfs/dbraw/zinc/35/10/54/280351054.db2.gz AFXIMPUIUPZUOR-OLZOCXBDSA-N 1 1 287.404 -0.081 10 0 CBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000094463774 288300186 /nfs/dbraw/zinc/30/01/86/288300186.db2.gz KRIQHZLXVQJUOV-VXGBXAGGSA-N 1 1 280.372 -0.887 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC1 ZINC000094463774 288300189 /nfs/dbraw/zinc/30/01/89/288300189.db2.gz KRIQHZLXVQJUOV-VXGBXAGGSA-N 1 1 280.372 -0.887 10 0 CBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCC(=O)OC ZINC000246118268 288317336 /nfs/dbraw/zinc/31/73/36/288317336.db2.gz QLICVKIDCBTVEJ-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO CN1CC[C@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1=O ZINC000329172064 290199346 /nfs/dbraw/zinc/19/93/46/290199346.db2.gz KVAVLWYQZBKOGP-LPEHRKFASA-N 1 1 258.343 -0.664 10 0 CBAEMO CN1CC[C@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1=O ZINC000329172064 290199350 /nfs/dbraw/zinc/19/93/50/290199350.db2.gz KVAVLWYQZBKOGP-LPEHRKFASA-N 1 1 258.343 -0.664 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCS(N)(=O)=O ZINC000172080763 300315308 /nfs/dbraw/zinc/31/53/08/300315308.db2.gz UMBTXMPURSWOEV-WDEREUQCSA-N 1 1 261.391 -0.167 10 0 CBAEMO [NH3+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000040173593 303490086 /nfs/dbraw/zinc/49/00/86/303490086.db2.gz GPIXMPNQLBUKMR-UWVGGRQHSA-N 1 1 275.351 -0.415 10 0 CBAEMO COc1cc(F)ccc1NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000049569938 522607636 /nfs/dbraw/zinc/60/76/36/522607636.db2.gz AAMRNTNLIANFBK-ZETCQYMHSA-N 1 1 255.249 -0.025 10 0 CBAEMO CN(CCC(N)=S)C(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000061710469 522700668 /nfs/dbraw/zinc/70/06/68/522700668.db2.gz VWIWQGGQXUYOSG-VIFPVBQESA-N 1 1 259.375 -0.422 10 0 CBAEMO C[NH+](C)C1CCN([C@@H]2CS(=O)(=O)C[C@@H]2N)CC1 ZINC000054493035 524040853 /nfs/dbraw/zinc/04/08/53/524040853.db2.gz ASQPDFBOLXZGHA-WDEREUQCSA-N 1 1 261.391 -0.863 10 0 CBAEMO CNC(=O)NC(=O)[C@H](C)N[C@H](C)C[NH+]1CCCC1 ZINC000049164958 524078163 /nfs/dbraw/zinc/07/81/63/524078163.db2.gz HJTPNILFMVBZEE-ZJUUUORDSA-N 1 1 256.350 -0.096 10 0 CBAEMO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000049559719 524160978 /nfs/dbraw/zinc/16/09/78/524160978.db2.gz KLGMUBJBTREQNA-NXEZZACHSA-N 1 1 279.406 -0.795 10 0 CBAEMO C[C@H](C[NH+]1CCCC1)NCC(=O)N1CCOCC1 ZINC000049180404 524315464 /nfs/dbraw/zinc/31/54/64/524315464.db2.gz GLMCKWOYPYZXDF-GFCCVEGCSA-N 1 1 255.362 -0.081 10 0 CBAEMO CC(C)(C)OC(=O)NCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184002676 534887019 /nfs/dbraw/zinc/88/70/19/534887019.db2.gz RLILFDOUVOLFIN-ZJUUUORDSA-N 1 1 260.334 -0.061 10 0 CBAEMO O=C(C[N@@H+]1CCC[C@H](CO)C1)NC1CCOCC1 ZINC000062769372 526755393 /nfs/dbraw/zinc/75/53/93/526755393.db2.gz FDZICVNCDDHSDA-NSHDSACASA-N 1 1 256.346 -0.014 10 0 CBAEMO Nc1nc(CC(=O)N2CC[NH+](CCO)CC2)cs1 ZINC000055271384 527548810 /nfs/dbraw/zinc/54/88/10/527548810.db2.gz VZRFWNNMCPEBNB-UHFFFAOYSA-N 1 1 270.358 -0.596 10 0 CBAEMO Nc1ncn(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]23)n1 ZINC000049562909 527573403 /nfs/dbraw/zinc/57/34/03/527573403.db2.gz QDVGTUWSLIYECD-RKDXNWHRSA-N 1 1 250.306 -0.787 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171704015 528162331 /nfs/dbraw/zinc/16/23/31/528162331.db2.gz AEMCIXNCLLLRJK-JTQLQIEISA-N 1 1 280.332 -0.239 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171704015 528162337 /nfs/dbraw/zinc/16/23/37/528162337.db2.gz AEMCIXNCLLLRJK-JTQLQIEISA-N 1 1 280.332 -0.239 10 0 CBAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CC[C@@H](O)[C@@H]12)[C@H](C)O ZINC000004082010 560193341 /nfs/dbraw/zinc/19/33/41/560193341.db2.gz SFVVQRJOGUKCEG-ZGFBFQLVSA-N 1 1 299.367 -0.327 10 0 biogenic,in-vitro CBAEMO CC(C)[C@](O)(C(=O)O[C@@H]1CC[N@H+]2CC=C(CO)[C@H]12)[C@@H](C)O ZINC000004098668 560195988 /nfs/dbraw/zinc/19/59/88/560195988.db2.gz OMMHYUSJYAJBDU-BPGGGUHBSA-N 1 1 299.367 -0.327 10 0 in-vitro CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCOC1CCCCC1 ZINC000111641044 582115262 /nfs/dbraw/zinc/11/52/62/582115262.db2.gz MGWCQVCSZWSYGG-JTQLQIEISA-N 1 1 257.334 -0.345 10 0 CBAEMO CC[C@H]1CN(Cn2ncn(C)c2=O)CC[N@H+]1CCOC ZINC000132818969 582124250 /nfs/dbraw/zinc/12/42/50/582124250.db2.gz OGYKAZHPGUMRLS-LBPRGKRZSA-N 1 1 283.376 -0.418 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=S)NCCOC)C1 ZINC000134687584 582124947 /nfs/dbraw/zinc/12/49/47/582124947.db2.gz QDRLBSZLBQDFME-SNVBAGLBSA-N 1 1 261.391 -0.182 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=S)NCCOC)C1 ZINC000134687584 582124948 /nfs/dbraw/zinc/12/49/48/582124948.db2.gz QDRLBSZLBQDFME-SNVBAGLBSA-N 1 1 261.391 -0.182 10 0 CBAEMO [NH3+][C@H](CS(=O)(=O)N1CCOCC1)c1ccccn1 ZINC000757154078 582305140 /nfs/dbraw/zinc/30/51/40/582305140.db2.gz VKCAOUQDBGYJSN-SNVBAGLBSA-N 1 1 271.342 -0.257 10 0 CBAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NCc2nnn(C)n2)C1 ZINC000886082558 584430852 /nfs/dbraw/zinc/43/08/52/584430852.db2.gz OPOGIKPYLURPHP-UTUOFQBUSA-N 1 1 280.376 -0.059 10 0 CBAEMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000895663000 584683868 /nfs/dbraw/zinc/68/38/68/584683868.db2.gz IEESUUJYJOTJEK-CHWSQXEVSA-N 1 1 299.415 -0.332 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000896993021 584707338 /nfs/dbraw/zinc/70/73/38/584707338.db2.gz MQFJTWVWAFBOIM-DTWKUNHWSA-N 1 1 251.290 -0.961 10 0 CBAEMO Cn1[nH]cnc1=NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000896993021 584707339 /nfs/dbraw/zinc/70/73/39/584707339.db2.gz MQFJTWVWAFBOIM-DTWKUNHWSA-N 1 1 251.290 -0.961 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C(C)(C)C ZINC000901071940 584845094 /nfs/dbraw/zinc/84/50/94/584845094.db2.gz KVZGXVZSZWREQP-GIPNMCIBSA-N 1 1 258.362 -0.035 10 0 CBAEMO COc1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc(OC)c1 ZINC000037622939 656002008 /nfs/dbraw/zinc/00/20/08/656002008.db2.gz BEDSYKOBWIPUFT-JTQLQIEISA-N 1 1 267.285 -0.155 10 0 CBAEMO COc1ccc(CCNC(=O)[C@@H]([NH3+])CC(N)=O)cc1OC ZINC000037622787 656002367 /nfs/dbraw/zinc/00/23/67/656002367.db2.gz LPFYZWWPAQUXSH-JTQLQIEISA-N 1 1 295.339 -0.435 10 0 CBAEMO CN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037655167 656003149 /nfs/dbraw/zinc/00/31/49/656003149.db2.gz KMJNQSDWIRBFSG-JTQLQIEISA-N 1 1 253.277 -0.013 10 0 CBAEMO Cc1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1-n1cnnn1 ZINC000037626745 656003296 /nfs/dbraw/zinc/00/32/96/656003296.db2.gz ILWLEWMJHPAVTI-SECBINFHSA-N 1 1 289.299 -0.888 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040810314 656005543 /nfs/dbraw/zinc/00/55/43/656005543.db2.gz ZKLPEQRLVWUZOM-RKDXNWHRSA-N 1 1 279.296 -0.855 10 0 CBAEMO CCN1CCC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000040862323 656006382 /nfs/dbraw/zinc/00/63/82/656006382.db2.gz FXWSNAWDMLMARS-LLVKDONJSA-N 1 1 276.406 -0.790 10 0 CBAEMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccco1 ZINC000089312192 656053697 /nfs/dbraw/zinc/05/36/97/656053697.db2.gz BQBAFYREROTIMB-DTWKUNHWSA-N 1 1 266.301 -0.320 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C ZINC000094996718 656061635 /nfs/dbraw/zinc/06/16/35/656061635.db2.gz XOKYYWWQRACLQN-SFYZADRCSA-N 1 1 257.290 -0.688 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CN1C(=O)C(=O)N(C)C1=O ZINC000177160627 656087956 /nfs/dbraw/zinc/08/79/56/656087956.db2.gz PPLFKOCWQUOUTP-JTQLQIEISA-N 1 1 282.344 -0.219 10 0 CBAEMO CO[C@@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000189146782 656097881 /nfs/dbraw/zinc/09/78/81/656097881.db2.gz ISKYEEVGVPLJQU-VXGBXAGGSA-N 1 1 253.346 -0.029 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000227752287 656108902 /nfs/dbraw/zinc/10/89/02/656108902.db2.gz NIZSVYASQRQZES-DTWKUNHWSA-N 1 1 269.301 -0.721 10 0 CBAEMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1C ZINC000227750427 656108915 /nfs/dbraw/zinc/10/89/15/656108915.db2.gz LYJOVXDEYNNBQU-BIIVOSGPSA-N 1 1 257.290 -0.689 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000227750003 656108975 /nfs/dbraw/zinc/10/89/75/656108975.db2.gz NTYHYFXDJCGJLU-SDDRHHMPSA-N 1 1 284.356 -0.025 10 0 CBAEMO C[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)C[C@@H](C(N)=O)O1 ZINC000246478941 656119303 /nfs/dbraw/zinc/11/93/03/656119303.db2.gz NBMAPTIPUOTQDP-UTLUCORTSA-N 1 1 256.302 -0.486 10 0 CBAEMO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2=O)C[C@@H](C(N)=O)O1 ZINC000246478941 656119307 /nfs/dbraw/zinc/11/93/07/656119307.db2.gz NBMAPTIPUOTQDP-UTLUCORTSA-N 1 1 256.302 -0.486 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CN1C(=O)C(=O)N(C)C1=O ZINC000246972435 656119427 /nfs/dbraw/zinc/11/94/27/656119427.db2.gz GSZHMHMEBQAATH-UWVGGRQHSA-N 1 1 280.328 -0.467 10 0 CBAEMO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000251464578 656122632 /nfs/dbraw/zinc/12/26/32/656122632.db2.gz VDUXXRLXKXAPOV-NWDGAFQWSA-N 1 1 273.402 -0.152 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000262169826 656129283 /nfs/dbraw/zinc/12/92/83/656129283.db2.gz QHWDCARSWDGMRL-CYBMUJFWSA-N 1 1 282.388 -0.591 10 0 CBAEMO CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262169826 656129288 /nfs/dbraw/zinc/12/92/88/656129288.db2.gz QHWDCARSWDGMRL-CYBMUJFWSA-N 1 1 282.388 -0.591 10 0 CBAEMO C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262313453 656130680 /nfs/dbraw/zinc/13/06/80/656130680.db2.gz QOVNAEHMLINZLW-USZNOCQGSA-N 1 1 255.362 -0.038 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CCN1C[C@@H](C)O ZINC000262429291 656132394 /nfs/dbraw/zinc/13/23/94/656132394.db2.gz STIMFBXWSGSENA-IJLUTSLNSA-N 1 1 257.378 -0.115 10 0 CBAEMO O=C(N[C@H]1CCOC[C@@H]1O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000706768998 656188768 /nfs/dbraw/zinc/18/87/68/656188768.db2.gz KEYZFASHCAQDGK-GVXVVHGQSA-N 1 1 254.330 -0.262 10 0 CBAEMO C[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000709632201 656195742 /nfs/dbraw/zinc/19/57/42/656195742.db2.gz UDPOZFNOWKNVSR-RCOVLWMOSA-N 1 1 267.251 -0.010 10 0 CBAEMO COC[C@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CNCCO1 ZINC000710755201 656200902 /nfs/dbraw/zinc/20/09/02/656200902.db2.gz MNTWVBWTNNOTQK-YPMHNXCESA-N 1 1 271.361 -0.846 10 0 CBAEMO C[N@H+]1CCN(C(=O)[C@@H](N)CC(N)=O)CCC1(C)C ZINC000712677806 656211146 /nfs/dbraw/zinc/21/11/46/656211146.db2.gz JLFLMOIXMLYIMD-VIFPVBQESA-N 1 1 256.350 -0.868 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCc2ccns2)C1 ZINC000719850775 656235988 /nfs/dbraw/zinc/23/59/88/656235988.db2.gz DAOIVLIGLUXXET-NSHDSACASA-N 1 1 255.343 -0.002 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1=O ZINC000900412025 656308467 /nfs/dbraw/zinc/30/84/67/656308467.db2.gz OBRDETNUTMGTPH-RYUDHWBXSA-N 1 1 281.356 -0.460 10 0 CBAEMO CN1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1=O ZINC000900412025 656308469 /nfs/dbraw/zinc/30/84/69/656308469.db2.gz OBRDETNUTMGTPH-RYUDHWBXSA-N 1 1 281.356 -0.460 10 0 CBAEMO COC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000908366404 656712802 /nfs/dbraw/zinc/71/28/02/656712802.db2.gz MXVRZVTZIKUEIS-NXEZZACHSA-N 1 1 258.318 -0.537 10 0 CBAEMO C[C@@H]1CN(C)C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)O1 ZINC000912598769 657290245 /nfs/dbraw/zinc/29/02/45/657290245.db2.gz GCTFLHBVLUOSQH-VXGBXAGGSA-N 1 1 273.377 -0.912 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](O)C[C@@]2(C)CO)O1 ZINC000912653548 657306224 /nfs/dbraw/zinc/30/62/24/657306224.db2.gz JUQXQXYGCQOBQE-UZWSLXQKSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](O)C[C@@]2(C)CO)O1 ZINC000912653548 657306228 /nfs/dbraw/zinc/30/62/28/657306228.db2.gz JUQXQXYGCQOBQE-UZWSLXQKSA-N 1 1 272.345 -0.950 10 0 CBAEMO C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028465 657368897 /nfs/dbraw/zinc/36/88/97/657368897.db2.gz YEHNBXXMOADPAJ-JOYOIKCWSA-N 1 1 294.355 -0.271 10 0 CBAEMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CCc3c(=O)[nH]n(C)c3C2)O1 ZINC000913028465 657368902 /nfs/dbraw/zinc/36/89/02/657368902.db2.gz YEHNBXXMOADPAJ-JOYOIKCWSA-N 1 1 294.355 -0.271 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000125185055 187173713 /nfs/dbraw/zinc/17/37/13/187173713.db2.gz TWRAWQUSRQNOIU-JTQLQIEISA-N 1 1 268.317 -0.861 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000125185055 187173714 /nfs/dbraw/zinc/17/37/14/187173714.db2.gz TWRAWQUSRQNOIU-JTQLQIEISA-N 1 1 268.317 -0.861 10 0 CBAEMO CN(CC(=O)N[C@H]1CC[NH2+]C1)c1ncnc2[nH]cnc21 ZINC000127808005 187335041 /nfs/dbraw/zinc/33/50/41/187335041.db2.gz JUQOSSNVVVTIBV-QMMMGPOBSA-N 1 1 275.316 -0.733 10 0 CBAEMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])C(C)C ZINC000096921291 185131654 /nfs/dbraw/zinc/13/16/54/185131654.db2.gz SOTMNTBAGUGOAS-UWVGGRQHSA-N 1 1 268.317 -0.407 10 0 CBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000376674771 529699595 /nfs/dbraw/zinc/69/95/95/529699595.db2.gz VZCCZQLHLGTJSE-WFASDCNBSA-N 1 1 297.399 -0.182 10 0 CBAEMO COCC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104798012 186023387 /nfs/dbraw/zinc/02/33/87/186023387.db2.gz VHAJGAXNBSTLMS-LBPRGKRZSA-N 1 1 288.392 -0.806 10 0 CBAEMO CN1CCO[C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000105279283 186050415 /nfs/dbraw/zinc/05/04/15/186050415.db2.gz ZWVXNEBIVWGXHB-ZDUSSCGKSA-N 1 1 282.388 -0.193 10 0 CBAEMO NC(=O)C[NH+]1CCC(C(=O)NCCc2ccncc2)CC1 ZINC000091934196 180289141 /nfs/dbraw/zinc/28/91/41/180289141.db2.gz VQLSHOHPZWRHNT-UHFFFAOYSA-N 1 1 290.367 -0.062 10 0 CBAEMO Cc1nnc([C@@H](C)NC(=O)C2CC[NH+](CC(N)=O)CC2)o1 ZINC000091988505 180299432 /nfs/dbraw/zinc/29/94/32/180299432.db2.gz CAJDDFYMAIHNPR-MRVPVSSYSA-N 1 1 295.343 -0.247 10 0 CBAEMO CC[C@@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1C[C@@H](C)O ZINC000105825939 186074846 /nfs/dbraw/zinc/07/48/46/186074846.db2.gz HLXYYJLQFPPKMH-NXEZZACHSA-N 1 1 295.391 -0.687 10 0 CBAEMO CCOCC[N@@H+]1CCN(CC(=O)NC(N)=O)C[C@@H]1C ZINC000105834561 186075611 /nfs/dbraw/zinc/07/56/11/186075611.db2.gz RKUKOCFYTHLZIB-JTQLQIEISA-N 1 1 272.349 -0.776 10 0 CBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(N)=O)C[C@@H]1C ZINC000105834561 186075613 /nfs/dbraw/zinc/07/56/13/186075613.db2.gz RKUKOCFYTHLZIB-JTQLQIEISA-N 1 1 272.349 -0.776 10 0 CBAEMO CC[C@H]1CN(Cc2nc(N)nc(N)n2)CC[N@H+]1CCOC ZINC000105836332 186076521 /nfs/dbraw/zinc/07/65/21/186076521.db2.gz XEZWQUJAKHIVKP-JTQLQIEISA-N 1 1 295.391 -0.421 10 0 CBAEMO COCC[N@H+](C[C@H](O)COC(C)(C)C)[C@H](C)C(N)=O ZINC000106313442 186107683 /nfs/dbraw/zinc/10/76/83/186107683.db2.gz KQXGTNZKCATBRQ-MNOVXSKESA-N 1 1 276.377 -0.015 10 0 CBAEMO COCC[N@@H+](C[C@H](O)COC(C)(C)C)[C@H](C)C(N)=O ZINC000106313442 186107685 /nfs/dbraw/zinc/10/76/85/186107685.db2.gz KQXGTNZKCATBRQ-MNOVXSKESA-N 1 1 276.377 -0.015 10 0 CBAEMO CN1CCN(CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037760025 351403009 /nfs/dbraw/zinc/40/30/09/351403009.db2.gz UBNJLOHBCMFXMR-LBPRGKRZSA-N 1 1 254.378 -0.650 10 0 CBAEMO Nc1ncn(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000040326594 351413915 /nfs/dbraw/zinc/41/39/15/351413915.db2.gz QDBASPCORIUVMH-SNVBAGLBSA-N 1 1 264.333 -0.443 10 0 CBAEMO C[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000054076100 351531877 /nfs/dbraw/zinc/53/18/77/351531877.db2.gz XWJLMWCVAGBLKT-OLZOCXBDSA-N 1 1 270.421 -0.018 10 0 CBAEMO C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1CO ZINC000067561525 351607794 /nfs/dbraw/zinc/60/77/94/351607794.db2.gz DQTHEHNITICCKK-ZJUUUORDSA-N 1 1 290.323 -0.349 10 0 CBAEMO CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@H](C)O)no2)CC1 ZINC000067713114 351610855 /nfs/dbraw/zinc/61/08/55/351610855.db2.gz NUKAUDAZOLNIEZ-LLVKDONJSA-N 1 1 296.371 -0.077 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1c[nH]cn1 ZINC000070417977 351640231 /nfs/dbraw/zinc/64/02/31/351640231.db2.gz YHVIJLURTASYTI-VIFPVBQESA-N 1 1 258.347 -0.018 10 0 CBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnc(N)n1 ZINC000071187678 351643169 /nfs/dbraw/zinc/64/31/69/351643169.db2.gz UHISHZKDIZZAOU-VIFPVBQESA-N 1 1 252.322 -0.730 10 0 CBAEMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000068829102 351623259 /nfs/dbraw/zinc/62/32/59/351623259.db2.gz RRHSNSLKTMZCEN-NSHDSACASA-N 1 1 287.389 -0.146 10 0 CBAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000068829102 351623260 /nfs/dbraw/zinc/62/32/60/351623260.db2.gz RRHSNSLKTMZCEN-NSHDSACASA-N 1 1 287.389 -0.146 10 0 CBAEMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088357823 351724540 /nfs/dbraw/zinc/72/45/40/351724540.db2.gz ITZSHNYZUFRHLX-MNOVXSKESA-N 1 1 270.329 -0.224 10 0 CBAEMO CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)CN1CCCC1=O ZINC000111684801 351805228 /nfs/dbraw/zinc/80/52/28/351805228.db2.gz NBDLMELAPAHYBD-GFCCVEGCSA-N 1 1 285.388 -0.230 10 0 CBAEMO Cc1ccnc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)n1 ZINC000095069640 351767348 /nfs/dbraw/zinc/76/73/48/351767348.db2.gz BAAVDWRZTUMIEN-SECBINFHSA-N 1 1 256.331 -0.233 10 0 CBAEMO Cn1cc([C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC000116317606 351821329 /nfs/dbraw/zinc/82/13/29/351821329.db2.gz IKDZTMCDZKLCJN-SNVBAGLBSA-N 1 1 277.328 -0.239 10 0 CBAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC000117279412 351825374 /nfs/dbraw/zinc/82/53/74/351825374.db2.gz BPOOWBXSYLLCMA-NEPJUHHUSA-N 1 1 283.372 -0.166 10 0 CBAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC000117279412 351825377 /nfs/dbraw/zinc/82/53/77/351825377.db2.gz BPOOWBXSYLLCMA-NEPJUHHUSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCNC1=O ZINC000113271183 351812688 /nfs/dbraw/zinc/81/26/88/351812688.db2.gz GPTLVDWBDMMCTP-GHMZBOCLSA-N 1 1 266.345 -0.293 10 0 CBAEMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000113271815 351813037 /nfs/dbraw/zinc/81/30/37/351813037.db2.gz HGXGLUGJUUAYRN-JTQLQIEISA-N 1 1 269.345 -0.962 10 0 CBAEMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000113499458 351813802 /nfs/dbraw/zinc/81/38/02/351813802.db2.gz VURGXGPLAKQQJZ-QWRGUYRKSA-N 1 1 269.345 -0.691 10 0 CBAEMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000113499458 351813804 /nfs/dbraw/zinc/81/38/04/351813804.db2.gz VURGXGPLAKQQJZ-QWRGUYRKSA-N 1 1 269.345 -0.691 10 0 CBAEMO C[C@H](CNC(=O)[C@H]1CNC(=O)C1)C[NH+]1CCOCC1 ZINC000150717859 351931295 /nfs/dbraw/zinc/93/12/95/351931295.db2.gz NZFGBARQYKAZAT-GHMZBOCLSA-N 1 1 269.345 -0.793 10 0 CBAEMO O=C1CNC(=O)N1CCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000171638524 352014669 /nfs/dbraw/zinc/01/46/69/352014669.db2.gz NDDCHWQEVIKKCG-NSHDSACASA-N 1 1 266.345 -0.292 10 0 CBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CSCN2)CC[N@H+]1C[C@@H](C)O ZINC000168014156 351992110 /nfs/dbraw/zinc/99/21/10/351992110.db2.gz QCZJSUJNICKFRI-UTUOFQBUSA-N 1 1 287.429 -0.048 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173935515 352042873 /nfs/dbraw/zinc/04/28/73/352042873.db2.gz VJIFSAPLTITQOU-LLVKDONJSA-N 1 1 284.360 -0.761 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173935515 352042877 /nfs/dbraw/zinc/04/28/77/352042877.db2.gz VJIFSAPLTITQOU-LLVKDONJSA-N 1 1 284.360 -0.761 10 0 CBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)n(C)n1 ZINC000177686156 352074536 /nfs/dbraw/zinc/07/45/36/352074536.db2.gz SVURDPUGFNGAGK-NSHDSACASA-N 1 1 291.355 -0.026 10 0 CBAEMO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)NC1CC1 ZINC000173935191 352043444 /nfs/dbraw/zinc/04/34/44/352043444.db2.gz RSFJQRQWTBICFX-GFCCVEGCSA-N 1 1 253.346 -0.329 10 0 CBAEMO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)NC1CC1 ZINC000173935191 352043446 /nfs/dbraw/zinc/04/34/46/352043446.db2.gz RSFJQRQWTBICFX-GFCCVEGCSA-N 1 1 253.346 -0.329 10 0 CBAEMO CCNC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000175589643 352058023 /nfs/dbraw/zinc/05/80/23/352058023.db2.gz ZRRWVLPVVMKEQT-NWDGAFQWSA-N 1 1 255.362 -0.225 10 0 CBAEMO C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000176853779 352069092 /nfs/dbraw/zinc/06/90/92/352069092.db2.gz UYQYNQROKZQJPY-GHMZBOCLSA-N 1 1 292.401 -0.544 10 0 CBAEMO COCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177297268 352072471 /nfs/dbraw/zinc/07/24/71/352072471.db2.gz OXYZQPKOBSUNEY-NWDGAFQWSA-N 1 1 271.361 -0.005 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177242779 352072527 /nfs/dbraw/zinc/07/25/27/352072527.db2.gz CKHGXHQOTXKXDQ-NWDGAFQWSA-N 1 1 298.387 -0.515 10 0 CBAEMO NC(=O)CSCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171880607 352017895 /nfs/dbraw/zinc/01/78/95/352017895.db2.gz YCPFGDGDQUHCAZ-VIFPVBQESA-N 1 1 257.359 -0.489 10 0 CBAEMO COC[C@@H](O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171973406 352018913 /nfs/dbraw/zinc/01/89/13/352018913.db2.gz HKUMDBOFOPMCHV-RYUDHWBXSA-N 1 1 255.318 -0.409 10 0 CBAEMO COC[C@@H](O)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171973406 352018918 /nfs/dbraw/zinc/01/89/18/352018918.db2.gz HKUMDBOFOPMCHV-RYUDHWBXSA-N 1 1 255.318 -0.409 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171980376 352019472 /nfs/dbraw/zinc/01/94/72/352019472.db2.gz LTQRMXGZNJXZOQ-GFCCVEGCSA-N 1 1 291.417 -0.021 10 0 CBAEMO COCCN(C)S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171980376 352019475 /nfs/dbraw/zinc/01/94/75/352019475.db2.gz LTQRMXGZNJXZOQ-GFCCVEGCSA-N 1 1 291.417 -0.021 10 0 CBAEMO OC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000186502125 352127608 /nfs/dbraw/zinc/12/76/08/352127608.db2.gz IGSLXFCWNFJQNK-SOUVJXGZSA-N 1 1 281.352 -0.008 10 0 CBAEMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000179121832 352087611 /nfs/dbraw/zinc/08/76/11/352087611.db2.gz IXDHHGQSUMWPAM-RYUDHWBXSA-N 1 1 284.356 -0.003 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000180481759 352094557 /nfs/dbraw/zinc/09/45/57/352094557.db2.gz WJDCXHDDKVQTJZ-CYBMUJFWSA-N 1 1 292.387 -0.311 10 0 CBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000180481759 352094559 /nfs/dbraw/zinc/09/45/59/352094559.db2.gz WJDCXHDDKVQTJZ-CYBMUJFWSA-N 1 1 292.387 -0.311 10 0 CBAEMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000184182891 352112234 /nfs/dbraw/zinc/11/22/34/352112234.db2.gz NFVLWOBRXGRUJN-LBPRGKRZSA-N 1 1 296.415 -0.345 10 0 CBAEMO CCCCOC[C@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000195131975 352221172 /nfs/dbraw/zinc/22/11/72/352221172.db2.gz JVSRGKSZFKLYPT-CYBMUJFWSA-N 1 1 288.388 -0.045 10 0 CBAEMO CCCCOC[C@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000195131975 352221175 /nfs/dbraw/zinc/22/11/75/352221175.db2.gz JVSRGKSZFKLYPT-CYBMUJFWSA-N 1 1 288.388 -0.045 10 0 CBAEMO CC(=O)N[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000195179142 352222525 /nfs/dbraw/zinc/22/25/25/352222525.db2.gz AYWSEXXFCQGLFY-JTQLQIEISA-N 1 1 270.333 -0.438 10 0 CBAEMO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000195206750 352223474 /nfs/dbraw/zinc/22/34/74/352223474.db2.gz NAAYRLPCCVXYBB-CHWSQXEVSA-N 1 1 288.388 -0.311 10 0 CBAEMO O=C(CN1CCCS1(=O)=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195333993 352225832 /nfs/dbraw/zinc/22/58/32/352225832.db2.gz XTZFSGLRUVAMET-LLVKDONJSA-N 1 1 287.385 -0.672 10 0 CBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CCO)C1 ZINC000227571063 352257843 /nfs/dbraw/zinc/25/78/43/352257843.db2.gz XWIUPHKZNZYKJQ-UWVGGRQHSA-N 1 1 257.334 -0.075 10 0 CBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000227569630 352258446 /nfs/dbraw/zinc/25/84/46/352258446.db2.gz HRRLQZJGKZONKS-ZDUSSCGKSA-N 1 1 283.372 -0.619 10 0 CBAEMO CN(CCN1C(=O)CNC1=O)[C@H]1CCC[NH2+]CC1 ZINC000231670692 352277438 /nfs/dbraw/zinc/27/74/38/352277438.db2.gz GCJNZYPPGVJAMR-JTQLQIEISA-N 1 1 254.334 -0.388 10 0 CBAEMO C[C@@H](O)C1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000235290733 352286574 /nfs/dbraw/zinc/28/65/74/352286574.db2.gz SDLMTPPSEFEIAZ-GFCCVEGCSA-N 1 1 269.389 -0.099 10 0 CBAEMO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000236993113 352297139 /nfs/dbraw/zinc/29/71/39/352297139.db2.gz LMZVXVSXPHDKIY-VXGBXAGGSA-N 1 1 256.394 -0.134 10 0 CBAEMO COC(=O)CCCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000237146898 352300452 /nfs/dbraw/zinc/30/04/52/352300452.db2.gz XMLSZQDCBDNZEA-SNVBAGLBSA-N 1 1 258.318 -0.176 10 0 CBAEMO Cn1cc(CN2CC[N@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O ZINC000245703885 352324206 /nfs/dbraw/zinc/32/42/06/352324206.db2.gz DQMNVYWUZLSQKO-LBPRGKRZSA-N 1 1 278.356 -0.636 10 0 CBAEMO CC[C@@H]1CN(C[C@H](O)COC)CC[N@H+]1C[C@H](C)O ZINC000245939269 352326030 /nfs/dbraw/zinc/32/60/30/352326030.db2.gz YIUXKRRDARKJTD-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@H+](C[C@H](O)COC)CCN1C[C@H](C)O ZINC000245939269 352326035 /nfs/dbraw/zinc/32/60/35/352326035.db2.gz YIUXKRRDARKJTD-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COC)CCN1C[C@H](C)O ZINC000245939269 352326041 /nfs/dbraw/zinc/32/60/41/352326041.db2.gz YIUXKRRDARKJTD-XQQFMLRXSA-N 1 1 260.378 -0.229 10 0 CBAEMO C[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1N1CCOCC1 ZINC000246449714 352334004 /nfs/dbraw/zinc/33/40/04/352334004.db2.gz MQAGHJGMOWPEIT-NWDGAFQWSA-N 1 1 298.387 -0.386 10 0 CBAEMO COC(=O)CCNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246811647 352338817 /nfs/dbraw/zinc/33/88/17/352338817.db2.gz CDLJXGCRRZUORA-RYUDHWBXSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nncn2C)C[C@@H]1C ZINC000247041956 352342281 /nfs/dbraw/zinc/34/22/81/352342281.db2.gz DUYKFZZUCCZLOA-QWRGUYRKSA-N 1 1 253.350 -0.298 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(C)(=O)=O ZINC000247216595 352344402 /nfs/dbraw/zinc/34/44/02/352344402.db2.gz MDTGVLSPWUYNLX-MNOVXSKESA-N 1 1 289.401 -0.091 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)CN1CCOCC1 ZINC000247204202 352345219 /nfs/dbraw/zinc/34/52/19/352345219.db2.gz LTTHPTQGLCAZMS-ILXRZTDVSA-N 1 1 283.416 -0.152 10 0 CBAEMO CCNC(=O)NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247373103 352346164 /nfs/dbraw/zinc/34/61/64/352346164.db2.gz UYRDBQXMIQWLTD-JTQLQIEISA-N 1 1 254.334 -0.388 10 0 CBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000247316949 352346345 /nfs/dbraw/zinc/34/63/45/352346345.db2.gz WRFYRVITTOTXFR-OLZOCXBDSA-N 1 1 286.372 -0.557 10 0 CBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCC(N)=O ZINC000247540105 352346779 /nfs/dbraw/zinc/34/67/79/352346779.db2.gz YIMOARLGFDUIFJ-ZJUUUORDSA-N 1 1 271.386 -0.100 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnnn1 ZINC000247534461 352347402 /nfs/dbraw/zinc/34/74/02/352347402.db2.gz XWGHROMKYWPJPA-UWVGGRQHSA-N 1 1 250.306 -0.632 10 0 CBAEMO COCCOC[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261897426 352399487 /nfs/dbraw/zinc/39/94/87/352399487.db2.gz AATZKDMQXIQXHQ-MXWKQRLJSA-N 1 1 260.334 -0.469 10 0 CBAEMO Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@@H](O)C[C@@H]3CO)C2=O)n1 ZINC000249363848 352364500 /nfs/dbraw/zinc/36/45/00/352364500.db2.gz UBGNQSFJIINWPS-WOPDTQHZSA-N 1 1 294.355 -0.657 10 0 CBAEMO Cn1ccc(N2CCC[C@H]([N@H+]3C[C@@H](O)C[C@@H]3CO)C2=O)n1 ZINC000249363848 352364501 /nfs/dbraw/zinc/36/45/01/352364501.db2.gz UBGNQSFJIINWPS-WOPDTQHZSA-N 1 1 294.355 -0.657 10 0 CBAEMO [NH3+]Cc1nc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)no1 ZINC000261881716 352399819 /nfs/dbraw/zinc/39/98/19/352399819.db2.gz YNJNMMCSZAEZSA-RKDXNWHRSA-N 1 1 265.317 -0.229 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000261919616 352400443 /nfs/dbraw/zinc/40/04/43/352400443.db2.gz KDBSCFJKYYDBKZ-SVRRBLITSA-N 1 1 283.250 -0.842 10 0 CBAEMO Cn1c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(=O)n(C)c1=O ZINC000261769762 352396305 /nfs/dbraw/zinc/39/63/05/352396305.db2.gz OQRXFAHSNRFDSV-DLOVCJGASA-N 1 1 278.356 -0.747 10 0 CBAEMO Cc1nnc([C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCO2)[nH]1 ZINC000261837645 352397647 /nfs/dbraw/zinc/39/76/47/352397647.db2.gz ZLNUQDIPXSFTGY-NXEZZACHSA-N 1 1 265.317 -0.235 10 0 CBAEMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000248908690 352357732 /nfs/dbraw/zinc/35/77/32/352357732.db2.gz MHYDZAVCAYDHOX-GHMZBOCLSA-N 1 1 269.345 -0.556 10 0 CBAEMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000248908690 352357734 /nfs/dbraw/zinc/35/77/34/352357734.db2.gz MHYDZAVCAYDHOX-GHMZBOCLSA-N 1 1 269.345 -0.556 10 0 CBAEMO COCCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262246749 352412713 /nfs/dbraw/zinc/41/27/13/352412713.db2.gz LHRKIOKRCKJMIP-NEPJUHHUSA-N 1 1 271.361 -0.846 10 0 CBAEMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000262281432 352412976 /nfs/dbraw/zinc/41/29/76/352412976.db2.gz NYLDWPKMZFHWDT-MQYQWHSLSA-N 1 1 297.399 -0.458 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN(C)CC(F)(F)F ZINC000262285407 352414527 /nfs/dbraw/zinc/41/45/27/352414527.db2.gz OEQONFRPUVIVFG-BDAKNGLRSA-N 1 1 283.294 -0.026 10 0 CBAEMO COC[C@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000262360641 352418229 /nfs/dbraw/zinc/41/82/29/352418229.db2.gz VNDFHWDIUDAYIB-LBPRGKRZSA-N 1 1 287.404 -0.034 10 0 CBAEMO COC[C@@H]([NH3+])C(=O)N1CC(=O)Nc2cnccc21 ZINC000262382902 352419234 /nfs/dbraw/zinc/41/92/34/352419234.db2.gz NDWVBPWNIUTJPZ-SSDOTTSWSA-N 1 1 250.258 -0.660 10 0 CBAEMO CC[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CCN1C[C@@H](C)O ZINC000262824534 352434537 /nfs/dbraw/zinc/43/45/37/352434537.db2.gz XWNBSOVJLISDCA-UPJWGTAASA-N 1 1 287.404 -0.346 10 0 CBAEMO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263221650 352439802 /nfs/dbraw/zinc/43/98/02/352439802.db2.gz LXTCKAWVSLTIOE-MFKMUULPSA-N 1 1 289.335 -0.548 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000261984338 352402578 /nfs/dbraw/zinc/40/25/78/352402578.db2.gz RZVJJODXNWQYDH-DBIOUOCHSA-N 1 1 269.345 -0.476 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000261988460 352403016 /nfs/dbraw/zinc/40/30/16/352403016.db2.gz SJXMSFIAUFKGCV-ZJUUUORDSA-N 1 1 290.385 -0.696 10 0 CBAEMO C[C@@H](O)C1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262019147 352403500 /nfs/dbraw/zinc/40/35/00/352403500.db2.gz WJRIIDKYIPKOBQ-FOGDFJRCSA-N 1 1 256.346 -0.017 10 0 CBAEMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)CN1CCOCC1 ZINC000304316769 352746358 /nfs/dbraw/zinc/74/63/58/352746358.db2.gz SDKFLPSEDJEFOW-UPJWGTAASA-N 1 1 258.362 -0.211 10 0 CBAEMO Cn1c(I)c[nH+]c1NC(CO)CO ZINC000306731771 352753010 /nfs/dbraw/zinc/75/30/10/352753010.db2.gz RDBAPOFFMHDDJG-UHFFFAOYSA-N 1 1 297.096 -0.210 10 0 CBAEMO C[C@@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000310293376 352759130 /nfs/dbraw/zinc/75/91/30/352759130.db2.gz RZIJFSFGOXEONE-RKDXNWHRSA-N 1 1 258.347 -0.020 10 0 CBAEMO COCC[N@@H+](C)C[C@H](O)Cn1cc(C(=O)OC)nn1 ZINC000311577883 352768380 /nfs/dbraw/zinc/76/83/80/352768380.db2.gz NXJRFKMWNFTQPC-VIFPVBQESA-N 1 1 272.305 -0.996 10 0 CBAEMO NC(=O)NC(=O)CCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171638534 137630319 /nfs/dbraw/zinc/63/03/19/137630319.db2.gz COHGEXKHIVDFQF-SNVBAGLBSA-N 1 1 254.334 -0.259 10 0 CBAEMO NS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749243 137698228 /nfs/dbraw/zinc/69/82/28/137698228.db2.gz CBYSGLMJILUOIL-VXGBXAGGSA-N 1 1 275.418 -0.014 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCC[C@H]1O ZINC000352660165 353500178 /nfs/dbraw/zinc/50/01/78/353500178.db2.gz MYEJUSKRKQLSOZ-RWMBFGLXSA-N 1 1 258.362 -0.475 10 0 CBAEMO CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352678961 353500728 /nfs/dbraw/zinc/50/07/28/353500728.db2.gz YMCKWYWVPMQMHQ-NWDGAFQWSA-N 1 1 255.362 -0.394 10 0 CBAEMO COc1c(CNC[C@@]2(O)CC[N@@H+](C)C2)c(C)nn1C ZINC000358154827 353630459 /nfs/dbraw/zinc/63/04/59/353630459.db2.gz DZYXXFOMTSDMSR-ZDUSSCGKSA-N 1 1 268.361 -0.107 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ncc[nH]3)C[C@@H]12 ZINC000383583492 353785805 /nfs/dbraw/zinc/78/58/05/353785805.db2.gz MLXGZOONKFVJAF-IWSPIJDZSA-N 1 1 256.331 -0.233 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000380429280 353782263 /nfs/dbraw/zinc/78/22/63/353782263.db2.gz ZOSRJNAZOJUBDL-AWEZNQCLSA-N 1 1 283.372 -0.253 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000380429280 353782268 /nfs/dbraw/zinc/78/22/68/353782268.db2.gz ZOSRJNAZOJUBDL-AWEZNQCLSA-N 1 1 283.372 -0.253 10 0 CBAEMO C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1O ZINC000380673946 353783277 /nfs/dbraw/zinc/78/32/77/353783277.db2.gz CJPFRTQVDYRKKB-VHSXEESVSA-N 1 1 250.364 -0.420 10 0 CBAEMO CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404168467 353805351 /nfs/dbraw/zinc/80/53/51/353805351.db2.gz UQELWVICYOMWEO-RYUDHWBXSA-N 1 1 292.401 -0.196 10 0 CBAEMO COCCS(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404207887 353806588 /nfs/dbraw/zinc/80/65/88/353806588.db2.gz TXVSSPMDGHWAIH-NXEZZACHSA-N 1 1 264.347 -0.975 10 0 CBAEMO CN(C)C(=O)CCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000385680357 353787366 /nfs/dbraw/zinc/78/73/66/353787366.db2.gz CLTVCYFLZMHJLI-LBPRGKRZSA-N 1 1 257.334 -0.833 10 0 CBAEMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000511554791 354554614 /nfs/dbraw/zinc/55/46/14/354554614.db2.gz MYEJUSKRKQLSOZ-JHJVBQTASA-N 1 1 258.362 -0.475 10 0 CBAEMO C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000563231542 354703875 /nfs/dbraw/zinc/70/38/75/354703875.db2.gz KNDFNYPKUSLGBV-TUAOUCFPSA-N 1 1 275.418 -0.002 10 0 CBAEMO O=S1(=O)NC([C@H]2C[C@@H](O)C[NH2+]2)=Nc2ccccc21 ZINC000575434079 354936214 /nfs/dbraw/zinc/93/62/14/354936214.db2.gz ISYWMFRQGDKHCH-VXNVDRBHSA-N 1 1 267.310 -0.269 10 0 CBAEMO CCOC(=O)COCC[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000589252977 355066427 /nfs/dbraw/zinc/06/64/27/355066427.db2.gz IBKBFXOSQVXIKI-GFCCVEGCSA-N 1 1 274.361 -0.172 10 0 CBAEMO CNc1cccc([C@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616638105 356104967 /nfs/dbraw/zinc/10/49/67/356104967.db2.gz GSVRAKBCEXJBHY-LLVKDONJSA-N 1 1 270.358 -0.122 10 0 CBAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000616650988 356106506 /nfs/dbraw/zinc/10/65/06/356106506.db2.gz FJHWJVYEUWIJEP-SNVBAGLBSA-N 1 1 259.306 -0.025 10 0 CBAEMO Nc1cccc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)c1 ZINC000616600698 356101754 /nfs/dbraw/zinc/10/17/54/356101754.db2.gz HSYORDDPFHTZBD-JTQLQIEISA-N 1 1 256.331 -0.581 10 0 CBAEMO COC(=O)CNC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113271497 291087350 /nfs/dbraw/zinc/08/73/50/291087350.db2.gz JCGHOZXHLNDUGE-NWDGAFQWSA-N 1 1 283.372 -0.166 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)O1 ZINC000622132024 356309024 /nfs/dbraw/zinc/30/90/24/356309024.db2.gz JENZFCZHMMISBH-LBELIVKGSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)O1 ZINC000622132024 356309025 /nfs/dbraw/zinc/30/90/25/356309025.db2.gz JENZFCZHMMISBH-LBELIVKGSA-N 1 1 294.355 -0.607 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1nncn1C ZINC000631963546 356935485 /nfs/dbraw/zinc/93/54/85/356935485.db2.gz FTJPCEIDTQPGBT-UWVGGRQHSA-N 1 1 285.373 -0.328 10 0 CBAEMO CCc1[nH+]ccn1CC(=O)N(C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000643586273 357790202 /nfs/dbraw/zinc/79/02/02/357790202.db2.gz RXKRMZNSMUROLL-GYSYKLTISA-N 1 1 297.355 -0.321 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000261881389 291209618 /nfs/dbraw/zinc/20/96/18/291209618.db2.gz FIMCJXIFOXJEBW-BBBLOLIVSA-N 1 1 276.358 -0.991 10 0 CBAEMO Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@H](O)C[C@@H]3CO)C2=O)n1 ZINC000184728377 189394315 /nfs/dbraw/zinc/39/43/15/189394315.db2.gz UBGNQSFJIINWPS-UTUOFQBUSA-N 1 1 294.355 -0.657 10 0 CBAEMO Cn1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@@H]3CO)C2=O)n1 ZINC000184728377 189394316 /nfs/dbraw/zinc/39/43/16/189394316.db2.gz UBGNQSFJIINWPS-UTUOFQBUSA-N 1 1 294.355 -0.657 10 0 CBAEMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247506833 299336836 /nfs/dbraw/zinc/33/68/36/299336836.db2.gz VLLIQAHPVNTFIJ-VWYCJHECSA-N 1 1 289.401 -0.381 10 0 CBAEMO C[C@@](O)(C[N@H+]1CC[C@](O)(C(N)=O)C1)c1ccccc1 ZINC000276502450 193359017 /nfs/dbraw/zinc/35/90/17/193359017.db2.gz XXUPQTIVLWOAPJ-ZIAGYGMSSA-N 1 1 264.325 -0.184 10 0 CBAEMO C[C@H]1COC[C@H](C)N1CC(=O)N1CC[NH+](C)CC1 ZINC000121126098 372793545 /nfs/dbraw/zinc/79/35/45/372793545.db2.gz VINQSLMXUPTCCZ-RYUDHWBXSA-N 1 1 255.362 -0.130 10 0 CBAEMO CC(C)NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173942821 372833013 /nfs/dbraw/zinc/83/30/13/372833013.db2.gz QCZPJZHSPRIYRL-LBPRGKRZSA-N 1 1 255.362 -0.083 10 0 CBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245431038 372881961 /nfs/dbraw/zinc/88/19/61/372881961.db2.gz NWALNNMVSCBWDM-CHWSQXEVSA-N 1 1 283.372 -0.750 10 0 CBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245431038 372881969 /nfs/dbraw/zinc/88/19/69/372881969.db2.gz NWALNNMVSCBWDM-CHWSQXEVSA-N 1 1 283.372 -0.750 10 0 CBAEMO [NH3+][C@@H]1CC[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 ZINC000261572520 372906659 /nfs/dbraw/zinc/90/66/59/372906659.db2.gz LRAYWRCTMJYULE-GMTAPVOTSA-N 1 1 251.330 -0.196 10 0 CBAEMO C[N@@H+](C[C@H](O)CN1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836075 373024786 /nfs/dbraw/zinc/02/47/86/373024786.db2.gz KLXXUSAZIRZFFP-GJZGRUSLSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836075 373024794 /nfs/dbraw/zinc/02/47/94/373024794.db2.gz KLXXUSAZIRZFFP-GJZGRUSLSA-N 1 1 283.416 -0.152 10 0 CBAEMO CN(C[C@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000336836075 373024799 /nfs/dbraw/zinc/02/47/99/373024799.db2.gz KLXXUSAZIRZFFP-GJZGRUSLSA-N 1 1 283.416 -0.152 10 0 CBAEMO CO[C@@]1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCOC1 ZINC000356512587 373164806 /nfs/dbraw/zinc/16/48/06/373164806.db2.gz ISSZUXOWBJAVAW-AWEZNQCLSA-N 1 1 286.372 -0.293 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)NCc2ccco2)C1 ZINC000344903947 217352492 /nfs/dbraw/zinc/35/24/92/217352492.db2.gz ZMDYUWYPSKLRRA-PWSUYJOCSA-N 1 1 268.313 -0.023 10 0 CBAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000344903947 217352493 /nfs/dbraw/zinc/35/24/93/217352493.db2.gz ZMDYUWYPSKLRRA-PWSUYJOCSA-N 1 1 268.313 -0.023 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000344891906 217347882 /nfs/dbraw/zinc/34/78/82/217347882.db2.gz BTZVCXJRPKVDCQ-GMTAPVOTSA-N 1 1 265.375 -0.251 10 0 CBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000344891906 217347884 /nfs/dbraw/zinc/34/78/84/217347884.db2.gz BTZVCXJRPKVDCQ-GMTAPVOTSA-N 1 1 265.375 -0.251 10 0 CBAEMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250422688 189966079 /nfs/dbraw/zinc/96/60/79/189966079.db2.gz ZRRMCZBIYWIJON-RWMBFGLXSA-N 1 1 268.405 -0.134 10 0 CBAEMO CCO[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC000644428847 374563471 /nfs/dbraw/zinc/56/34/71/374563471.db2.gz DFUDXJYGIYJALO-QWHCGFSZSA-N 1 1 272.345 -0.635 10 0 CBAEMO C[NH2+][C@H](C(=O)NC[C@H](C)N1CCOCC1)c1cnn(C)c1 ZINC000262449096 190055404 /nfs/dbraw/zinc/05/54/04/190055404.db2.gz VTKGRYVZNBOWTM-AAEUAGOBSA-N 1 1 295.387 -0.483 10 0 CBAEMO C[NH2+][C@@H](C(=O)NC[C@@H](C)N1CCOCC1)c1cnn(C)c1 ZINC000262449097 190055751 /nfs/dbraw/zinc/05/57/51/190055751.db2.gz VTKGRYVZNBOWTM-DGCLKSJQSA-N 1 1 295.387 -0.483 10 0 CBAEMO NC(=O)NC(=O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000172803947 295071543 /nfs/dbraw/zinc/07/15/43/295071543.db2.gz FFJZYNNSXXGGSJ-JTQLQIEISA-N 1 1 254.334 -0.259 10 0 CBAEMO NC(=O)NC(=O)CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000172803947 295071545 /nfs/dbraw/zinc/07/15/45/295071545.db2.gz FFJZYNNSXXGGSJ-JTQLQIEISA-N 1 1 254.334 -0.259 10 0 CBAEMO Cc1cnn(C[C@H]2C[N@H+](CCOCCO)CCO2)c1 ZINC000132980547 207373864 /nfs/dbraw/zinc/37/38/64/207373864.db2.gz KZAGQWYJIPOLPE-CYBMUJFWSA-N 1 1 269.345 -0.099 10 0 CBAEMO Cc1cnn(C[C@H]2C[N@@H+](CCOCCO)CCO2)c1 ZINC000132980547 207373868 /nfs/dbraw/zinc/37/38/68/207373868.db2.gz KZAGQWYJIPOLPE-CYBMUJFWSA-N 1 1 269.345 -0.099 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000040810313 184548275 /nfs/dbraw/zinc/54/82/75/184548275.db2.gz ZKLPEQRLVWUZOM-DTWKUNHWSA-N 1 1 279.296 -0.855 10 0 CBAEMO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000195202122 207473494 /nfs/dbraw/zinc/47/34/94/207473494.db2.gz XVLGUTXAJCBCEV-GFCCVEGCSA-N 1 1 274.361 -0.700 10 0 CBAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCNS(C)(=O)=O ZINC000175342900 285240031 /nfs/dbraw/zinc/24/00/31/285240031.db2.gz VUUNANDOIMMEOE-LLVKDONJSA-N 1 1 263.407 -0.048 10 0 CBAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)NC(=O)NC ZINC000175349109 285274137 /nfs/dbraw/zinc/27/41/37/285274137.db2.gz TZEYWTKTNLKIOI-JTQLQIEISA-N 1 1 256.350 -0.142 10 0 CBAEMO C[C@H](C(=O)N(C)C)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247057499 289243067 /nfs/dbraw/zinc/24/30/67/289243067.db2.gz FQOXUABERQDFGS-SDDRHHMPSA-N 1 1 257.378 -0.150 10 0 CBAEMO CC[C@@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1CCOC ZINC000171573739 287193844 /nfs/dbraw/zinc/19/38/44/287193844.db2.gz FKZYBKJJLXXHHT-GFCCVEGCSA-N 1 1 293.433 -0.292 10 0 CBAEMO CC(C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@H](O)[C@@H]12)[C@H](C)O ZINC000005481925 170103887 /nfs/dbraw/zinc/10/38/87/170103887.db2.gz SFVVQRJOGUKCEG-MUYACECFSA-N 1 1 299.367 -0.327 10 0 in-vitro CBAEMO Cc1cc(NC(=O)[C@H]([NH3+])CC(N)=O)ccc1-n1cnnn1 ZINC000037630401 411623536 /nfs/dbraw/zinc/62/35/36/411623536.db2.gz DKXRKZCETOPATC-SECBINFHSA-N 1 1 289.299 -0.888 10 0 CBAEMO CCN1CCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247720 171101192 /nfs/dbraw/zinc/10/11/92/171101192.db2.gz BWVDEGIOFWCLCI-NSHDSACASA-N 1 1 276.406 -0.790 10 0 CBAEMO CC[NH+]1CCN(C(=O)Cn2ncn3cccc3c2=O)CC1 ZINC000020901609 171278452 /nfs/dbraw/zinc/27/84/52/171278452.db2.gz WJMJPHMCBYMZAG-UHFFFAOYSA-N 1 1 289.339 -0.340 10 0 CBAEMO CN(C)CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022220838 171377871 /nfs/dbraw/zinc/37/78/71/171377871.db2.gz RNLJWKQMFTVSGF-UHFFFAOYSA-N 1 1 257.359 -0.015 10 0 CBAEMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000284959428 196165904 /nfs/dbraw/zinc/16/59/04/196165904.db2.gz JNFOMHJNFZLDOD-DZGCQCFKSA-N 1 1 294.351 -0.514 10 0 CBAEMO COCCN(C(=O)[C@H]([NH3+])CC(N)=O)[C@H](C)C1CC1 ZINC000037814804 173763332 /nfs/dbraw/zinc/76/33/32/173763332.db2.gz PGDWJUQDQDVRCI-PSASIEDQSA-N 1 1 257.334 -0.537 10 0 CBAEMO COC(=O)C[C@@H](C)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031367 174026475 /nfs/dbraw/zinc/02/64/75/174026475.db2.gz YXYSGJHUURNNPW-SNVBAGLBSA-N 1 1 257.334 -0.698 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cc(N)cn1 ZINC000071187611 176060981 /nfs/dbraw/zinc/06/09/81/176060981.db2.gz FXKKZQSVIKCCHL-SNVBAGLBSA-N 1 1 251.334 -0.125 10 0 CBAEMO Cn1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000071349364 176133129 /nfs/dbraw/zinc/13/31/29/176133129.db2.gz HVVPVWWUIVXQKV-UHFFFAOYSA-N 1 1 287.385 -0.286 10 0 CBAEMO Cn1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000071349364 176133130 /nfs/dbraw/zinc/13/31/30/176133130.db2.gz HVVPVWWUIVXQKV-UHFFFAOYSA-N 1 1 287.385 -0.286 10 0 CBAEMO CN(C)C[C@@H](CC[NH3+])N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076678823 177057052 /nfs/dbraw/zinc/05/70/52/177057052.db2.gz LOHNKVAYFZRRSW-GHMZBOCLSA-N 1 1 263.407 -0.616 10 0 CBAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372903942 287393681 /nfs/dbraw/zinc/39/36/81/287393681.db2.gz QOEQNEZVTPCEIZ-VHSXEESVSA-N 1 1 250.364 -0.100 10 0 CBAEMO CCN1CCC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000089700136 544436129 /nfs/dbraw/zinc/43/61/29/544436129.db2.gz GVBKKFHUNTYHLP-SNVBAGLBSA-N 1 1 266.349 -0.549 10 0 CBAEMO CC[N@@H+](CC(=O)NC[C@@H](O)CN1CCOCC1)C1CC1 ZINC000132798300 544462258 /nfs/dbraw/zinc/46/22/58/544462258.db2.gz RURWNEVFNBPAMH-CYBMUJFWSA-N 1 1 285.388 -0.720 10 0 CBAEMO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000135277411 544463596 /nfs/dbraw/zinc/46/35/96/544463596.db2.gz BFBGEVXWHTUHNS-VIFPVBQESA-N 1 1 257.334 -0.604 10 0 CBAEMO CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ncc[nH]1 ZINC000328637594 544532234 /nfs/dbraw/zinc/53/22/34/544532234.db2.gz WBDXOSMVFKGSKM-RYUDHWBXSA-N 1 1 293.371 -0.445 10 0 CBAEMO CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ncc[nH]1 ZINC000328637594 544532236 /nfs/dbraw/zinc/53/22/36/544532236.db2.gz WBDXOSMVFKGSKM-RYUDHWBXSA-N 1 1 293.371 -0.445 10 0 CBAEMO NS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245583433 544510669 /nfs/dbraw/zinc/51/06/69/544510669.db2.gz DGJAZYLHIBWRJJ-QJPTWQEYSA-N 1 1 291.417 -0.205 10 0 CBAEMO CC[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC2)C1 ZINC000252698935 544514634 /nfs/dbraw/zinc/51/46/34/544514634.db2.gz PXSXUDJVIDDVSQ-WDEREUQCSA-N 1 1 257.334 -0.205 10 0 CBAEMO CC[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC2)C1 ZINC000252698935 544514641 /nfs/dbraw/zinc/51/46/41/544514641.db2.gz PXSXUDJVIDDVSQ-WDEREUQCSA-N 1 1 257.334 -0.205 10 0 CBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCn2ccccc2=O)C1 ZINC000310891231 544529781 /nfs/dbraw/zinc/52/97/81/544529781.db2.gz ULGGYODLXAWSQP-NWDGAFQWSA-N 1 1 252.314 -0.070 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660523580 419406464 /nfs/dbraw/zinc/40/64/64/419406464.db2.gz YJXHGLVEQNUPJX-WPRPVWTQSA-N 1 1 264.272 -0.277 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000040677895 419416395 /nfs/dbraw/zinc/41/63/95/419416395.db2.gz ZGLCGUNTBVFHPH-SNVBAGLBSA-N 1 1 263.297 -0.390 10 0 CBAEMO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000110357875 419486048 /nfs/dbraw/zinc/48/60/48/419486048.db2.gz BVBUBIJNSGNCSV-NWDGAFQWSA-N 1 1 281.356 -0.554 10 0 CBAEMO CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088371015 419473398 /nfs/dbraw/zinc/47/33/98/419473398.db2.gz ZCOKRGXZWIJFEL-WDEREUQCSA-N 1 1 285.344 -0.288 10 0 CBAEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1COCCN1 ZINC000132870521 419500839 /nfs/dbraw/zinc/50/08/39/419500839.db2.gz UGCLLHILYUHOQK-WOPDTQHZSA-N 1 1 253.346 -0.282 10 0 CBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000182039396 419509083 /nfs/dbraw/zinc/50/90/83/419509083.db2.gz POYGDQPWQRLJLH-VXGBXAGGSA-N 1 1 271.361 -0.127 10 0 CBAEMO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394374147 544579803 /nfs/dbraw/zinc/57/98/03/544579803.db2.gz RRMVOKGKPZJSSH-JHJVBQTASA-N 1 1 266.389 -0.652 10 0 CBAEMO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394388622 544582229 /nfs/dbraw/zinc/58/22/29/544582229.db2.gz NCNOTEVDJZJDAN-QWHCGFSZSA-N 1 1 268.405 -0.134 10 0 CBAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@H]1C ZINC000247054074 419592631 /nfs/dbraw/zinc/59/26/31/419592631.db2.gz FLZIOVATTROXIH-ZJUUUORDSA-N 1 1 299.400 -0.137 10 0 CBAEMO O=C(N[C@@H]1CCNC1=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662838340 419744745 /nfs/dbraw/zinc/74/47/45/419744745.db2.gz GOMDPMNIPJHYSH-VXGBXAGGSA-N 1 1 259.309 -0.294 10 0 CBAEMO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000662861566 419757815 /nfs/dbraw/zinc/75/78/15/419757815.db2.gz KOBPEGOKTBGLNG-JGVFFNPUSA-N 1 1 250.245 -0.485 10 0 CBAEMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC(F)(F)CN1 ZINC000662906279 419769744 /nfs/dbraw/zinc/76/97/44/419769744.db2.gz LMQWDBUTAMONON-WDEREUQCSA-N 1 1 288.342 -0.510 10 0 CBAEMO O=C([C@@H]1C[NH2+]CCOC1)N1CCN2CCCC[C@H]2C1 ZINC000649311537 419874724 /nfs/dbraw/zinc/87/47/24/419874724.db2.gz YHEHVYOSCYSNKW-OLZOCXBDSA-N 1 1 267.373 -0.081 10 0 CBAEMO COC[C@@]1(C(=O)NC[C@@H]2CN(C)CCN2C)CCC[NH2+]1 ZINC000649352667 419904455 /nfs/dbraw/zinc/90/44/55/419904455.db2.gz CNYAHPXVRWIXKS-TZMCWYRMSA-N 1 1 284.404 -0.883 10 0 CBAEMO C[C@@H]1CN(C(=O)Cc2cnnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000669320111 544746335 /nfs/dbraw/zinc/74/63/35/544746335.db2.gz KZISVSUMNIPVIU-DGCLKSJQSA-N 1 1 293.371 -0.463 10 0 CBAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H]([C@@H]2CNC(=O)CN2)C1 ZINC000669378376 544748310 /nfs/dbraw/zinc/74/83/10/544748310.db2.gz BYOQDXXRWLFUNI-UWVGGRQHSA-N 1 1 284.360 -0.717 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000367017180 420098246 /nfs/dbraw/zinc/09/82/46/420098246.db2.gz VBUYLPJGKYWEKQ-ZDUSSCGKSA-N 1 1 297.380 -0.324 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000367017180 420098250 /nfs/dbraw/zinc/09/82/50/420098250.db2.gz VBUYLPJGKYWEKQ-ZDUSSCGKSA-N 1 1 297.380 -0.324 10 0 CBAEMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399045920 420217315 /nfs/dbraw/zinc/21/73/15/420217315.db2.gz DSIABFZMELKBQE-GARJFASQSA-N 1 1 269.345 -0.075 10 0 CBAEMO CCN1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1=O ZINC000391635531 420208182 /nfs/dbraw/zinc/20/81/82/420208182.db2.gz HWOOAJXJDMGTFB-KKZNHRDASA-N 1 1 255.318 -0.900 10 0 CBAEMO CC(C)(C)n1nnc(CN[C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000653549414 420149914 /nfs/dbraw/zinc/14/99/14/420149914.db2.gz RDUJTCQLLYSGBL-LLVKDONJSA-N 1 1 282.392 -0.026 10 0 CBAEMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370533164 420180695 /nfs/dbraw/zinc/18/06/95/420180695.db2.gz JHWXHFCDRIRQQD-HZMBPMFUSA-N 1 1 283.372 -0.254 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495233 420257545 /nfs/dbraw/zinc/25/75/45/420257545.db2.gz LTXXSKRPZHRGOX-WDEREUQCSA-N 1 1 269.345 -0.251 10 0 CBAEMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000657607599 420360317 /nfs/dbraw/zinc/36/03/17/420360317.db2.gz ZPWZXKUJLXSQRZ-MNOVXSKESA-N 1 1 273.358 -0.370 10 0 CBAEMO CCn1ncc(C[NH2+]CCOC)c1S(N)(=O)=O ZINC000675074857 544925260 /nfs/dbraw/zinc/92/52/60/544925260.db2.gz JGVMZBOCRMVZGR-UHFFFAOYSA-N 1 1 262.335 -0.714 10 0 CBAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398871609 269587922 /nfs/dbraw/zinc/58/79/22/269587922.db2.gz VCENPYBQHOGRNG-XFWSIPNHSA-N 1 1 255.318 -0.337 10 0 CBAEMO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1COCC[NH2+]1 ZINC000227326714 274995830 /nfs/dbraw/zinc/99/58/30/274995830.db2.gz LHWMCONBDMJGAJ-UPJWGTAASA-N 1 1 262.309 -0.251 10 0 CBAEMO COCCNCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258655 545083574 /nfs/dbraw/zinc/08/35/74/545083574.db2.gz WBYZTRYWLQAWDB-UHFFFAOYSA-N 1 1 253.306 -0.798 10 0 CBAEMO O=C1C[C@@H]([NH+]2CCN(CCO)CC2)C[C@H](C(F)(F)F)N1 ZINC000725263247 545083630 /nfs/dbraw/zinc/08/36/30/545083630.db2.gz ZFYHWCLAIUTKQV-VHSXEESVSA-N 1 1 295.305 -0.194 10 0 CBAEMO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261895783 277045695 /nfs/dbraw/zinc/04/56/95/277045695.db2.gz HDPOWMGIEYYDQE-JLLWLGSASA-N 1 1 269.345 -0.510 10 0 CBAEMO CCN(CC(C)(O)O)[C@H](O)C[N@@H+](CC)C[C@H](C)O ZINC000215825790 279218263 /nfs/dbraw/zinc/21/82/63/279218263.db2.gz LELFURRFUGDSSE-WDEREUQCSA-N 1 1 264.366 -0.970 10 0 CBAEMO C[C@H](CNC(=O)[C@H]1NCCO[C@@H]1C)[N@@H+](C)C1CC1 ZINC000262084437 279344057 /nfs/dbraw/zinc/34/40/57/279344057.db2.gz CPHHNVSPOACWGB-FOGDFJRCSA-N 1 1 255.362 -0.038 10 0 CBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000262281370 280059249 /nfs/dbraw/zinc/05/92/49/280059249.db2.gz NXSLIMFCOPKYKI-YWVKMMECSA-N 1 1 255.318 -0.900 10 0 CBAEMO O=C([C@@H]1COCC[NH2+]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261572241 280104569 /nfs/dbraw/zinc/10/45/69/280104569.db2.gz LPBYSSIIXALXHA-IONNQARKSA-N 1 1 268.235 -0.500 10 0 CBAEMO C[C@@](O)(C[N@H+]1CCC[C@@](O)(C(N)=O)C1)C(F)(F)F ZINC000375465158 289117987 /nfs/dbraw/zinc/11/79/87/289117987.db2.gz HCLBVUMAASPKRE-BDAKNGLRSA-N 1 1 270.251 -0.388 10 0 CBAEMO NC(=O)NC(=O)CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000172803947 295071540 /nfs/dbraw/zinc/07/15/40/295071540.db2.gz FFJZYNNSXXGGSJ-JTQLQIEISA-N 1 1 254.334 -0.259 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@H+](CCN2CCCCC2)C1 ZINC000225481946 303337863 /nfs/dbraw/zinc/33/78/63/303337863.db2.gz GUYNLDCVNYOVRM-ZDUSSCGKSA-N 1 1 255.362 -0.216 10 0 CBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCN2CCCCC2)C1 ZINC000225481946 303337865 /nfs/dbraw/zinc/33/78/65/303337865.db2.gz GUYNLDCVNYOVRM-ZDUSSCGKSA-N 1 1 255.362 -0.216 10 0 CBAEMO C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000563231541 327987560 /nfs/dbraw/zinc/98/75/60/327987560.db2.gz KNDFNYPKUSLGBV-SRVKXCTJSA-N 1 1 275.418 -0.002 10 0 CBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000172061255 335093059 /nfs/dbraw/zinc/09/30/59/335093059.db2.gz ZDKWJDMOCCEIHD-WDEREUQCSA-N 1 1 289.401 -0.379 10 0 CBAEMO CCNS(=O)(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000182404552 327393917 /nfs/dbraw/zinc/39/39/17/327393917.db2.gz UASOVBGZRLWXFR-SNVBAGLBSA-N 1 1 265.379 -0.771 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000172459292 335105783 /nfs/dbraw/zinc/10/57/83/335105783.db2.gz CCIWMXIHJKQZJZ-LLVKDONJSA-N 1 1 279.406 -0.117 10 0 CBAEMO CCNS(=O)(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000172459292 335105784 /nfs/dbraw/zinc/10/57/84/335105784.db2.gz CCIWMXIHJKQZJZ-LLVKDONJSA-N 1 1 279.406 -0.117 10 0 CBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2ccnn2)C[C@H]1C ZINC000174317911 335152500 /nfs/dbraw/zinc/15/25/00/335152500.db2.gz JHRQWWMTWHCLSA-VXGBXAGGSA-N 1 1 281.360 -0.418 10 0 CBAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000384862577 336132948 /nfs/dbraw/zinc/13/29/48/336132948.db2.gz DQTNHDWTEURSIK-RYUDHWBXSA-N 1 1 255.362 -0.394 10 0 CBAEMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000386343917 336171064 /nfs/dbraw/zinc/17/10/64/336171064.db2.gz LZCYIYVWIJAANX-GFCCVEGCSA-N 1 1 257.334 -0.835 10 0 CBAEMO CC(C)[C@H](CN(C)C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000049226460 519814789 /nfs/dbraw/zinc/81/47/89/519814789.db2.gz JYJVERBDGJIJNO-NSHDSACASA-N 1 1 278.422 -0.688 10 0 CBAEMO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)C(=O)NCC)C1=O ZINC000049199914 521699664 /nfs/dbraw/zinc/69/96/64/521699664.db2.gz OOSPJSJEAPMFCM-DTWKUNHWSA-N 1 1 255.318 -0.362 10 0 CBAEMO COCC[C@@H]([NH3+])C(=O)N1CCCN(CCOC)CC1 ZINC000052809125 521819068 /nfs/dbraw/zinc/81/90/68/521819068.db2.gz YMTIKVKCIGMREQ-GFCCVEGCSA-N 1 1 273.377 -0.469 10 0 CBAEMO CN1CCC([NH2+]CC(=O)NC2CCOCC2)CC1 ZINC000062768509 523775607 /nfs/dbraw/zinc/77/56/07/523775607.db2.gz OPYZXDXGQLMTAW-UHFFFAOYSA-N 1 1 255.362 -0.035 10 0 CBAEMO Cc1csc(=O)n1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367013720 534774930 /nfs/dbraw/zinc/77/49/30/534774930.db2.gz BFIRPIJGGKIHCM-GFCCVEGCSA-N 1 1 285.369 -0.470 10 0 CBAEMO CS(=O)(=O)c1ccc(Cn2nnnc2C[NH3+])cc1 ZINC000054748151 525250433 /nfs/dbraw/zinc/25/04/33/525250433.db2.gz DWTYPEYVBYSXBE-UHFFFAOYSA-N 1 1 267.314 -0.416 10 0 CBAEMO NC(=O)[C@@H](CCN1CCN(C2CC2)CC1)[NH2+]C1CC1 ZINC000062527075 526952758 /nfs/dbraw/zinc/95/27/58/526952758.db2.gz DVKQCGHHIXXTOW-CYBMUJFWSA-N 1 1 266.389 -0.238 10 0 CBAEMO NC(=O)[C@H](CCN1CCN(C2CC2)CC1)[NH2+]C1CC1 ZINC000062527072 526991944 /nfs/dbraw/zinc/99/19/44/526991944.db2.gz DVKQCGHHIXXTOW-ZDUSSCGKSA-N 1 1 266.389 -0.238 10 0 CBAEMO Nc1cc(=O)[nH]c(=O)n1[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049568769 527440567 /nfs/dbraw/zinc/44/05/67/527440567.db2.gz PHIWCNSIIXMIQU-BDAKNGLRSA-N 1 1 250.302 -0.082 10 0 CBAEMO Nc1ncn(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]23)n1 ZINC000049562910 527573712 /nfs/dbraw/zinc/57/37/12/527573712.db2.gz QDVGTUWSLIYECD-DTWKUNHWSA-N 1 1 250.306 -0.787 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCOC1CCCCC1 ZINC000111641042 582115183 /nfs/dbraw/zinc/11/51/83/582115183.db2.gz MGWCQVCSZWSYGG-SNVBAGLBSA-N 1 1 257.334 -0.345 10 0 CBAEMO O=C(CN1CC(=O)NC1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111563160 582115232 /nfs/dbraw/zinc/11/52/32/582115232.db2.gz NJPASKGFHAVONV-SNVBAGLBSA-N 1 1 280.328 -0.765 10 0 CBAEMO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@H](C(N)=O)O1 ZINC000122872509 582118883 /nfs/dbraw/zinc/11/88/83/582118883.db2.gz NBMAPTIPUOTQDP-OPRDCNLKSA-N 1 1 256.302 -0.486 10 0 CBAEMO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)C[C@H](C(N)=O)O1 ZINC000122872509 582118884 /nfs/dbraw/zinc/11/88/84/582118884.db2.gz NBMAPTIPUOTQDP-OPRDCNLKSA-N 1 1 256.302 -0.486 10 0 CBAEMO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@@H](C(N)=O)O1 ZINC000122872699 582118895 /nfs/dbraw/zinc/11/88/95/582118895.db2.gz NBMAPTIPUOTQDP-BBBLOLIVSA-N 1 1 256.302 -0.486 10 0 CBAEMO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)C[C@@H](C(N)=O)O1 ZINC000122872699 582118896 /nfs/dbraw/zinc/11/88/96/582118896.db2.gz NBMAPTIPUOTQDP-BBBLOLIVSA-N 1 1 256.302 -0.486 10 0 CBAEMO CC[C@@H]1CN(Cn2ncn(C)c2=O)CC[N@H+]1CCOC ZINC000132818770 582124247 /nfs/dbraw/zinc/12/42/47/582124247.db2.gz OGYKAZHPGUMRLS-GFCCVEGCSA-N 1 1 283.376 -0.418 10 0 CBAEMO COCC[N@H+]1CCN(Cn2ncn(C)c2=O)C[C@@H]1C ZINC000132817176 582124253 /nfs/dbraw/zinc/12/42/53/582124253.db2.gz ZQEJXJCWXAAKLG-NSHDSACASA-N 1 1 269.349 -0.808 10 0 CBAEMO O=S(=O)(c1ccc(CO)cc1)N1CC[NH2+]CC1 ZINC000757192267 582305281 /nfs/dbraw/zinc/30/52/81/582305281.db2.gz JKUTTYCBWFPCHF-UHFFFAOYSA-N 1 1 256.327 -0.227 10 0 CBAEMO NS(=O)(=O)C[C@H]1OC(=O)C[C@@]12C[NH+]1CCC2CC1 ZINC000757216179 582305337 /nfs/dbraw/zinc/30/53/37/582305337.db2.gz GWFWCDBCBPJITA-KOLCDFICSA-N 1 1 274.342 -0.698 10 0 CBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCn3ccnc32)O1 ZINC000857901982 583685256 /nfs/dbraw/zinc/68/52/56/583685256.db2.gz OSIPZMBRVHTONK-NXEZZACHSA-N 1 1 250.302 -0.051 10 0 CBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCn3ccnc32)O1 ZINC000857901982 583685258 /nfs/dbraw/zinc/68/52/58/583685258.db2.gz OSIPZMBRVHTONK-NXEZZACHSA-N 1 1 250.302 -0.051 10 0 CBAEMO CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CC(N)=O)C1 ZINC000886082620 584430812 /nfs/dbraw/zinc/43/08/12/584430812.db2.gz XSYJPXXNQXYXQO-TUAOUCFPSA-N 1 1 283.372 -0.038 10 0 CBAEMO O=C(CN1CCNC(=O)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000900412625 584803761 /nfs/dbraw/zinc/80/37/61/584803761.db2.gz VAYWUBPSFJLSES-LBPRGKRZSA-N 1 1 280.372 -0.885 10 0 CBAEMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCn2ccnc2C1 ZINC000900665442 584820155 /nfs/dbraw/zinc/82/01/55/584820155.db2.gz LRJFCBHXQNHZAH-GWCFXTLKSA-N 1 1 264.329 -0.320 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCn2ccnc2C1 ZINC000900665452 584820179 /nfs/dbraw/zinc/82/01/79/584820179.db2.gz LRJFCBHXQNHZAH-MFKMUULPSA-N 1 1 264.329 -0.320 10 0 CBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900901517 584832432 /nfs/dbraw/zinc/83/24/32/584832432.db2.gz QDHUNKIECCRWLO-AGIUHOORSA-N 1 1 295.383 -0.071 10 0 CBAEMO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000094996249 656062055 /nfs/dbraw/zinc/06/20/55/656062055.db2.gz XYMMQXSQMNJLTB-YUMQZZPRSA-N 1 1 257.290 -0.817 10 0 CBAEMO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000034588857 655999883 /nfs/dbraw/zinc/99/98/83/655999883.db2.gz PHLORFAGTXJTFY-WDEREUQCSA-N 1 1 293.323 -0.910 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000034463806 656000204 /nfs/dbraw/zinc/00/02/04/656000204.db2.gz ASERYNDPCCWQTG-CYBMUJFWSA-N 1 1 290.367 -0.467 10 0 CBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000037623012 656002233 /nfs/dbraw/zinc/00/22/33/656002233.db2.gz LOMGFCVKRGJYPH-JTQLQIEISA-N 1 1 293.323 -0.681 10 0 CBAEMO CN(C)c1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1 ZINC000037626505 656002938 /nfs/dbraw/zinc/00/29/38/656002938.db2.gz ALPSNPJKDNARGY-JTQLQIEISA-N 1 1 250.302 -0.106 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000037628050 656002964 /nfs/dbraw/zinc/00/29/64/656002964.db2.gz RWDNKGZBECDTSK-SNVBAGLBSA-N 1 1 277.328 -0.177 10 0 CBAEMO COc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037680551 656003111 /nfs/dbraw/zinc/00/31/11/656003111.db2.gz ZJSYZBLRSVTHNB-JTQLQIEISA-N 1 1 251.286 -0.486 10 0 CBAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000040861402 656006031 /nfs/dbraw/zinc/00/60/31/656006031.db2.gz SUYPYRKFDMFQHO-NEPJUHHUSA-N 1 1 289.401 -0.220 10 0 CBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)OCO2 ZINC000040854085 656006170 /nfs/dbraw/zinc/00/61/70/656006170.db2.gz OYFXFPBHIPMAMA-MRVPVSSYSA-N 1 1 265.269 -0.766 10 0 CBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cnc(N)nc1 ZINC000071193072 656041478 /nfs/dbraw/zinc/04/14/78/656041478.db2.gz JJBIGRATODKKNG-SECBINFHSA-N 1 1 285.373 -0.369 10 0 CBAEMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094996248 656061735 /nfs/dbraw/zinc/06/17/35/656061735.db2.gz XYMMQXSQMNJLTB-SFYZADRCSA-N 1 1 257.290 -0.817 10 0 CBAEMO COC(=O)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC000094996832 656061786 /nfs/dbraw/zinc/06/17/86/656061786.db2.gz ZYVZPWYAJZYPLL-BDAKNGLRSA-N 1 1 269.301 -0.721 10 0 CBAEMO COCC[N@@H+](CCC(=O)OC)C[C@@H]1CNC(=O)O1 ZINC000157083537 656075915 /nfs/dbraw/zinc/07/59/15/656075915.db2.gz GEOJUICOALRPMS-VIFPVBQESA-N 1 1 260.290 -0.394 10 0 CBAEMO CN1C(=O)CN(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000182283135 656092555 /nfs/dbraw/zinc/09/25/55/656092555.db2.gz UQIOMUBLCWHZBJ-SNVBAGLBSA-N 1 1 252.318 -0.382 10 0 CBAEMO COC(=O)[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1C ZINC000227826341 656108622 /nfs/dbraw/zinc/10/86/22/656108622.db2.gz ITQQTOREXCRXQB-VHSXEESVSA-N 1 1 255.318 -0.248 10 0 CBAEMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228699337 656110149 /nfs/dbraw/zinc/11/01/49/656110149.db2.gz CKNWIDYVZVETJI-BDAKNGLRSA-N 1 1 271.317 -0.427 10 0 CBAEMO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248445822 656119895 /nfs/dbraw/zinc/11/98/95/656119895.db2.gz WOORXCGSYTVVIG-NEPJUHHUSA-N 1 1 281.356 -0.255 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252692708 656123419 /nfs/dbraw/zinc/12/34/19/656123419.db2.gz NILNKDOJFFQYBT-RYUDHWBXSA-N 1 1 293.433 -0.042 10 0 CBAEMO CC(C)N(C)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252692708 656123420 /nfs/dbraw/zinc/12/34/20/656123420.db2.gz NILNKDOJFFQYBT-RYUDHWBXSA-N 1 1 293.433 -0.042 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[N@@H+](C)C1 ZINC000329070723 656149326 /nfs/dbraw/zinc/14/93/26/656149326.db2.gz YPOVLLGKEILQOB-WJTVCTBASA-N 1 1 268.357 -0.065 10 0 CBAEMO COC(=O)N(C)CCN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000700642785 656176594 /nfs/dbraw/zinc/17/65/94/656176594.db2.gz VRJLXEUSGSYOGF-ZJUUUORDSA-N 1 1 273.333 -0.480 10 0 CBAEMO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702419694 656180944 /nfs/dbraw/zinc/18/09/44/656180944.db2.gz WJNGITGBYSKNGT-AGIUHOORSA-N 1 1 268.405 -0.040 10 0 CBAEMO COC[C@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CNCCO1 ZINC000710755196 656201072 /nfs/dbraw/zinc/20/10/72/656201072.db2.gz MNTWVBWTNNOTQK-AAEUAGOBSA-N 1 1 271.361 -0.846 10 0 CBAEMO CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000710783632 656201283 /nfs/dbraw/zinc/20/12/83/656201283.db2.gz NJXFEWMROVUDIW-JSGCOSHPSA-N 1 1 285.388 -0.408 10 0 CBAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000710783632 656201287 /nfs/dbraw/zinc/20/12/87/656201287.db2.gz NJXFEWMROVUDIW-JSGCOSHPSA-N 1 1 285.388 -0.408 10 0 CBAEMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000907521944 656519894 /nfs/dbraw/zinc/51/98/94/656519894.db2.gz IINFNIKSAUREAI-SMDDNHRTSA-N 1 1 281.356 -0.822 10 0 CBAEMO C[C@H]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)[N@H+]1C ZINC000907859789 656600815 /nfs/dbraw/zinc/60/08/15/656600815.db2.gz LXTXDYYTZBMGJX-UWVGGRQHSA-N 1 1 277.390 -0.346 10 0 CBAEMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000908061147 656632720 /nfs/dbraw/zinc/63/27/20/656632720.db2.gz YWRWPJJVAVZLTG-ISTVAULSSA-N 1 1 283.372 -0.385 10 0 CBAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000908061147 656632724 /nfs/dbraw/zinc/63/27/24/656632724.db2.gz YWRWPJJVAVZLTG-ISTVAULSSA-N 1 1 283.372 -0.385 10 0 CBAEMO O=C(N1CCC[C@](O)(c2c[nH]nn2)C1)C12CC[NH+](CC1)C2 ZINC000908097832 656644488 /nfs/dbraw/zinc/64/44/88/656644488.db2.gz UYNUZRQSULDJCZ-CQSZACIVSA-N 1 1 291.355 -0.290 10 0 CBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909170857 656789639 /nfs/dbraw/zinc/78/96/39/656789639.db2.gz WKBWSGCIIOLTPG-WISYIIOYSA-N 1 1 264.329 -0.232 10 0 CBAEMO NC(=O)CCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000911418801 657037403 /nfs/dbraw/zinc/03/74/03/657037403.db2.gz UKHCWWCDUJMGOB-AXFHLTTASA-N 1 1 269.345 -0.644 10 0 CBAEMO COC(=O)/C=C(\C)C[N@@H+]1CC[C@@]2(C1)NC(=O)NC2=O ZINC000929998983 659192709 /nfs/dbraw/zinc/19/27/09/659192709.db2.gz GYRCMYGABJBCRO-ZCRIDZFUSA-N 1 1 267.285 -0.610 10 0 CBAEMO COC(=O)/C=C(\C)C[N@H+]1CC[C@@]2(C1)NC(=O)NC2=O ZINC000929998983 659192713 /nfs/dbraw/zinc/19/27/13/659192713.db2.gz GYRCMYGABJBCRO-ZCRIDZFUSA-N 1 1 267.285 -0.610 10 0 CBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000930398626 659276132 /nfs/dbraw/zinc/27/61/32/659276132.db2.gz XYDLVMQJDFFOHW-VOAKCMCISA-N 1 1 286.372 -0.560 10 0 CBAEMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000930773444 659339684 /nfs/dbraw/zinc/33/96/84/659339684.db2.gz DXYJLIPZHVVSIA-DMDPSCGWSA-N 1 1 274.361 -0.967 10 0 CBAEMO