smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999889 814928836 /nfs/dbraw/zinc/92/88/36/814928836.db2.gz HHAFJPFLFKVGGB-LBPRGKRZSA-N 1 3 294.399 -0.521 20 30 CBEDHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134426 812475655 /nfs/dbraw/zinc/47/56/55/812475655.db2.gz SPBWHKGSAZORPJ-RYUDHWBXSA-N 1 3 268.361 -0.156 20 30 CBEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290935 814237305 /nfs/dbraw/zinc/23/73/05/814237305.db2.gz FHQAUNRMQMSUBL-UHFFFAOYSA-N 1 3 296.415 -0.156 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O)CC1 ZINC001322088798 803857879 /nfs/dbraw/zinc/85/78/79/803857879.db2.gz OOJGJDZIAOYGDK-QWHCGFSZSA-N 1 3 281.400 -0.193 20 30 CBEDHO N#CCCN1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160483170 815628283 /nfs/dbraw/zinc/62/82/83/815628283.db2.gz FNSAONHTMVXQHC-CYBMUJFWSA-N 1 3 279.388 -0.629 20 30 CBEDHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NCC#N ZINC001152136350 815106560 /nfs/dbraw/zinc/10/65/60/815106560.db2.gz AFYHSMQPUUAEIY-TXEJJXNPSA-N 1 3 295.387 -0.795 20 30 CBEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NCC#N ZINC001152136350 815106563 /nfs/dbraw/zinc/10/65/63/815106563.db2.gz AFYHSMQPUUAEIY-TXEJJXNPSA-N 1 3 295.387 -0.795 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H](O)COC)CC1 ZINC001152323868 815115000 /nfs/dbraw/zinc/11/50/00/815115000.db2.gz FPTJWOKKALILND-AWEZNQCLSA-N 1 3 297.399 -0.955 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001152330710 815115083 /nfs/dbraw/zinc/11/50/83/815115083.db2.gz TUDYCLCXRKSTQT-ZDUSSCGKSA-N 1 3 294.399 -0.699 20 30 CBEDHO C=CCOCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987241 810985795 /nfs/dbraw/zinc/98/57/95/810985795.db2.gz WULYARUPHUABHG-KGLIPLIRSA-N 1 3 299.415 -0.308 20 30 CBEDHO CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NO ZINC001157304180 815421535 /nfs/dbraw/zinc/42/15/35/815421535.db2.gz UXBRWYRMUDZZTA-UWVGGRQHSA-N 1 3 274.365 -0.521 20 30 CBEDHO CCN1CCN(CC[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC001120482104 812973120 /nfs/dbraw/zinc/97/31/20/812973120.db2.gz WHQUGDGVWUWLME-OAHLLOKOSA-N 1 3 297.447 -0.580 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066355 813709072 /nfs/dbraw/zinc/70/90/72/813709072.db2.gz MEQFNSAOJKVYER-ZDUSSCGKSA-N 1 3 296.415 -0.133 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066355 813709078 /nfs/dbraw/zinc/70/90/78/813709078.db2.gz MEQFNSAOJKVYER-ZDUSSCGKSA-N 1 3 296.415 -0.133 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695525 813740891 /nfs/dbraw/zinc/74/08/91/813740891.db2.gz PKVIIBHIIAVSAZ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695525 813740900 /nfs/dbraw/zinc/74/09/00/813740900.db2.gz PKVIIBHIIAVSAZ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949980 813883181 /nfs/dbraw/zinc/88/31/81/813883181.db2.gz NBPMIHZQFGIGCM-STQMWFEESA-N 1 3 296.415 -0.584 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995303 814206790 /nfs/dbraw/zinc/20/67/90/814206790.db2.gz QXAXOBMIMJDFIG-GFCCVEGCSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286006 814235347 /nfs/dbraw/zinc/23/53/47/814235347.db2.gz SEFYKUYRBZSLGB-GFCCVEGCSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434317 814253021 /nfs/dbraw/zinc/25/30/21/814253021.db2.gz NBPMIHZQFGIGCM-CHWSQXEVSA-N 1 3 296.415 -0.584 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849630 814307545 /nfs/dbraw/zinc/30/75/45/814307545.db2.gz AYVHZEMGEYJXRX-STQMWFEESA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849630 814307554 /nfs/dbraw/zinc/30/75/54/814307554.db2.gz AYVHZEMGEYJXRX-STQMWFEESA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)C1=O ZINC001133966259 814330611 /nfs/dbraw/zinc/33/06/11/814330611.db2.gz ZVGNXUMUENZPNI-OLZOCXBDSA-N 1 3 296.415 -0.181 20 30 CBEDHO C=CCN1CC[C@H]([NH2+]CCNC(=O)CN(CC)CC)C1=O ZINC001135510654 814478765 /nfs/dbraw/zinc/47/87/65/814478765.db2.gz DQCWSDKDUDQNRJ-ZDUSSCGKSA-N 1 3 296.415 -0.179 20 30 CBEDHO CCN(CC)CC(=O)NCC[NH2+]CC#CCOC ZINC001135511700 814481662 /nfs/dbraw/zinc/48/16/62/814481662.db2.gz ZFOGHFPVTLIMRT-UHFFFAOYSA-N 1 3 255.362 -0.316 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711031 814843870 /nfs/dbraw/zinc/84/38/70/814843870.db2.gz NLQPLKJVNKQTQH-GFCCVEGCSA-N 1 3 284.404 -0.275 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711031 814843874 /nfs/dbraw/zinc/84/38/74/814843874.db2.gz NLQPLKJVNKQTQH-GFCCVEGCSA-N 1 3 284.404 -0.275 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900122 814923844 /nfs/dbraw/zinc/92/38/44/814923844.db2.gz HZVPPUNUYJRHGJ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900122 814923848 /nfs/dbraw/zinc/92/38/48/814923848.db2.gz HZVPPUNUYJRHGJ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCN1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160432446 815620899 /nfs/dbraw/zinc/62/08/99/815620899.db2.gz WHUAXHARIXTVHA-CYBMUJFWSA-N 1 3 266.389 -0.357 20 30 CBEDHO N#C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160640678 815648552 /nfs/dbraw/zinc/64/85/52/815648552.db2.gz LFWXMUUZNUMRMU-OUCADQQQSA-N 1 3 262.357 -0.052 20 30 CBEDHO N#C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160880521 815684224 /nfs/dbraw/zinc/68/42/24/815684224.db2.gz YMNSVFWKNYZOJV-NEPJUHHUSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160880521 815684229 /nfs/dbraw/zinc/68/42/29/815684229.db2.gz YMNSVFWKNYZOJV-NEPJUHHUSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160933723 815688910 /nfs/dbraw/zinc/68/89/10/815688910.db2.gz NQAHBWMWWJIRIQ-QWRGUYRKSA-N 1 3 252.318 -0.936 20 30 CBEDHO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001319575048 817221115 /nfs/dbraw/zinc/22/11/15/817221115.db2.gz SONUFDNMMJJYIE-ZDUSSCGKSA-N 1 3 296.415 -0.179 20 30 CBEDHO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001320233181 817300272 /nfs/dbraw/zinc/30/02/72/817300272.db2.gz GBQNMQPNZWPBJU-NEPJUHHUSA-N 1 3 257.378 -0.175 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668358 820012751 /nfs/dbraw/zinc/01/27/51/820012751.db2.gz ZSYJUTWNOXDBHZ-CYBMUJFWSA-N 1 3 294.399 -0.827 20 30 CBEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001281169015 828405782 /nfs/dbraw/zinc/40/57/82/828405782.db2.gz WLCLZAZWPIQMSI-OAHLLOKOSA-N 1 3 290.367 -0.081 20 30 CBEDHO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001284457850 828598839 /nfs/dbraw/zinc/59/88/39/828598839.db2.gz XXLKUTANLUNGNG-VXGBXAGGSA-N 1 3 257.378 -0.079 20 30 CBEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826227 824203745 /nfs/dbraw/zinc/20/37/45/824203745.db2.gz RKAHZALOZKCVAD-CHWSQXEVSA-N 1 3 285.388 -0.698 20 30 CBEDHO N#C[C@@H]1CNC[C@@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832281 824562050 /nfs/dbraw/zinc/56/20/50/824562050.db2.gz NNPWZUWUICBYJV-KVSVUVNWSA-N 1 3 251.330 -0.118 20 30 CBEDHO Cc1noc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1C#N ZINC001218503488 824573572 /nfs/dbraw/zinc/57/35/72/824573572.db2.gz NVELFYIUOPJRMF-SECBINFHSA-N 1 3 261.285 -0.398 20 30 CBEDHO C#Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccn1 ZINC001218519762 824581386 /nfs/dbraw/zinc/58/13/86/824581386.db2.gz DQNMJYSQXWMLLI-IAQYHMDHSA-N 1 3 270.336 -0.378 20 30 CBEDHO O=C(NC1=CC(=O)CCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219885269 824909509 /nfs/dbraw/zinc/90/95/09/824909509.db2.gz MKHGIVQLYVKMIG-QMTHXVAHSA-N 1 3 263.341 -0.061 20 30 CBEDHO N#CN=C(NC(=O)[C@@H](N)CCC[NH3+])c1ccncc1 ZINC001219972350 824926207 /nfs/dbraw/zinc/92/62/07/824926207.db2.gz OAICJQVCLSCQAF-JTQLQIEISA-N 1 3 260.301 -0.508 20 30 CBEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220043473 824941833 /nfs/dbraw/zinc/94/18/33/824941833.db2.gz STSLRBKUUBXHNY-LBPRGKRZSA-N 1 3 282.388 -0.488 20 30 CBEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220498436 825049559 /nfs/dbraw/zinc/04/95/59/825049559.db2.gz GRPNPPBVKQCVDD-MNOVXSKESA-N 1 3 294.355 -0.568 20 30 CBEDHO COC(=O)c1ccc(C(N)=NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)cc1 ZINC001220579110 825069606 /nfs/dbraw/zinc/06/96/06/825069606.db2.gz DYENXJLKSKKVQG-MNOVXSKESA-N 1 3 290.323 -0.606 20 30 CBEDHO COC(=O)c1ccc(C(=N)NC(O)=C2C[C@@H]([NH3+])CN2)cc1 ZINC001220579110 825069617 /nfs/dbraw/zinc/06/96/17/825069617.db2.gz DYENXJLKSKKVQG-MNOVXSKESA-N 1 3 290.323 -0.606 20 30 CBEDHO C=C[C@@H]1C[C@]1(N)C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827005 825107341 /nfs/dbraw/zinc/10/73/41/825107341.db2.gz FBPWIISYAQZOHQ-AMIZOPFISA-N 1 3 265.313 -0.574 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220868668 825117690 /nfs/dbraw/zinc/11/76/90/825117690.db2.gz OEIVNKHMTDGTSJ-JLNYLFASSA-N 1 3 278.400 -0.025 20 30 CBEDHO C#C[C@](C)(N)C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006260 825134626 /nfs/dbraw/zinc/13/46/26/825134626.db2.gz DFKPXSXJRNFNKQ-HUBLWGQQSA-N 1 3 294.399 -0.558 20 30 CBEDHO N#CC1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2ccccc2C1 ZINC001221367329 825176476 /nfs/dbraw/zinc/17/64/76/825176476.db2.gz PQCKFRQCHFFHHT-AWEZNQCLSA-N 1 3 296.374 -0.027 20 30 CBEDHO C[C@H](C#N)S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239070 825549106 /nfs/dbraw/zinc/54/91/06/825549106.db2.gz BMNMHFUPUWCABL-GHMZBOCLSA-N 1 3 286.401 -0.308 20 30 CBEDHO C=CCOC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007139 825620513 /nfs/dbraw/zinc/62/05/13/825620513.db2.gz JCGOIYNUJJWGGC-MNOVXSKESA-N 1 3 259.350 -0.878 20 30 CBEDHO C=CCOC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246028098 825625657 /nfs/dbraw/zinc/62/56/57/825625657.db2.gz ZYAJICSCFWORIS-OLZOCXBDSA-N 1 3 258.362 -0.274 20 30 CBEDHO C=CCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246028098 825625661 /nfs/dbraw/zinc/62/56/61/825625661.db2.gz ZYAJICSCFWORIS-OLZOCXBDSA-N 1 3 258.362 -0.274 20 30 CBEDHO C=CCOC[C@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246028098 825625665 /nfs/dbraw/zinc/62/56/65/825625665.db2.gz ZYAJICSCFWORIS-OLZOCXBDSA-N 1 3 258.362 -0.274 20 30 CBEDHO N#C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(CN)C2)CCN1 ZINC001246555037 825684110 /nfs/dbraw/zinc/68/41/10/825684110.db2.gz ARFGNMCIUOKEGP-RWMBFGLXSA-N 1 3 252.362 -0.194 20 30 CBEDHO N#C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(CN)C2)CCN1 ZINC001246555037 825684112 /nfs/dbraw/zinc/68/41/12/825684112.db2.gz ARFGNMCIUOKEGP-RWMBFGLXSA-N 1 3 252.362 -0.194 20 30 CBEDHO C#CCNCC(=O)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001263201886 826753245 /nfs/dbraw/zinc/75/32/45/826753245.db2.gz NMHPVELDIHSQTJ-CQSZACIVSA-N 1 3 273.340 -0.794 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001265870165 826932235 /nfs/dbraw/zinc/93/22/35/826932235.db2.gz KMXLZYJCKNGHSR-NEPJUHHUSA-N 1 3 294.399 -0.700 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265895467 826935610 /nfs/dbraw/zinc/93/56/10/826935610.db2.gz LZWBHMCBCPTCEB-STQMWFEESA-N 1 3 294.399 -0.427 20 30 CBEDHO CN(CCNCC(=O)NCC#N)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267455690 827174300 /nfs/dbraw/zinc/17/43/00/827174300.db2.gz BZCURJUWKHCGKU-GFCCVEGCSA-N 1 3 295.387 -0.984 20 30 CBEDHO CN(CCNCC(=O)NCC#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267455690 827174304 /nfs/dbraw/zinc/17/43/04/827174304.db2.gz BZCURJUWKHCGKU-GFCCVEGCSA-N 1 3 295.387 -0.984 20 30 CBEDHO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001268673863 827399867 /nfs/dbraw/zinc/39/98/67/827399867.db2.gz LOZCMMUTKQHQDS-GFCCVEGCSA-N 1 3 282.388 -0.830 20 30 CBEDHO CC#CCNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272306988 827779267 /nfs/dbraw/zinc/77/92/67/827779267.db2.gz HOAWFEYRGOTVOL-ZDUSSCGKSA-N 1 3 267.373 -0.628 20 30 CBEDHO CC#CCNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272306988 827779271 /nfs/dbraw/zinc/77/92/71/827779271.db2.gz HOAWFEYRGOTVOL-ZDUSSCGKSA-N 1 3 267.373 -0.628 20 30 CBEDHO CC#CC[NH2+]CCN(CCO)C(=O)CN(C)C(C)C ZINC001272315870 827779891 /nfs/dbraw/zinc/77/98/91/827779891.db2.gz XVPZJXORBONHPZ-UHFFFAOYSA-N 1 3 269.389 -0.240 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276174743 828136769 /nfs/dbraw/zinc/13/67/69/828136769.db2.gz WEZSJJFXVZIGEG-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396657 828268419 /nfs/dbraw/zinc/26/84/19/828268419.db2.gz BPTGHEYDKUOADC-NWDGAFQWSA-N 1 3 295.387 -0.843 20 30 CBEDHO C#CCNC(=O)CC[NH2+]CCCN1CCN(CC)CC1 ZINC001335383896 888520604 /nfs/dbraw/zinc/52/06/04/888520604.db2.gz JEVPKPKGBBQXEJ-UHFFFAOYSA-N 1 3 280.416 -0.257 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001343425729 889907269 /nfs/dbraw/zinc/90/72/69/889907269.db2.gz VPJNBTJGFMGKIZ-WCQYABFASA-N 1 3 269.389 -0.031 20 30 CBEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278821686 884820345 /nfs/dbraw/zinc/82/03/45/884820345.db2.gz MHFWSPQKAKBCAL-TZMCWYRMSA-N 1 3 267.373 -0.323 20 30 CBEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278821686 884820356 /nfs/dbraw/zinc/82/03/56/884820356.db2.gz MHFWSPQKAKBCAL-TZMCWYRMSA-N 1 3 267.373 -0.323 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979172 885209699 /nfs/dbraw/zinc/20/96/99/885209699.db2.gz NSUPYALRQTWLFL-CABCVRRESA-N 1 3 291.395 -0.222 20 30 CBEDHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)CCO1 ZINC001327131433 885268488 /nfs/dbraw/zinc/26/84/88/885268488.db2.gz RHDOEUFFDCWYBG-SDDRHHMPSA-N 1 3 268.361 -0.028 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001331630781 886873219 /nfs/dbraw/zinc/87/32/19/886873219.db2.gz JQFCRXRMFYVAES-OLZOCXBDSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331630781 886873241 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20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849618 814308398 /nfs/dbraw/zinc/30/83/98/814308398.db2.gz AQCSTRJQVWHVEF-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO COCC#CCNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869124 814314300 /nfs/dbraw/zinc/31/43/00/814314300.db2.gz BIDGCDRCJRMJEJ-STQMWFEESA-N 1 3 267.373 -0.460 20 30 CBEDHO COCC#CCNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869124 814314310 /nfs/dbraw/zinc/31/43/10/814314310.db2.gz BIDGCDRCJRMJEJ-STQMWFEESA-N 1 3 267.373 -0.460 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133967796 814331411 /nfs/dbraw/zinc/33/14/11/814331411.db2.gz DHOJTZDXSDQTPX-NEPJUHHUSA-N 1 3 284.404 -0.277 20 30 CBEDHO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)C1=O ZINC001133966260 814331485 /nfs/dbraw/zinc/33/14/85/814331485.db2.gz ZVGNXUMUENZPNI-STQMWFEESA-N 1 3 296.415 -0.181 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421444 815619069 /nfs/dbraw/zinc/61/90/69/815619069.db2.gz 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ZINC001168755665 820176628 /nfs/dbraw/zinc/17/66/28/820176628.db2.gz OYTHQGPKYFWKPD-UHFFFAOYSA-N 1 3 283.376 -0.936 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769625 820370689 /nfs/dbraw/zinc/37/06/89/820370689.db2.gz AWQPRNJSEJCUHG-CYBMUJFWSA-N 1 3 296.415 -0.438 20 30 CBEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC(=O)NC)CC1 ZINC001176926111 820479829 /nfs/dbraw/zinc/47/98/29/820479829.db2.gz GWIJGKDNORQLFO-UHFFFAOYSA-N 1 3 294.399 -0.827 20 30 CBEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400553 821127237 /nfs/dbraw/zinc/12/72/37/821127237.db2.gz CLBDCXLKIQZPHU-CHWSQXEVSA-N 1 3 296.415 -0.181 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186809194 821199189 /nfs/dbraw/zinc/19/91/89/821199189.db2.gz XSVJAHONDGZPLA-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186809194 821199192 /nfs/dbraw/zinc/19/91/92/821199192.db2.gz XSVJAHONDGZPLA-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825331 822298796 /nfs/dbraw/zinc/29/87/96/822298796.db2.gz KRZSEDJUCDPLFM-ZIAGYGMSSA-N 1 3 279.384 -0.222 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825331 822298805 /nfs/dbraw/zinc/29/88/05/822298805.db2.gz KRZSEDJUCDPLFM-ZIAGYGMSSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCO)CC1 ZINC001282241383 828439467 /nfs/dbraw/zinc/43/94/67/828439467.db2.gz KNXKDSOBLWILTD-QWHCGFSZSA-N 1 3 281.400 -0.193 20 30 CBEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283421224 828518670 /nfs/dbraw/zinc/51/86/70/828518670.db2.gz HVQMGUDITXUBRV-CYBMUJFWSA-N 1 3 267.373 -0.364 20 30 CBEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283421224 828518672 /nfs/dbraw/zinc/51/86/72/828518672.db2.gz HVQMGUDITXUBRV-CYBMUJFWSA-N 1 3 267.373 -0.364 20 30 CBEDHO C#Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218521308 824580698 /nfs/dbraw/zinc/58/06/98/824580698.db2.gz URTOCSSZJVMAAA-LBPRGKRZSA-N 1 3 256.309 -0.768 20 30 CBEDHO Cn1cc(NC(=O)[C@@H](N)CCCC[NH3+])c(C#N)n1 ZINC001218668687 824619747 /nfs/dbraw/zinc/61/97/47/824619747.db2.gz SFXORZRVWVPVAI-QMMMGPOBSA-N 1 3 250.306 -0.313 20 30 CBEDHO Cn1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C#N)n1 ZINC001218667407 824620148 /nfs/dbraw/zinc/62/01/48/824620148.db2.gz FUBBFKRBIURNGD-NSHDSACASA-N 1 3 262.317 -0.443 20 30 CBEDHO C=C(C)C(=O)OCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220124887 824959662 /nfs/dbraw/zinc/95/96/62/824959662.db2.gz OIEIQRXQTIMTQA-VIFPVBQESA-N 1 3 275.374 -0.759 20 30 CBEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220498440 825049704 /nfs/dbraw/zinc/04/97/04/825049704.db2.gz GRPNPPBVKQCVDD-WDEREUQCSA-N 1 3 294.355 -0.568 20 30 CBEDHO CCOC(=O)[C@H](C#N)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220498843 825050613 /nfs/dbraw/zinc/05/06/13/825050613.db2.gz LWEXYXPLTUJAOO-IUCAKERBSA-N 1 3 256.306 -0.986 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC001220868368 825114794 /nfs/dbraw/zinc/11/47/94/825114794.db2.gz HFWFOEQARXGWFD-ZDUSSCGKSA-N 1 3 266.389 -0.342 20 30 CBEDHO C#CCCC1(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)N=N1 ZINC001221411635 825187823 /nfs/dbraw/zinc/18/78/23/825187823.db2.gz ZVAKXDWUMFLJAU-LLVKDONJSA-N 1 3 275.356 -0.123 20 30 CBEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001246000122 825619386 /nfs/dbraw/zinc/61/93/86/825619386.db2.gz KQVYMTOBVQYTRW-ZFWWWQNUSA-N 1 3 299.415 -0.083 20 30 CBEDHO N#C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1 ZINC001246086515 825634975 /nfs/dbraw/zinc/63/49/75/825634975.db2.gz CXLZDESSFTWVGF-NOOOWODRSA-N 1 3 256.325 -0.717 20 30 CBEDHO C#CCOC[C@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001251847217 825794149 /nfs/dbraw/zinc/79/41/49/825794149.db2.gz BIXSSYQRMDCAQC-MRXNPFEDSA-N 1 3 295.427 -0.291 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001265567318 826904669 /nfs/dbraw/zinc/90/46/69/826904669.db2.gz XPNDLFKJTQNRMJ-FRRDWIJNSA-N 1 3 296.415 -0.134 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001265566998 826905349 /nfs/dbraw/zinc/90/53/49/826905349.db2.gz RSSOECGYPRTXQK-XQQFMLRXSA-N 1 3 294.399 -0.687 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001265567319 826905497 /nfs/dbraw/zinc/90/54/97/826905497.db2.gz XPNDLFKJTQNRMJ-XQQFMLRXSA-N 1 3 296.415 -0.134 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266515365 827016043 /nfs/dbraw/zinc/01/60/43/827016043.db2.gz WOMKPGYNNJTFBC-QWHCGFSZSA-N 1 3 292.383 -0.980 20 30 CBEDHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001266944683 827092760 /nfs/dbraw/zinc/09/27/60/827092760.db2.gz PACLHAXXHGXAAA-LLVKDONJSA-N 1 3 295.387 -0.795 20 30 CBEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)CC1 ZINC001267116574 827113707 /nfs/dbraw/zinc/11/37/07/827113707.db2.gz DSXHZYXFKBCMAH-GFCCVEGCSA-N 1 3 294.399 -0.747 20 30 CBEDHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001267116575 827114112 /nfs/dbraw/zinc/11/41/12/827114112.db2.gz DSXHZYXFKBCMAH-LBPRGKRZSA-N 1 3 294.399 -0.747 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CCC)CC1 ZINC001268335467 827307374 /nfs/dbraw/zinc/30/73/74/827307374.db2.gz UQDZQOBPJBDZIG-CQSZACIVSA-N 1 3 281.400 -0.192 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC)CC1 ZINC001268334616 827307988 /nfs/dbraw/zinc/30/79/88/827307988.db2.gz KRMAHWAJSUDQOK-ZDUSSCGKSA-N 1 3 267.373 -0.582 20 30 CBEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271211199 827677511 /nfs/dbraw/zinc/67/75/11/827677511.db2.gz WGZFHHNCEGAUIW-ZFWWWQNUSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271211199 827677513 /nfs/dbraw/zinc/67/75/13/827677513.db2.gz WGZFHHNCEGAUIW-ZFWWWQNUSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001278826395 828292952 /nfs/dbraw/zinc/29/29/52/828292952.db2.gz FMMJCWLPTBBDEW-VXGBXAGGSA-N 1 3 255.362 -0.631 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)N(C)C ZINC001278826394 828293634 /nfs/dbraw/zinc/29/36/34/828293634.db2.gz FMMJCWLPTBBDEW-RYUDHWBXSA-N 1 3 255.362 -0.631 20 30 CBEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327857070 885503256 /nfs/dbraw/zinc/50/32/56/885503256.db2.gz RJBXXHVVDJJAME-MNOVXSKESA-N 1 3 254.334 -0.498 20 30 CBEDHO C=CCn1cc(CNC[C@H](O)C[NH+]2CCN(C)CC2)nn1 ZINC001327992080 885549960 /nfs/dbraw/zinc/54/99/60/885549960.db2.gz MDPCQXGGXBJXPT-AWEZNQCLSA-N 1 3 294.403 -0.838 20 30 CBEDHO C[NH2+]CCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001330865354 886603275 /nfs/dbraw/zinc/60/32/75/886603275.db2.gz BBRADADKEWHKMJ-AKJDGMEZSA-N 1 3 250.346 -0.149 20 30 CBEDHO C[NH2+]CCCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001330865355 886604500 /nfs/dbraw/zinc/60/45/00/886604500.db2.gz BBRADADKEWHKMJ-QWKFWESOSA-N 1 3 250.346 -0.149 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001331053150 886659457 /nfs/dbraw/zinc/65/94/57/886659457.db2.gz MJEQKZZDHMSTAA-SECBINFHSA-N 1 3 261.753 -0.232 20 30 CBEDHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001331633476 886875542 /nfs/dbraw/zinc/87/55/42/886875542.db2.gz WMRKFDUHHSGFDZ-NWDGAFQWSA-N 1 3 295.387 -0.986 20 30 CBEDHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001331633476 886875557 /nfs/dbraw/zinc/87/55/57/886875557.db2.gz WMRKFDUHHSGFDZ-NWDGAFQWSA-N 1 3 295.387 -0.986 20 30 CBEDHO N#Cc1ncn(CC[NH2+]C[C@H](O)CN2CCCC2)n1 ZINC001331753221 886954994 /nfs/dbraw/zinc/95/49/94/886954994.db2.gz CAMSGTMTOYVGGG-NSHDSACASA-N 1 3 264.333 -0.804 20 30 CBEDHO C[C@@H](C[NH3+])CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001331968418 887068858 /nfs/dbraw/zinc/06/88/58/887068858.db2.gz IIHHWAIPIOIKHK-MSLYCWSTSA-N 1 3 250.346 -0.163 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333179126 887555747 /nfs/dbraw/zinc/55/57/47/887555747.db2.gz SCELPFASJNFNIC-NSHDSACASA-N 1 3 282.388 -0.394 20 30 CBEDHO CN(CCC[NH3+])C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001333632012 887726610 /nfs/dbraw/zinc/72/66/10/887726610.db2.gz VVYGCASPNKFUPX-QWKFWESOSA-N 1 3 250.346 -0.067 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001346236506 890247102 /nfs/dbraw/zinc/24/71/02/890247102.db2.gz HIGYDRHKCOPAFY-OLZOCXBDSA-N 1 3 256.346 -0.957 20 30 CBEDHO C[NH+](C)C[C@@](C)(O)CNC[C@H](O)CC1(C#N)CC1 ZINC001353325432 891404058 /nfs/dbraw/zinc/40/40/58/891404058.db2.gz AYFPXBNPOMXCOT-NEPJUHHUSA-N 1 3 255.362 -0.057 20 30 CBEDHO C[NH+](C)C[C@](C)(O)CNC[C@@H](O)CC1(C#N)CC1 ZINC001353325455 891405455 /nfs/dbraw/zinc/40/54/55/891405455.db2.gz AYFPXBNPOMXCOT-NWDGAFQWSA-N 1 3 255.362 -0.057 20 30 CBEDHO C=CCCC[C@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001353918702 891487568 /nfs/dbraw/zinc/48/75/68/891487568.db2.gz SXCLMCRMOSAIDT-NSHDSACASA-N 1 3 255.362 -0.018 20 30 CBEDHO C#CCNCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001357404909 891886958 /nfs/dbraw/zinc/88/69/58/891886958.db2.gz PUXWKFBTBHWWOF-ZDUSSCGKSA-N 1 3 278.400 -0.506 20 30 CBEDHO C#CCNCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001357404909 891886960 /nfs/dbraw/zinc/88/69/60/891886960.db2.gz PUXWKFBTBHWWOF-ZDUSSCGKSA-N 1 3 278.400 -0.506 20 30 CBEDHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC#N ZINC001480530628 916458832 /nfs/dbraw/zinc/45/88/32/916458832.db2.gz LCKXFVRMXKCRKW-LLVKDONJSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571576 916477230 /nfs/dbraw/zinc/47/72/30/916477230.db2.gz IVJCFLAYMAVXBQ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480571576 916477240 /nfs/dbraw/zinc/47/72/40/916477240.db2.gz IVJCFLAYMAVXBQ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001482763924 917263894 /nfs/dbraw/zinc/26/38/94/917263894.db2.gz GBQNMQPNZWPBJU-NWDGAFQWSA-N 1 3 257.378 -0.175 20 30 CBEDHO C=CCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485994574 918290801 /nfs/dbraw/zinc/29/08/01/918290801.db2.gz BMOINIMJYFZMIZ-IJLUTSLNSA-N 1 3 255.362 -0.421 20 30 CBEDHO C=CCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485994574 918290815 /nfs/dbraw/zinc/29/08/15/918290815.db2.gz BMOINIMJYFZMIZ-IJLUTSLNSA-N 1 3 255.362 -0.421 20 30 CBEDHO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](CC)N(C)C ZINC001486052474 918347066 /nfs/dbraw/zinc/34/70/66/918347066.db2.gz IJKCGROOHQBMDS-RYUDHWBXSA-N 1 3 255.362 -0.583 20 30 CBEDHO C=CCN1CC[C@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568733 919208117 /nfs/dbraw/zinc/20/81/17/919208117.db2.gz MKXJOJMHLPOXTC-STQMWFEESA-N 1 3 296.415 -0.181 20 30 CBEDHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001491637120 919237951 /nfs/dbraw/zinc/23/79/51/919237951.db2.gz IHTNZVVENFKNOF-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001491637120 919237967 /nfs/dbraw/zinc/23/79/67/919237967.db2.gz IHTNZVVENFKNOF-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001497046251 920229518 /nfs/dbraw/zinc/22/95/18/920229518.db2.gz IBYUUKHWKQRXOH-CHWSQXEVSA-N 1 3 269.389 -0.337 20 30 CBEDHO C=CCN1CC[C@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498106809 920480771 /nfs/dbraw/zinc/48/07/71/920480771.db2.gz WQTBOKSSNCFJBO-STQMWFEESA-N 1 3 296.415 -0.181 20 30 CBEDHO C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180341 351579950 /nfs/dbraw/zinc/57/99/50/351579950.db2.gz FNRPILSJEYCODQ-NEPJUHHUSA-N 1 3 282.388 -0.536 20 30 CBEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424338206 354222094 /nfs/dbraw/zinc/22/20/94/354222094.db2.gz UDTPJXIHLVXWPQ-NXEZZACHSA-N 1 3 254.334 -0.142 20 30 CBEDHO CN1CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C[NH3+])C1 ZINC000594426632 355247679 /nfs/dbraw/zinc/24/76/79/355247679.db2.gz QBTIUJVIKHXYSK-VXGBXAGGSA-N 1 3 267.377 -0.501 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000594424398 355247740 /nfs/dbraw/zinc/24/77/40/355247740.db2.gz CVYBJLMLQATKRJ-ZDUSSCGKSA-N 1 3 281.404 -0.191 20 30 CBEDHO C=CC[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000595968942 355331100 /nfs/dbraw/zinc/33/11/00/355331100.db2.gz AHEVIOGHJLPNHT-LALPHHSUSA-N 1 3 292.383 -0.545 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011835 220247627 /nfs/dbraw/zinc/24/76/27/220247627.db2.gz UJMLPTQVGAPWKU-RYUDHWBXSA-N 1 3 270.377 -0.210 20 30 CBEDHO CN1CC[C@@](O)(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262312147 220249895 /nfs/dbraw/zinc/24/98/95/220249895.db2.gz PYSIAKPMXIZEJG-CMPLNLGQSA-N 1 3 256.350 -0.864 20 30 CBEDHO CN1CC[C@@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312151 220250166 /nfs/dbraw/zinc/25/01/66/220250166.db2.gz PYSIAKPMXIZEJG-ZYHUDNBSSA-N 1 3 256.350 -0.864 20 30 CBEDHO CN1CC[NH+]=C1NCC(=O)NCCN1CCCCCC1 ZINC000262656643 220255480 /nfs/dbraw/zinc/25/54/80/220255480.db2.gz UQHPZKXWESLOJX-UHFFFAOYSA-N 1 3 281.404 -0.130 20 30 CBEDHO CCOCCCNC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000303886673 220325515 /nfs/dbraw/zinc/32/55/15/220325515.db2.gz NVVXWGIRCCLICX-UHFFFAOYSA-N 1 3 285.436 -0.045 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653117533 420118752 /nfs/dbraw/zinc/11/87/52/420118752.db2.gz OGQJEEKQXCTKQZ-WFASDCNBSA-N 1 3 279.384 -0.011 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262728028 276371206 /nfs/dbraw/zinc/37/12/06/276371206.db2.gz HPNUVACYOXJBAB-YRGRVCCFSA-N 1 3 284.404 -0.085 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN2CCN1CC2 ZINC000262758928 276378060 /nfs/dbraw/zinc/37/80/60/276378060.db2.gz FFZOBYVJSJSYBX-UONOGXRCSA-N 1 3 294.447 -0.625 20 30 CBEDHO CNC(=O)CNC(=[NH+]C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262427195 277749330 /nfs/dbraw/zinc/74/93/30/277749330.db2.gz CZLBILIWSFMZRT-GFCCVEGCSA-N 1 3 281.404 -0.132 20 30 CBEDHO C#CCN(C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000491384884 332202044 /nfs/dbraw/zinc/20/20/44/332202044.db2.gz PXYZBUBHPAXOLB-LBPRGKRZSA-N 1 3 252.362 -0.022 20 30 CBEDHO C=CCN1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581776890 336145665 /nfs/dbraw/zinc/14/56/65/336145665.db2.gz CEGOOLDLZDHAPY-AWEZNQCLSA-N 1 3 295.431 -0.079 20 30 CBEDHO NC(=[NH2+])N=NC1CCN(CCN2CCOCC2)CC1 ZINC000731559512 582153162 /nfs/dbraw/zinc/15/31/62/582153162.db2.gz GOWGVBGCWAIRFB-UHFFFAOYSA-N 1 3 268.365 -0.747 20 30 CBEDHO C#CCNC(=O)CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000819054695 582525547 /nfs/dbraw/zinc/52/55/47/582525547.db2.gz RXJTVZDQOHKGQV-AWEZNQCLSA-N 1 3 292.427 -0.116 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000841909792 583176439 /nfs/dbraw/zinc/17/64/39/583176439.db2.gz HUOXVUSHCGTTBL-STQMWFEESA-N 1 3 282.388 -0.301 20 30 CBEDHO CN1CC[NH+]=C1NCCCCN1CCN(C)CC1 ZINC000848989176 583464449 /nfs/dbraw/zinc/46/44/49/583464449.db2.gz CUZUQNWBKILASE-UHFFFAOYSA-N 1 3 253.394 -0.095 20 30 CBEDHO C[C@H](CNC1=[NH+]C[C@H](C)N1)CN1CCN(C)CC1 ZINC000848994714 583465501 /nfs/dbraw/zinc/46/55/01/583465501.db2.gz YIZFJCJKVVWVMV-NEPJUHHUSA-N 1 3 253.394 -0.193 20 30 CBEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC1=[NH+]CCN1C ZINC000849001313 583466411 /nfs/dbraw/zinc/46/64/11/583466411.db2.gz PELNSEUUBJGMFW-LBPRGKRZSA-N 1 3 281.404 -0.180 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028014 583469490 /nfs/dbraw/zinc/46/94/90/583469490.db2.gz WWTKQBGWOOSJCA-JTQLQIEISA-N 1 3 266.349 -0.776 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000852863794 583563150 /nfs/dbraw/zinc/56/31/50/583563150.db2.gz IPCMKQIRNRFURB-LSDHHAIUSA-N 1 3 291.395 -0.031 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000852863792 583563261 /nfs/dbraw/zinc/56/32/61/583563261.db2.gz IPCMKQIRNRFURB-GJZGRUSLSA-N 1 3 291.395 -0.031 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502870 584129768 /nfs/dbraw/zinc/12/97/68/584129768.db2.gz PZRSXSPGWLIXKY-LLVKDONJSA-N 1 3 274.796 -0.132 20 30 CBEDHO CNC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000303387466 656138708 /nfs/dbraw/zinc/13/87/08/656138708.db2.gz WSVDMMPKWNLMMY-JTQLQIEISA-N 1 3 255.366 -0.537 20 30 CBEDHO C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000303371363 656138941 /nfs/dbraw/zinc/13/89/41/656138941.db2.gz KXKZDAZVTUCENA-UONOGXRCSA-N 1 3 297.447 -0.047 20 30 CBEDHO CCCNC(=O)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303775080 656139315 /nfs/dbraw/zinc/13/93/15/656139315.db2.gz GPGTUFQMGMDNMR-NSHDSACASA-N 1 3 269.393 -0.099 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303792187 656139443 /nfs/dbraw/zinc/13/94/43/656139443.db2.gz YFSBBGPGMUOJLG-LLVKDONJSA-N 1 3 267.377 -0.346 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797471 656141255 /nfs/dbraw/zinc/14/12/55/656141255.db2.gz GEBMOGZAOPURHO-GFCCVEGCSA-N 1 3 281.404 -0.099 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001016337651 657694377 /nfs/dbraw/zinc/69/43/77/657694377.db2.gz SOQGKEFHSOVPAW-UKRRQHHQSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001016337651 657694385 /nfs/dbraw/zinc/69/43/85/657694385.db2.gz SOQGKEFHSOVPAW-UKRRQHHQSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001021090266 658151960 /nfs/dbraw/zinc/15/19/60/658151960.db2.gz QYMGFCGSLAZRBB-HDJSIYSDSA-N 1 3 279.384 -0.439 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022451920 791015273 /nfs/dbraw/zinc/01/52/73/791015273.db2.gz HJHKTZIGBQXSQX-VAVUMJPSSA-N 1 3 289.379 -0.280 20 30 CBEDHO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001077685151 805768197 /nfs/dbraw/zinc/76/81/97/805768197.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001077685151 805768204 /nfs/dbraw/zinc/76/82/04/805768204.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 1 3 293.411 -0.097 20 30 CBEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012036 805823054 /nfs/dbraw/zinc/82/30/54/805823054.db2.gz RWARWPUWNYWZOT-CHWSQXEVSA-N 1 3 279.384 -0.180 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291506 814238346 /nfs/dbraw/zinc/23/83/46/814238346.db2.gz SLPWGQLFEAORLK-NSHDSACASA-N 1 3 270.377 -0.665 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148570344 814949616 /nfs/dbraw/zinc/94/96/16/814949616.db2.gz BCIJXBDZDBATDK-UHFFFAOYSA-N 1 3 282.388 -0.827 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148570344 814949621 /nfs/dbraw/zinc/94/96/21/814949621.db2.gz BCIJXBDZDBATDK-UHFFFAOYSA-N 1 3 282.388 -0.827 20 30 CBEDHO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001321652263 803796506 /nfs/dbraw/zinc/79/65/06/803796506.db2.gz GBFZPBNKFTUYMA-NEPJUHHUSA-N 1 3 282.388 -0.830 20 30 CBEDHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NCC#N ZINC001152136351 815106609 /nfs/dbraw/zinc/10/66/09/815106609.db2.gz AFYHSMQPUUAEIY-VXGBXAGGSA-N 1 3 295.387 -0.795 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145905 815108512 /nfs/dbraw/zinc/10/85/12/815108512.db2.gz FYCMDKNMVGSJQY-CHWSQXEVSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCO)CC1 ZINC001152330809 815115681 /nfs/dbraw/zinc/11/56/81/815115681.db2.gz VUALBDRVEHBNOE-UHFFFAOYSA-N 1 3 253.346 -0.970 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001086558437 810280739 /nfs/dbraw/zinc/28/07/39/810280739.db2.gz PNLMLCXAPAGFHB-CTYIDZIISA-N 1 3 293.411 -0.192 20 30 CBEDHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCNC[C@H]1C#N ZINC001157981676 815494187 /nfs/dbraw/zinc/49/41/87/815494187.db2.gz GIWAXKJBKIIFEL-NEPJUHHUSA-N 1 3 267.377 -0.630 20 30 CBEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118200531 812493671 /nfs/dbraw/zinc/49/36/71/812493671.db2.gz FDONNWSQLNEUAJ-OLZOCXBDSA-N 1 3 279.388 -0.486 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660339 813741961 /nfs/dbraw/zinc/74/19/61/813741961.db2.gz WOWRVNDLXTYVFJ-YNEHKIRRSA-N 1 3 296.415 -0.277 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660339 813741963 /nfs/dbraw/zinc/74/19/63/813741963.db2.gz WOWRVNDLXTYVFJ-YNEHKIRRSA-N 1 3 296.415 -0.277 20 30 CBEDHO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364354 813840156 /nfs/dbraw/zinc/84/01/56/813840156.db2.gz SZHPSIMHBWTNJB-LBPRGKRZSA-N 1 3 296.415 -0.133 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435836 813842529 /nfs/dbraw/zinc/84/25/29/813842529.db2.gz JQOUUMXFBOCVRS-ZDUSSCGKSA-N 1 3 282.388 -0.665 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535500 813849350 /nfs/dbraw/zinc/84/93/50/813849350.db2.gz VHJBNQISVSUOLC-GFCCVEGCSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994827 814205895 /nfs/dbraw/zinc/20/58/95/814205895.db2.gz CZUANYCCUDMUGJ-GFCCVEGCSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831014 814302614 /nfs/dbraw/zinc/30/26/14/814302614.db2.gz GNMDZTIAAYGWOV-GFCCVEGCSA-N 1 3 282.388 -0.521 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831014 814302622 /nfs/dbraw/zinc/30/26/22/814302622.db2.gz GNMDZTIAAYGWOV-GFCCVEGCSA-N 1 3 282.388 -0.521 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849627 814306822 /nfs/dbraw/zinc/30/68/22/814306822.db2.gz AYVHZEMGEYJXRX-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849627 814306832 /nfs/dbraw/zinc/30/68/32/814306832.db2.gz AYVHZEMGEYJXRX-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849629 814308108 /nfs/dbraw/zinc/30/81/08/814308108.db2.gz AYVHZEMGEYJXRX-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849629 814308116 /nfs/dbraw/zinc/30/81/16/814308116.db2.gz AYVHZEMGEYJXRX-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849620 814309293 /nfs/dbraw/zinc/30/92/93/814309293.db2.gz AQCSTRJQVWHVEF-STQMWFEESA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849620 814309298 /nfs/dbraw/zinc/30/92/98/814309298.db2.gz AQCSTRJQVWHVEF-STQMWFEESA-N 1 3 296.415 -0.275 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869123 814313429 /nfs/dbraw/zinc/31/34/29/814313429.db2.gz BIDGCDRCJRMJEJ-QWHCGFSZSA-N 1 3 267.373 -0.460 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869123 814313437 /nfs/dbraw/zinc/31/34/37/814313437.db2.gz BIDGCDRCJRMJEJ-QWHCGFSZSA-N 1 3 267.373 -0.460 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876950 814921174 /nfs/dbraw/zinc/92/11/74/814921174.db2.gz AELUGJOJNVFQQY-GFCCVEGCSA-N 1 3 282.388 -0.664 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876950 814921179 /nfs/dbraw/zinc/92/11/79/814921179.db2.gz AELUGJOJNVFQQY-GFCCVEGCSA-N 1 3 282.388 -0.664 20 30 CBEDHO CCCCN(CC#N)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160730362 815665705 /nfs/dbraw/zinc/66/57/05/815665705.db2.gz QHGQNITZSIZRHT-LLVKDONJSA-N 1 3 250.346 -0.052 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160933514 815687998 /nfs/dbraw/zinc/68/79/98/815687998.db2.gz LNKCLCXTJOVUTR-NEPJUHHUSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160933514 815688003 /nfs/dbraw/zinc/68/80/03/815688003.db2.gz LNKCLCXTJOVUTR-NEPJUHHUSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160933516 815688293 /nfs/dbraw/zinc/68/82/93/815688293.db2.gz LNKCLCXTJOVUTR-RYUDHWBXSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@H]1COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160933516 815688300 /nfs/dbraw/zinc/68/83/00/815688300.db2.gz LNKCLCXTJOVUTR-RYUDHWBXSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161139452 815720409 /nfs/dbraw/zinc/72/04/09/815720409.db2.gz UTXUGURGZXCJKY-GUBZILKMSA-N 1 3 252.293 -0.742 20 30 CBEDHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161251309 815734050 /nfs/dbraw/zinc/73/40/50/815734050.db2.gz NNGPJTRVPCJRIE-UHFFFAOYSA-N 1 3 297.403 -0.548 20 30 CBEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001161537064 815769653 /nfs/dbraw/zinc/76/96/53/815769653.db2.gz OZJDIXHBDDKQEG-RYUDHWBXSA-N 1 3 298.387 -0.044 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281593 816957123 /nfs/dbraw/zinc/95/71/23/816957123.db2.gz DSDJVSSYYDDUJZ-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317281593 816957124 /nfs/dbraw/zinc/95/71/24/816957124.db2.gz DSDJVSSYYDDUJZ-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001319575047 817220647 /nfs/dbraw/zinc/22/06/47/817220647.db2.gz SONUFDNMMJJYIE-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC#CC)CC1 ZINC001320318820 817322093 /nfs/dbraw/zinc/32/20/93/817322093.db2.gz ZDOYTJQJQDZLIA-HNNXBMFYSA-N 1 3 291.395 -0.578 20 30 CBEDHO CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921630 817410697 /nfs/dbraw/zinc/41/06/97/817410697.db2.gz OFERAIWGUDIPAZ-GFCCVEGCSA-N 1 3 295.387 -0.984 20 30 CBEDHO CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320921630 817410704 /nfs/dbraw/zinc/41/07/04/817410704.db2.gz OFERAIWGUDIPAZ-GFCCVEGCSA-N 1 3 295.387 -0.984 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633143 820009269 /nfs/dbraw/zinc/00/92/69/820009269.db2.gz AHOYHNQZOCVXDB-ZDUSSCGKSA-N 1 3 296.415 -0.131 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626252 820009307 /nfs/dbraw/zinc/00/93/07/820009307.db2.gz CQPXHKFSIQJZNY-ZDUSSCGKSA-N 1 3 294.399 -0.684 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168762749 820179777 /nfs/dbraw/zinc/17/97/77/820179777.db2.gz HZAMQRPMHWEYCE-CYBMUJFWSA-N 1 3 296.415 -0.438 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176981046 820485591 /nfs/dbraw/zinc/48/55/91/820485591.db2.gz YPWBZMLVHCZMLE-UHFFFAOYSA-N 1 3 284.404 -0.275 20 30 CBEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001281169014 828405938 /nfs/dbraw/zinc/40/59/38/828405938.db2.gz WLCLZAZWPIQMSI-HNNXBMFYSA-N 1 3 290.367 -0.081 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817870 822298311 /nfs/dbraw/zinc/29/83/11/822298311.db2.gz KRORVEZSPNVMHX-CHWSQXEVSA-N 1 3 294.399 -0.569 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817870 822298322 /nfs/dbraw/zinc/29/83/22/822298322.db2.gz KRORVEZSPNVMHX-CHWSQXEVSA-N 1 3 294.399 -0.569 20 30 CBEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842386 822300515 /nfs/dbraw/zinc/30/05/15/822300515.db2.gz LWTKGHBNMVFNCF-CQSZACIVSA-N 1 3 279.384 -0.078 20 30 CBEDHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC#N ZINC001283713488 828535752 /nfs/dbraw/zinc/53/57/52/828535752.db2.gz ILFPQAWAYQVMFA-LBPRGKRZSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001283826556 828554194 /nfs/dbraw/zinc/55/41/94/828554194.db2.gz XLTUFWRXZOUREP-CHWSQXEVSA-N 1 3 269.389 -0.337 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057236 824341271 /nfs/dbraw/zinc/34/12/71/824341271.db2.gz FUHCLOYZYYVFCX-KBPBESRZSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057236 824341278 /nfs/dbraw/zinc/34/12/78/824341278.db2.gz FUHCLOYZYYVFCX-KBPBESRZSA-N 1 3 279.384 -0.222 20 30 CBEDHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 ZINC001209420193 824470656 /nfs/dbraw/zinc/47/06/56/824470656.db2.gz SASJFLDPORNGHR-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO N#Cc1cnc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001218504809 824573958 /nfs/dbraw/zinc/57/39/58/824573958.db2.gz UFMBQZNCEJSIGX-NSHDSACASA-N 1 3 260.301 -0.386 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)CNCC2 ZINC001218554777 824590016 /nfs/dbraw/zinc/59/00/16/824590016.db2.gz WTOPXNIFLCTEFL-GMSGAONNSA-N 1 3 292.364 -0.073 20 30 CBEDHO N#CN=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccncc1 ZINC001219972222 824925580 /nfs/dbraw/zinc/92/55/80/824925580.db2.gz MPRCWRNBJNPBNB-GFCCVEGCSA-N 1 3 286.339 -0.248 20 30 CBEDHO N#CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220191853 824984824 /nfs/dbraw/zinc/98/48/24/824984824.db2.gz QZJSKEBBLNTNIX-DGCLKSJQSA-N 1 3 250.346 -0.004 20 30 CBEDHO C=C[C@@H]1C[C@@]1(NC(=O)[C@H](N)CCC[NH3+])C(=O)OCC ZINC001220570823 825064412 /nfs/dbraw/zinc/06/44/12/825064412.db2.gz AUHTZOZHTPNTNS-BREBYQMCSA-N 1 3 269.345 -0.323 20 30 CBEDHO C=C[C@@H]1C[C@@]1(NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220571767 825066514 /nfs/dbraw/zinc/06/65/14/825066514.db2.gz ZHHPAFFYWVWNNH-JMSVASOKSA-N 1 3 295.383 -0.063 20 30 CBEDHO N=C(NC(=O)[C@@H](N)CCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643358 825079348 /nfs/dbraw/zinc/07/93/48/825079348.db2.gz BSTGOTNNOGQWBM-JTQLQIEISA-N 1 3 277.328 -0.916 20 30 CBEDHO C=CCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764225 825098783 /nfs/dbraw/zinc/09/87/83/825098783.db2.gz DBAPXUZSVKQANY-KGLIPLIRSA-N 1 3 299.415 -0.308 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220868451 825115954 /nfs/dbraw/zinc/11/59/54/825115954.db2.gz KIRWGNTZYVFTQZ-SRVKXCTJSA-N 1 3 253.346 -0.667 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220868608 825117032 /nfs/dbraw/zinc/11/70/32/825117032.db2.gz LWXHIALNLVVVOS-RYUDHWBXSA-N 1 3 252.362 -0.686 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220868723 825117273 /nfs/dbraw/zinc/11/72/73/825117273.db2.gz QKUJMEIQTCXCKD-SRVKXCTJSA-N 1 3 252.362 -0.700 20 30 CBEDHO N#CC1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCOCC1 ZINC001220966967 825129716 /nfs/dbraw/zinc/12/97/16/825129716.db2.gz MWBLQRJAXBZHPS-LLVKDONJSA-N 1 3 266.345 -0.498 20 30 CBEDHO CN(C)CC#CCNC(=O)NCCOCC[NH+](C)C ZINC001226575673 825281788 /nfs/dbraw/zinc/28/17/88/825281788.db2.gz QGYIFMFEZRBFBT-UHFFFAOYSA-N 1 3 270.377 -0.571 20 30 CBEDHO N#C[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246404836 825671704 /nfs/dbraw/zinc/67/17/04/825671704.db2.gz LULHRLBWWSTUEG-VWYCJHECSA-N 1 3 253.350 -0.797 20 30 CBEDHO N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(CN)C2)CCN1 ZINC001246555039 825685085 /nfs/dbraw/zinc/68/50/85/825685085.db2.gz ARFGNMCIUOKEGP-YNEHKIRRSA-N 1 3 252.362 -0.194 20 30 CBEDHO N#C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(CN)C2)CCN1 ZINC001246555039 825685088 /nfs/dbraw/zinc/68/50/88/825685088.db2.gz ARFGNMCIUOKEGP-YNEHKIRRSA-N 1 3 252.362 -0.194 20 30 CBEDHO C#CCOC[C@H](O)C[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001251861043 825797857 /nfs/dbraw/zinc/79/78/57/825797857.db2.gz ZEIKTMAWJYKNCX-MGPQQGTHSA-N 1 3 252.358 -0.119 20 30 CBEDHO C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001251861044 825799206 /nfs/dbraw/zinc/79/92/06/825799206.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 1 3 252.358 -0.119 20 30 CBEDHO C#CCOC[C@@H](O)C[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001251861044 825799212 /nfs/dbraw/zinc/79/92/12/825799212.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 1 3 252.358 -0.119 20 30 CBEDHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001263186973 826751822 /nfs/dbraw/zinc/75/18/22/826751822.db2.gz VJQRRVYNUVYACI-SSTAHTEZSA-N 1 3 262.357 -0.150 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001265496519 826899567 /nfs/dbraw/zinc/89/95/67/826899567.db2.gz XPNDLFKJTQNRMJ-AVGNSLFASA-N 1 3 296.415 -0.134 20 30 CBEDHO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001267468835 827175440 /nfs/dbraw/zinc/17/54/40/827175440.db2.gz DCXMRRGAUROCRY-ZDUSSCGKSA-N 1 3 296.415 -0.179 20 30 CBEDHO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCN1C ZINC001268784540 827421149 /nfs/dbraw/zinc/42/11/49/827421149.db2.gz XDWZRJJAZPPBBZ-LBPRGKRZSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC001272196501 827769313 /nfs/dbraw/zinc/76/93/13/827769313.db2.gz LXZOCPMODDPEAB-GFCCVEGCSA-N 1 3 255.362 -0.630 20 30 CBEDHO C#CCCN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274942280 828044436 /nfs/dbraw/zinc/04/44/36/828044436.db2.gz WDHSEHMFRWXFAO-AWEZNQCLSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274942280 828044445 /nfs/dbraw/zinc/04/44/45/828044445.db2.gz WDHSEHMFRWXFAO-AWEZNQCLSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCO)CC2)CC1 ZINC001277259610 828180859 /nfs/dbraw/zinc/18/08/59/828180859.db2.gz OXJLJKSFEPFWSB-UHFFFAOYSA-N 1 3 293.411 -0.048 20 30 CBEDHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)CCCC#N ZINC001349386142 890805481 /nfs/dbraw/zinc/80/54/81/890805481.db2.gz JVNMYOUOFKMLJD-LBPRGKRZSA-N 1 3 267.377 -0.629 20 30 CBEDHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC001327129699 885266417 /nfs/dbraw/zinc/26/64/17/885266417.db2.gz AUDNLMHZXJVAJV-QWRGUYRKSA-N 1 3 254.334 -0.498 20 30 CBEDHO C[NH2+]CCN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001331970532 887072748 /nfs/dbraw/zinc/07/27/48/887072748.db2.gz WESAAUREYMCBGH-QWKFWESOSA-N 1 3 250.346 -0.196 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC001326034159 884879542 /nfs/dbraw/zinc/87/95/42/884879542.db2.gz SDGKTCTZMMKEAX-UHFFFAOYSA-N 1 3 267.373 -0.486 20 30 CBEDHO CN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@H]1CC[NH2+]C1 ZINC001333632259 887725244 /nfs/dbraw/zinc/72/52/44/887725244.db2.gz XDLHPBPNPYGHBC-ATJQQHLPSA-N 1 3 262.357 -0.054 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001346452967 890293480 /nfs/dbraw/zinc/29/34/80/890293480.db2.gz FBMFYUZFJWRLDG-HAQNSBGRSA-N 1 3 252.362 -0.022 20 30 CBEDHO N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H]1CCC[NH2+]1)C2 ZINC001349808206 890894821 /nfs/dbraw/zinc/89/48/21/890894821.db2.gz MGEBANKFXMCSKQ-BEVNXUHPSA-N 1 3 262.357 -0.006 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001507064447 921664952 /nfs/dbraw/zinc/66/49/52/921664952.db2.gz VNFCCVGPPQVKFA-STQMWFEESA-N 1 3 296.415 -0.181 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001471631221 915610452 /nfs/dbraw/zinc/61/04/52/915610452.db2.gz VKQMQNQHPYDQCB-OLZOCXBDSA-N 1 3 264.373 -0.103 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001471631221 915610457 /nfs/dbraw/zinc/61/04/57/915610457.db2.gz VKQMQNQHPYDQCB-OLZOCXBDSA-N 1 3 264.373 -0.103 20 30 CBEDHO C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480619475 916494867 /nfs/dbraw/zinc/49/48/67/916494867.db2.gz CLBDCXLKIQZPHU-STQMWFEESA-N 1 3 296.415 -0.181 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484897338 917961977 /nfs/dbraw/zinc/96/19/77/917961977.db2.gz KBKWNQHBQHEXPM-CHWSQXEVSA-N 1 3 296.415 -0.323 20 30 CBEDHO COCC#CCN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640784 919238306 /nfs/dbraw/zinc/23/83/06/919238306.db2.gz MCRVQAOBRMYSIR-CYBMUJFWSA-N 1 3 279.384 -0.174 20 30 CBEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491748439 919268692 /nfs/dbraw/zinc/26/86/92/919268692.db2.gz XUBMXUOANYXMCR-ZDUSSCGKSA-N 1 3 294.399 -0.732 20 30 CBEDHO CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001497031465 920217328 /nfs/dbraw/zinc/21/73/28/920217328.db2.gz APTHDTGPYIWZPJ-ZDUSSCGKSA-N 1 3 281.400 -0.049 20 30 CBEDHO C#CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495585 920312519 /nfs/dbraw/zinc/31/25/19/920312519.db2.gz JNRSQQROHDYOSF-CYBMUJFWSA-N 1 3 294.399 -0.874 20 30 CBEDHO C#CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495585 920312533 /nfs/dbraw/zinc/31/25/33/920312533.db2.gz JNRSQQROHDYOSF-CYBMUJFWSA-N 1 3 294.399 -0.874 20 30 CBEDHO C#CCNC/C=C\CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497697392 920373673 /nfs/dbraw/zinc/37/36/73/920373673.db2.gz MGUIBBHBKOGART-WAYWQWQTSA-N 1 3 289.383 -0.047 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001498114296 920484592 /nfs/dbraw/zinc/48/45/92/920484592.db2.gz GHUODVWHDFAZFF-AVGNSLFASA-N 1 3 296.415 -0.441 20 30 CBEDHO C=CCN1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722064 920867198 /nfs/dbraw/zinc/86/71/98/920867198.db2.gz 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/nfs/dbraw/zinc/25/18/01/220251801.db2.gz OKXBTKXYCZLVEW-JQWIXIFHSA-N 1 3 256.350 -0.912 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262688587 220255767 /nfs/dbraw/zinc/25/57/67/220255767.db2.gz ZKFAHRSUWMYEEA-JTQLQIEISA-N 1 3 265.365 -0.296 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005526 276377942 /nfs/dbraw/zinc/37/79/42/276377942.db2.gz RJHCNFHDAYLNHV-LBPRGKRZSA-N 1 3 284.404 -0.084 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000262275205 279303411 /nfs/dbraw/zinc/30/34/11/279303411.db2.gz HVFUBDHXEHDDEU-OCCSQVGLSA-N 1 3 283.420 -0.558 20 30 CBEDHO C#CCNC(=O)CC[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000491545169 332234706 /nfs/dbraw/zinc/23/47/06/332234706.db2.gz PEGMCSRUIAPPLO-CQSZACIVSA-N 1 3 281.400 -0.192 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491806252 332359557 /nfs/dbraw/zinc/35/95/57/332359557.db2.gz QUXKJHIIKNAIJG-GFCCVEGCSA-N 1 3 252.362 -0.007 20 30 CBEDHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CNC[C@@H]2C#N)C1(C)C ZINC000834484981 583125052 /nfs/dbraw/zinc/12/50/52/583125052.db2.gz QMRBMFBRZOVRQQ-DYNIEEOBSA-N 1 3 280.372 -0.253 20 30 CBEDHO C#CCN(C)CCCNC(=O)NCC[NH2+]C1CC1 ZINC000841907711 583176647 /nfs/dbraw/zinc/17/66/47/583176647.db2.gz RZACBSZSKQJUAL-UHFFFAOYSA-N 1 3 252.362 -0.007 20 30 CBEDHO N#C[C@@H]1CNC[C@@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458852 583221153 /nfs/dbraw/zinc/22/11/53/583221153.db2.gz AKEHLSFQFRZMAQ-OLZOCXBDSA-N 1 3 270.336 -0.290 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000852881881 583567099 /nfs/dbraw/zinc/56/70/99/583567099.db2.gz RQMHJSHZNXGDDC-RYUDHWBXSA-N 1 3 253.321 -0.194 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000876511183 584130287 /nfs/dbraw/zinc/13/02/87/584130287.db2.gz YZJBYKGUQCXNSM-JTQLQIEISA-N 1 3 260.769 -0.522 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869031 584151279 /nfs/dbraw/zinc/15/12/79/584151279.db2.gz BCUJCORVVPKJIS-VHSXEESVSA-N 1 3 261.753 -0.049 20 30 CBEDHO C=CCN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591439 613816432 /nfs/dbraw/zinc/81/64/32/613816432.db2.gz GZDBTLHTOQXGPD-CHWSQXEVSA-N 1 3 279.384 -0.323 20 30 CBEDHO C=CCN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591451 613823940 /nfs/dbraw/zinc/82/39/40/613823940.db2.gz GZDBTLHTOQXGPD-STQMWFEESA-N 1 3 279.384 -0.323 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863635 656139420 /nfs/dbraw/zinc/13/94/20/656139420.db2.gz AKCQNIGUQDWYOB-LLVKDONJSA-N 1 3 269.393 -0.147 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797473 656141637 /nfs/dbraw/zinc/14/16/37/656141637.db2.gz GEBMOGZAOPURHO-LBPRGKRZSA-N 1 3 281.404 -0.099 20 30 CBEDHO C=C(CC[NH+](C)C)C(=O)NCCN(CC)CCO ZINC000907440939 656505841 /nfs/dbraw/zinc/50/58/41/656505841.db2.gz UGYXPRJPLADUNV-UHFFFAOYSA-N 1 3 257.378 -0.075 20 30 CBEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000912461146 657268515 /nfs/dbraw/zinc/26/85/15/657268515.db2.gz INBJURBWLUDYFI-UHFFFAOYSA-N 1 3 298.431 -0.027 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001020178855 658022992 /nfs/dbraw/zinc/02/29/92/658022992.db2.gz GTZASFHZCATQBJ-XUXIUFHCSA-N 1 3 277.368 -0.280 20 30 CBEDHO C#CC[N@@H+](C)CCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925314172 658822288 /nfs/dbraw/zinc/82/22/88/658822288.db2.gz RQQXPXLARREVBZ-LLVKDONJSA-N 1 3 266.345 -0.577 20 30 CBEDHO C#CC[N@H+](C)CCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925314172 658822290 /nfs/dbraw/zinc/82/22/90/658822290.db2.gz RQQXPXLARREVBZ-LLVKDONJSA-N 1 3 266.345 -0.577 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1 ZINC001080997609 806023526 /nfs/dbraw/zinc/02/35/26/806023526.db2.gz GRWCTTWWLYXGRY-UKRRQHHQSA-N 1 3 293.411 -0.240 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)CC1 ZINC001080997609 806023534 /nfs/dbraw/zinc/02/35/34/806023534.db2.gz GRWCTTWWLYXGRY-UKRRQHHQSA-N 1 3 293.411 -0.240 20 30 CBEDHO C#CCC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782571 806430244 /nfs/dbraw/zinc/43/02/44/806430244.db2.gz BAYSHLDBPWIGFW-KGLIPLIRSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782571 806430251 /nfs/dbraw/zinc/43/02/51/806430251.db2.gz BAYSHLDBPWIGFW-KGLIPLIRSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001023128907 798885224 /nfs/dbraw/zinc/88/52/24/798885224.db2.gz XZSCDFJGAHTGSF-BETUJISGSA-N 1 3 292.383 -0.946 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001023128137 798885290 /nfs/dbraw/zinc/88/52/90/798885290.db2.gz QYMGFCGSLAZRBB-OKILXGFUSA-N 1 3 279.384 -0.439 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148352390 814939745 /nfs/dbraw/zinc/93/97/45/814939745.db2.gz IGKPVKSSGYFPKL-UHFFFAOYSA-N 1 3 284.404 -0.274 20 30 CBEDHO C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151058180 815054673 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CC#CCN1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814030 810568941 /nfs/dbraw/zinc/56/89/41/810568941.db2.gz HXZAMBSQRBDJCA-UONOGXRCSA-N 1 3 279.384 -0.343 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971300 810979715 /nfs/dbraw/zinc/97/97/15/810979715.db2.gz FIBWXJIPUZNQAW-KGLIPLIRSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971299 810980392 /nfs/dbraw/zinc/98/03/92/810980392.db2.gz FIBWXJIPUZNQAW-KBPBESRZSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985918 810984923 /nfs/dbraw/zinc/98/49/23/810984923.db2.gz GYHFPFBZPUSCQY-STQMWFEESA-N 1 3 267.373 -0.487 20 30 CBEDHO C=C(C)CN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073759 811014460 /nfs/dbraw/zinc/01/44/60/811014460.db2.gz GQMUDJSQADQOHW-KGLIPLIRSA-N 1 3 299.415 -0.308 20 30 CBEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131406 811024850 /nfs/dbraw/zinc/02/48/50/811024850.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 1 3 281.400 -0.099 20 30 CBEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131406 811024858 /nfs/dbraw/zinc/02/48/58/811024858.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 1 3 281.400 -0.099 20 30 CBEDHO CC(C)([NH3+])CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001119296864 812746128 /nfs/dbraw/zinc/74/61/28/812746128.db2.gz GPGRAFHIECIIOU-RUETXSTFSA-N 1 3 250.346 -0.021 20 30 CBEDHO C[NH2+]C[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001119298654 812747183 /nfs/dbraw/zinc/74/71/83/812747183.db2.gz FJSCJYAEZQLZDZ-MSLYCWSTSA-N 1 3 250.346 -0.150 20 30 CBEDHO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866334 813490024 /nfs/dbraw/zinc/49/00/24/813490024.db2.gz AFXQLGLKCXUEOM-NWDGAFQWSA-N 1 3 282.388 -0.523 20 30 CBEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC#N)CC[N@@H+]1C ZINC001127689913 813741148 /nfs/dbraw/zinc/74/11/48/813741148.db2.gz BKORETHPAFSFEH-NWDGAFQWSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC#N)CC[N@H+]1C ZINC001127689913 813741154 /nfs/dbraw/zinc/74/11/54/813741154.db2.gz BKORETHPAFSFEH-NWDGAFQWSA-N 1 3 295.387 -0.938 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780532 813748289 /nfs/dbraw/zinc/74/82/89/813748289.db2.gz ZQAHHKLUYRJMCV-KBPBESRZSA-N 1 3 295.383 -0.795 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780532 813748299 /nfs/dbraw/zinc/74/82/99/813748299.db2.gz ZQAHHKLUYRJMCV-KBPBESRZSA-N 1 3 295.383 -0.795 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128774232 813796486 /nfs/dbraw/zinc/79/64/86/813796486.db2.gz PPRSWJASKZDWCA-ZDUSSCGKSA-N 1 3 294.399 -0.684 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128774232 813796491 /nfs/dbraw/zinc/79/64/91/813796491.db2.gz PPRSWJASKZDWCA-ZDUSSCGKSA-N 1 3 294.399 -0.684 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129437392 813845332 /nfs/dbraw/zinc/84/53/32/813845332.db2.gz ZVEKZDRISOANTO-ZDUSSCGKSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532278 813850067 /nfs/dbraw/zinc/85/00/67/813850067.db2.gz XXTKCXYLGQRFPA-UHFFFAOYSA-N 1 3 267.373 -0.174 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845542 814307764 /nfs/dbraw/zinc/30/77/64/814307764.db2.gz IFYLLRHEIMYICZ-CYBMUJFWSA-N 1 3 267.373 -0.316 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133868108 814313557 /nfs/dbraw/zinc/31/35/57/814313557.db2.gz ZEZQXTRTOIUXNU-NWDGAFQWSA-N 1 3 282.388 -0.808 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133868108 814313566 /nfs/dbraw/zinc/31/35/66/814313566.db2.gz ZEZQXTRTOIUXNU-NWDGAFQWSA-N 1 3 282.388 -0.808 20 30 CBEDHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N(C)C ZINC001160421374 815619330 /nfs/dbraw/zinc/61/93/30/815619330.db2.gz PNHYFSIGHCOXSI-ZDUSSCGKSA-N 1 3 297.403 -0.692 20 30 CBEDHO COCC#CCNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885848 814921858 /nfs/dbraw/zinc/92/18/58/814921858.db2.gz PQKQYWGLTBNECP-CYBMUJFWSA-N 1 3 267.373 -0.316 20 30 CBEDHO COCC#CCNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885848 814921864 /nfs/dbraw/zinc/92/18/64/814921864.db2.gz PQKQYWGLTBNECP-CYBMUJFWSA-N 1 3 267.373 -0.316 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915676 815603969 /nfs/dbraw/zinc/60/39/69/815603969.db2.gz LUHWFMKAVAVEDJ-CQSZACIVSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#C[C@](C)(N)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155006 815610033 /nfs/dbraw/zinc/61/00/33/815610033.db2.gz CKUAUMDYTQRNFG-GUTXKFCHSA-N 1 3 277.368 -0.341 20 30 CBEDHO C#C[C@](C)(N)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155006 815610036 /nfs/dbraw/zinc/61/00/36/815610036.db2.gz CKUAUMDYTQRNFG-GUTXKFCHSA-N 1 3 277.368 -0.341 20 30 CBEDHO C=CCN1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160432447 815620922 /nfs/dbraw/zinc/62/09/22/815620922.db2.gz WHUAXHARIXTVHA-ZDUSSCGKSA-N 1 3 266.389 -0.357 20 30 CBEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN[C@H](C#N)C1 ZINC001160653109 815653131 /nfs/dbraw/zinc/65/31/31/815653131.db2.gz UOTNOWSSCXEASZ-OLZOCXBDSA-N 1 3 281.404 -0.194 20 30 CBEDHO N#CCCN(CCC#N)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160751539 815667432 /nfs/dbraw/zinc/66/74/32/815667432.db2.gz WBHOPCLDXQKUER-LLVKDONJSA-N 1 3 261.329 -0.549 20 30 CBEDHO N#CCCN(CCC#N)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160749910 815667503 /nfs/dbraw/zinc/66/75/03/815667503.db2.gz ALKFGUXVRGNLDJ-LBPRGKRZSA-N 1 3 263.345 -0.031 20 30 CBEDHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@@H](C#N)C1 ZINC001160878040 815683642 /nfs/dbraw/zinc/68/36/42/815683642.db2.gz GMNYILUKRVXCIH-RYUDHWBXSA-N 1 3 268.361 -0.203 20 30 CBEDHO COC(=O)C1(C#N)CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161487205 815759683 /nfs/dbraw/zinc/75/96/83/815759683.db2.gz DYFDBMXFAGXQSP-NSHDSACASA-N 1 3 296.371 -0.252 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317263283 816953914 /nfs/dbraw/zinc/95/39/14/816953914.db2.gz FMKBMZMSLYOKOB-LBPRGKRZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281596 816958182 /nfs/dbraw/zinc/95/81/82/816958182.db2.gz DSDJVSSYYDDUJZ-STQMWFEESA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317281596 816958188 /nfs/dbraw/zinc/95/81/88/816958188.db2.gz DSDJVSSYYDDUJZ-STQMWFEESA-N 1 3 296.415 -0.275 20 30 CBEDHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166634226 820010954 /nfs/dbraw/zinc/01/09/54/820010954.db2.gz RHBIAANHWYDHGU-LBPRGKRZSA-N 1 3 295.387 -0.794 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668359 820014961 /nfs/dbraw/zinc/01/49/61/820014961.db2.gz ZSYJUTWNOXDBHZ-ZDUSSCGKSA-N 1 3 294.399 -0.827 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986011 820483908 /nfs/dbraw/zinc/48/39/08/820483908.db2.gz AZMXBNMMQHDMSW-CYBMUJFWSA-N 1 3 296.415 -0.440 20 30 CBEDHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001185705370 821139560 /nfs/dbraw/zinc/13/95/60/821139560.db2.gz ADRZESKUNHAMDQ-NEPJUHHUSA-N 1 3 295.387 -0.843 20 30 CBEDHO C#CCNCCN(CCO)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001279731259 828336984 /nfs/dbraw/zinc/33/69/84/828336984.db2.gz NYVKRBRGBPBZJC-AWEZNQCLSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CCNCCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001279731259 828336994 /nfs/dbraw/zinc/33/69/94/828336994.db2.gz NYVKRBRGBPBZJC-AWEZNQCLSA-N 1 3 281.400 -0.096 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817871 822297831 /nfs/dbraw/zinc/29/78/31/822297831.db2.gz KRORVEZSPNVMHX-QWHCGFSZSA-N 1 3 294.399 -0.569 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817871 822297838 /nfs/dbraw/zinc/29/78/38/822297838.db2.gz KRORVEZSPNVMHX-QWHCGFSZSA-N 1 3 294.399 -0.569 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825330 822298726 /nfs/dbraw/zinc/29/87/26/822298726.db2.gz KRZSEDJUCDPLFM-UONOGXRCSA-N 1 3 279.384 -0.222 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825330 822298733 /nfs/dbraw/zinc/29/87/33/822298733.db2.gz KRZSEDJUCDPLFM-UONOGXRCSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCO)CC1 ZINC001282241381 828439629 /nfs/dbraw/zinc/43/96/29/828439629.db2.gz KNXKDSOBLWILTD-CHWSQXEVSA-N 1 3 281.400 -0.193 20 30 CBEDHO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001283826558 828554688 /nfs/dbraw/zinc/55/46/88/828554688.db2.gz XLTUFWRXZOUREP-QWHCGFSZSA-N 1 3 269.389 -0.337 20 30 CBEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825962 824203445 /nfs/dbraw/zinc/20/34/45/824203445.db2.gz JFPRDRDJXPFXNO-ZIAGYGMSSA-N 1 3 299.415 -0.308 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057240 824341157 /nfs/dbraw/zinc/34/11/57/824341157.db2.gz FUHCLOYZYYVFCX-ZIAGYGMSSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057240 824341162 /nfs/dbraw/zinc/34/11/62/824341162.db2.gz FUHCLOYZYYVFCX-ZIAGYGMSSA-N 1 3 279.384 -0.222 20 30 CBEDHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001209420194 824470729 /nfs/dbraw/zinc/47/07/29/824470729.db2.gz SASJFLDPORNGHR-LBPRGKRZSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445364 824472372 /nfs/dbraw/zinc/47/23/72/824472372.db2.gz MGAWBCZYTRYWCJ-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO N#Cc1cnc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001218504808 824573287 /nfs/dbraw/zinc/57/32/87/824573287.db2.gz UFMBQZNCEJSIGX-LLVKDONJSA-N 1 3 260.301 -0.386 20 30 CBEDHO C#Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218521307 824581404 /nfs/dbraw/zinc/58/14/04/824581404.db2.gz URTOCSSZJVMAAA-GFCCVEGCSA-N 1 3 256.309 -0.768 20 30 CBEDHO C#Cc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ccn1 ZINC001218523170 824582807 /nfs/dbraw/zinc/58/28/07/824582807.db2.gz DAYXTKFPRLRWHF-ZDUSSCGKSA-N 1 3 258.325 -0.250 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O)CNCC2 ZINC001218553083 824589464 /nfs/dbraw/zinc/58/94/64/824589464.db2.gz NBRYTQLSAUFXDC-NXEZZACHSA-N 1 3 292.364 -0.216 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]CCN1)CNCC2 ZINC001218553843 824589623 /nfs/dbraw/zinc/58/96/23/824589623.db2.gz TXEBXJNBUKBRTF-JTQLQIEISA-N 1 3 291.380 -0.235 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N)CNCC2 ZINC001218551862 824590003 /nfs/dbraw/zinc/59/00/03/824590003.db2.gz BLDLANQFFQTJKG-UWVGGRQHSA-N 1 3 291.380 -0.249 20 30 CBEDHO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H](N)CCC[NH3+] ZINC001218637866 824611162 /nfs/dbraw/zinc/61/11/62/824611162.db2.gz RBPBULYTXWGUGL-SNVBAGLBSA-N 1 3 298.310 -0.523 20 30 CBEDHO N#Cc1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218654512 824616537 /nfs/dbraw/zinc/61/65/37/824616537.db2.gz AFRGHEJVOSEJSI-PRHODGIISA-N 1 3 260.301 -0.581 20 30 CBEDHO N#Cc1ccnnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218702630 824625381 /nfs/dbraw/zinc/62/53/81/824625381.db2.gz VDAOIMTUVOKXRA-VIFPVBQESA-N 1 3 258.285 -0.904 20 30 CBEDHO N#CN=C(NC(=O)[C@@H](N)CSCC[NH3+])c1ccncc1 ZINC001219972042 824925753 /nfs/dbraw/zinc/92/57/53/824925753.db2.gz HYLCQRQZELUMNW-JTQLQIEISA-N 1 3 292.368 -0.555 20 30 CBEDHO C=C(C)C(=O)OCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220124583 824960594 /nfs/dbraw/zinc/96/05/94/824960594.db2.gz DDXVUOBIUYSDPV-JTQLQIEISA-N 1 3 257.334 -0.322 20 30 CBEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220571769 825065267 /nfs/dbraw/zinc/06/52/67/825065267.db2.gz ZHHPAFFYWVWNNH-TYNCELHUSA-N 1 3 295.383 -0.063 20 30 CBEDHO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220701294 825086469 /nfs/dbraw/zinc/08/64/69/825086469.db2.gz ZKRNYVGXNXMZBR-QWRGUYRKSA-N 1 3 250.346 -0.150 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220868757 825117407 /nfs/dbraw/zinc/11/74/07/825117407.db2.gz RXCLEDMTXLZGDQ-VNHYZAJKSA-N 1 3 278.400 -0.296 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220868818 825117609 /nfs/dbraw/zinc/11/76/09/825117609.db2.gz VNHDEIWAJFCQTE-XDQVBPFNSA-N 1 3 278.400 -0.297 20 30 CBEDHO N#Cc1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001221089014 825143078 /nfs/dbraw/zinc/14/30/78/825143078.db2.gz DMNJDHLCIFIDBS-GFCCVEGCSA-N 1 3 271.324 -0.622 20 30 CBEDHO C=CC[C@@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C(=O)OC ZINC001221382797 825180199 /nfs/dbraw/zinc/18/01/99/825180199.db2.gz YLAZZKJAOLIDSQ-JOYOIKCWSA-N 1 3 289.401 -0.370 20 30 CBEDHO C=CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243947 825550691 /nfs/dbraw/zinc/55/06/91/825550691.db2.gz WVGKJQKFLGMEIR-LLVKDONJSA-N 1 3 273.402 -0.034 20 30 CBEDHO C=CCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243947 825550689 /nfs/dbraw/zinc/55/06/89/825550689.db2.gz WVGKJQKFLGMEIR-LLVKDONJSA-N 1 3 273.402 -0.034 20 30 CBEDHO C=CCOC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245974828 825616449 /nfs/dbraw/zinc/61/64/49/825616449.db2.gz OBJDSLLBMQYRIF-SDDRHHMPSA-N 1 3 262.325 -0.798 20 30 CBEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001246000092 825620004 /nfs/dbraw/zinc/62/00/04/825620004.db2.gz KQVYMTOBVQYTRW-DZGCQCFKSA-N 1 3 299.415 -0.083 20 30 CBEDHO C#CCOC[C@H](O)C[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001251861041 825798324 /nfs/dbraw/zinc/79/83/24/825798324.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 1 3 252.358 -0.119 20 30 CBEDHO C#CCOC[C@H](O)C[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001251861041 825798331 /nfs/dbraw/zinc/79/83/31/825798331.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 1 3 252.358 -0.119 20 30 CBEDHO C#CCOC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001251887905 825802686 /nfs/dbraw/zinc/80/26/86/825802686.db2.gz MBZYPQCKXXUIRY-AWEZNQCLSA-N 1 3 269.389 -0.776 20 30 CBEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025178 827108314 /nfs/dbraw/zinc/10/83/14/827108314.db2.gz LWTKGHBNMVFNCF-AWEZNQCLSA-N 1 3 279.384 -0.078 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001268324591 827301684 /nfs/dbraw/zinc/30/16/84/827301684.db2.gz USHOBRRYRRJDFH-QWHCGFSZSA-N 1 3 269.389 -0.337 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC)CC1 ZINC001268335465 827308619 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CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202505 885964257 /nfs/dbraw/zinc/96/42/57/885964257.db2.gz KYRJKTFYPPETET-VXGBXAGGSA-N 1 3 297.403 -0.551 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001331630784 886873680 /nfs/dbraw/zinc/87/36/80/886873680.db2.gz JQFCRXRMFYVAES-STQMWFEESA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001331630784 886873706 /nfs/dbraw/zinc/87/37/06/886873706.db2.gz JQFCRXRMFYVAES-STQMWFEESA-N 1 3 296.415 -0.323 20 30 CBEDHO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001331787390 886982538 /nfs/dbraw/zinc/98/25/38/886982538.db2.gz IFKRLMYABBNHSE-STQMWFEESA-N 1 3 269.389 -0.029 20 30 CBEDHO C[C@H](C[NH3+])CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001331968420 887069314 /nfs/dbraw/zinc/06/93/14/887069314.db2.gz IIHHWAIPIOIKHK-YLXHPXFOSA-N 1 3 250.346 -0.163 20 30 CBEDHO CN(C)CC#CC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001338487836 889164970 /nfs/dbraw/zinc/16/49/70/889164970.db2.gz 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/nfs/dbraw/zinc/12/06/70/815120670.db2.gz RAMVFRGGXSXHLG-CYBMUJFWSA-N 1 3 296.415 -0.181 20 30 CBEDHO CC#CCN1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814029 810569340 /nfs/dbraw/zinc/56/93/40/810569340.db2.gz HXZAMBSQRBDJCA-KGLIPLIRSA-N 1 3 279.384 -0.343 20 30 CBEDHO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449645 810847783 /nfs/dbraw/zinc/84/77/83/810847783.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 1 3 293.411 -0.001 20 30 CBEDHO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449645 810847793 /nfs/dbraw/zinc/84/77/93/810847793.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 1 3 293.411 -0.001 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064121 811008548 /nfs/dbraw/zinc/00/85/48/811008548.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064121 811008555 /nfs/dbraw/zinc/00/85/55/811008555.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118322702 812529644 /nfs/dbraw/zinc/52/96/44/812529644.db2.gz NWEYMNGWVQAIIH-ZIAGYGMSSA-N 1 3 293.415 -0.096 20 30 CBEDHO C[NH2+]C[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001119298655 812747601 /nfs/dbraw/zinc/74/76/01/812747601.db2.gz FJSCJYAEZQLZDZ-URAGZPLESA-N 1 3 250.346 -0.150 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119419048 812779546 /nfs/dbraw/zinc/77/95/46/812779546.db2.gz ZZAFXRGFCCYFRD-TXEJJXNPSA-N 1 3 294.399 -0.394 20 30 CBEDHO CCN1CCN(CC[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC001120482103 812972174 /nfs/dbraw/zinc/97/21/74/812972174.db2.gz WHQUGDGVWUWLME-HNNXBMFYSA-N 1 3 297.447 -0.580 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866336 813489794 /nfs/dbraw/zinc/48/97/94/813489794.db2.gz AFXQLGLKCXUEOM-VXGBXAGGSA-N 1 3 282.388 -0.523 20 30 CBEDHO COCC#CCNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481294 813734078 /nfs/dbraw/zinc/73/40/78/813734078.db2.gz RAWSPAUHAIUXSZ-AWEZNQCLSA-N 1 3 279.384 -0.316 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363000 813838785 /nfs/dbraw/zinc/83/87/85/813838785.db2.gz DFORCKSKXYTTGW-GFCCVEGCSA-N 1 3 294.399 -0.686 20 30 CBEDHO C=CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131525718 814037185 /nfs/dbraw/zinc/03/71/85/814037185.db2.gz HWIDAIQYBJQZCT-MBHSVXNSSA-N 1 3 265.357 -0.259 20 30 CBEDHO C=CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131525717 814038592 /nfs/dbraw/zinc/03/85/92/814038592.db2.gz HWIDAIQYBJQZCT-LXVYMNJGSA-N 1 3 265.357 -0.259 20 30 CBEDHO COCC#CCNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993469 814206967 /nfs/dbraw/zinc/20/69/67/814206967.db2.gz VRTMUMGWIGBJSH-UHFFFAOYSA-N 1 3 267.373 -0.316 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994828 814207793 /nfs/dbraw/zinc/20/77/93/814207793.db2.gz CZUANYCCUDMUGJ-LBPRGKRZSA-N 1 3 294.399 -0.828 20 30 CBEDHO CCN(CCC#N)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294836 814240245 /nfs/dbraw/zinc/24/02/45/814240245.db2.gz WOQLSHOMHFUPRQ-UHFFFAOYSA-N 1 3 297.403 -0.594 20 30 CBEDHO C=CCN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160437333 815621881 /nfs/dbraw/zinc/62/18/81/815621881.db2.gz SGMQDBUQGHNNRX-NSHDSACASA-N 1 3 272.418 -0.664 20 30 CBEDHO N#C[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160642464 815650673 /nfs/dbraw/zinc/65/06/73/815650673.db2.gz JGNVFEUCAUUSCG-UWVGGRQHSA-N 1 3 256.375 -0.232 20 30 CBEDHO COC(=O)C1(C#N)CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001161489838 815761889 /nfs/dbraw/zinc/76/18/89/815761889.db2.gz XLGKSJZHNNCDCS-SNVBAGLBSA-N 1 3 282.344 -0.642 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C1 ZINC001317124770 816936390 /nfs/dbraw/zinc/93/63/90/816936390.db2.gz YBAMXDCAAKXOJY-BETUJISGSA-N 1 3 294.399 -0.686 20 30 CBEDHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)NCC#N)[NH+](C)C ZINC001317277820 816956766 /nfs/dbraw/zinc/95/67/66/816956766.db2.gz AGAMHLBDQNISQX-YPMHNXCESA-N 1 3 297.403 -0.693 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001317282438 816957197 /nfs/dbraw/zinc/95/71/97/816957197.db2.gz ISXYPBNALFUNBW-VXGBXAGGSA-N 1 3 282.388 -0.830 20 30 CBEDHO COCC#CCN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317287760 816959282 /nfs/dbraw/zinc/95/92/82/816959282.db2.gz CVQOOWHWQGVQIV-QWHCGFSZSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317287760 816959287 /nfs/dbraw/zinc/95/92/87/816959287.db2.gz CVQOOWHWQGVQIV-QWHCGFSZSA-N 1 3 267.373 -0.318 20 30 CBEDHO C#CCNC(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001317622661 817032467 /nfs/dbraw/zinc/03/24/67/817032467.db2.gz HTONQMSEJROBKI-UHFFFAOYSA-N 1 3 294.399 -0.874 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC001320217520 817295897 /nfs/dbraw/zinc/29/58/97/817295897.db2.gz OTBQOPJHLYEDMO-CHWSQXEVSA-N 1 3 267.373 -0.441 20 30 CBEDHO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001320233182 817299327 /nfs/dbraw/zinc/29/93/27/817299327.db2.gz GBQNMQPNZWPBJU-RYUDHWBXSA-N 1 3 257.378 -0.175 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851553 820042432 /nfs/dbraw/zinc/04/24/32/820042432.db2.gz CYFFYLVAAQWQDM-STQMWFEESA-N 1 3 296.415 -0.440 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168755724 820176284 /nfs/dbraw/zinc/17/62/84/820176284.db2.gz QYFKSWRRCIBUJK-UHFFFAOYSA-N 1 3 282.388 -0.827 20 30 CBEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001176926872 820481471 /nfs/dbraw/zinc/48/14/71/820481471.db2.gz YKUHHRCHVWESSO-LBPRGKRZSA-N 1 3 294.399 -0.699 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652387 820807176 /nfs/dbraw/zinc/80/71/76/820807176.db2.gz LZWBHMCBCPTCEB-OLZOCXBDSA-N 1 3 294.399 -0.427 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN(C)C1CCC1 ZINC001279731235 828336583 /nfs/dbraw/zinc/33/65/83/828336583.db2.gz MZDGPSMRXJDIMM-UHFFFAOYSA-N 1 3 267.373 -0.486 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870659 824337697 /nfs/dbraw/zinc/33/76/97/824337697.db2.gz CBMPVUHKVOLRRW-AWEZNQCLSA-N 1 3 291.395 -0.078 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870662 824337772 /nfs/dbraw/zinc/33/77/72/824337772.db2.gz CBMPVUHKVOLRRW-CQSZACIVSA-N 1 3 291.395 -0.078 20 30 CBEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418898 824471250 /nfs/dbraw/zinc/47/12/50/824471250.db2.gz GGHODVLNTIZOCO-ZDUSSCGKSA-N 1 3 296.415 -0.179 20 30 CBEDHO C=CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730150 824514642 /nfs/dbraw/zinc/51/46/42/824514642.db2.gz GCGOCDSQDUZQPS-ZIAGYGMSSA-N 1 3 299.415 -0.044 20 30 CBEDHO N#C[C@@H]1CNC[C@@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832277 824561820 /nfs/dbraw/zinc/56/18/20/824561820.db2.gz NNPWZUWUICBYJV-BNDIWNMDSA-N 1 3 251.330 -0.118 20 30 CBEDHO Cc1noc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1C#N ZINC001218504157 824573009 /nfs/dbraw/zinc/57/30/09/824573009.db2.gz SWUHVEMRVFJCKL-NOZJJQNGSA-N 1 3 275.312 -0.008 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@H]1[NH2+]CC[C@H]1O)CNCC2 ZINC001218552875 824590111 /nfs/dbraw/zinc/59/01/11/824590111.db2.gz LRLDOBGKXONORM-KOLCDFICSA-N 1 3 292.364 -0.073 20 30 CBEDHO C#Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C#C)n1 ZINC001218657310 824616491 /nfs/dbraw/zinc/61/64/91/824616491.db2.gz IJVOQWVXBANSED-NSHDSACASA-N 1 3 281.319 -0.813 20 30 CBEDHO C[NH+](C)CCCC[C@H](N)C(=O)n1nc(N)c(C#N)c1N ZINC001218659606 824618603 /nfs/dbraw/zinc/61/86/03/824618603.db2.gz IVQZIBLGLQFCIX-VIFPVBQESA-N 1 3 279.348 -0.381 20 30 CBEDHO N#Cc1cc(N)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1C#N ZINC001218987266 824651547 /nfs/dbraw/zinc/65/15/47/824651547.db2.gz LBLALGROOCVFID-LLVKDONJSA-N 1 3 296.334 -0.240 20 30 CBEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H](N)CCC[NH3+] ZINC001220043249 824942643 /nfs/dbraw/zinc/94/26/43/824942643.db2.gz LBHLGSFDKHCMCD-JTQLQIEISA-N 1 3 256.350 -0.749 20 30 CBEDHO C=C(C)C(=O)OCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220124762 824959982 /nfs/dbraw/zinc/95/99/82/824959982.db2.gz KHLTYRYVEIYYNU-BXUZGUMPSA-N 1 3 281.356 -0.579 20 30 CBEDHO C#C[C@](C)(N)C(=O)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001220344728 825019702 /nfs/dbraw/zinc/01/97/02/825019702.db2.gz AYRVPPKRPHZNAH-ZDUSSCGKSA-N 1 3 281.356 -0.519 20 30 CBEDHO COC(=O)c1ccc(C(=N)NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220577619 825069701 /nfs/dbraw/zinc/06/97/01/825069701.db2.gz ZDOHDVORGABJJI-LLVKDONJSA-N 1 3 292.339 -0.229 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220868452 825115452 /nfs/dbraw/zinc/11/54/52/825115452.db2.gz KIRWGNTZYVFTQZ-TUAOUCFPSA-N 1 3 253.346 -0.667 20 30 CBEDHO N#CC1(NC(=O)[C@@H](N)CCCC[NH3+])CCOCC1 ZINC001220967131 825130372 /nfs/dbraw/zinc/13/03/72/825130372.db2.gz STUCQDVLPSHPJO-JTQLQIEISA-N 1 3 254.334 -0.368 20 30 CBEDHO N#Cc1cnc(CNC(=O)[C@H](N)CCC[NH3+])s1 ZINC001220872170 825117241 /nfs/dbraw/zinc/11/72/41/825117241.db2.gz MSRCPYWGLCRSOZ-MRVPVSSYSA-N 1 3 253.331 -0.303 20 30 CBEDHO C=CCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243949 825550860 /nfs/dbraw/zinc/55/08/60/825550860.db2.gz WVGKJQKFLGMEIR-NSHDSACASA-N 1 3 273.402 -0.034 20 30 CBEDHO C=CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243949 825550866 /nfs/dbraw/zinc/55/08/66/825550866.db2.gz WVGKJQKFLGMEIR-NSHDSACASA-N 1 3 273.402 -0.034 20 30 CBEDHO N#CCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242761 825551250 /nfs/dbraw/zinc/55/12/50/825551250.db2.gz QTJOOJMLTARKGJ-JTQLQIEISA-N 1 3 272.374 -0.696 20 30 CBEDHO C=CCOC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007155 825621222 /nfs/dbraw/zinc/62/12/22/825621222.db2.gz JCGOIYNUJJWGGC-QWRGUYRKSA-N 1 3 259.350 -0.878 20 30 CBEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028089 825626615 /nfs/dbraw/zinc/62/66/15/825626615.db2.gz ZUZCCXFNIWBUMN-CHWSQXEVSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028089 825626620 /nfs/dbraw/zinc/62/66/20/825626620.db2.gz ZUZCCXFNIWBUMN-CHWSQXEVSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028089 825626623 /nfs/dbraw/zinc/62/66/23/825626623.db2.gz ZUZCCXFNIWBUMN-CHWSQXEVSA-N 1 3 256.346 -0.827 20 30 CBEDHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCN[C@H](C#N)C1 ZINC001246513977 825679058 /nfs/dbraw/zinc/67/90/58/825679058.db2.gz XNWBSIWNHYKRNC-SRVKXCTJSA-N 1 3 267.377 -0.536 20 30 CBEDHO C#CCOC[C@H](O)C[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001251861042 825798703 /nfs/dbraw/zinc/79/87/03/825798703.db2.gz ZEIKTMAWJYKNCX-MELADBBJSA-N 1 3 252.358 -0.119 20 30 CBEDHO CC[NH2+]CCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001262034485 826626999 /nfs/dbraw/zinc/62/69/99/826626999.db2.gz FMNAFAYWUCCNET-AKJDGMEZSA-N 1 3 250.346 -0.149 20 30 CBEDHO C[NH2+][C@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC001262034761 826627106 /nfs/dbraw/zinc/62/71/06/826627106.db2.gz MXPWEGBMVQBMGS-BEVNXUHPSA-N 1 3 262.357 -0.054 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001265870166 826932208 /nfs/dbraw/zinc/93/22/08/826932208.db2.gz KMXLZYJCKNGHSR-NWDGAFQWSA-N 1 3 294.399 -0.700 20 30 CBEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711837 827409436 /nfs/dbraw/zinc/40/94/36/827409436.db2.gz WYKHSCDWOKTZOT-LBPRGKRZSA-N 1 3 294.399 -0.521 20 30 CBEDHO C=CC[NH2+]CCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001272265129 827774559 /nfs/dbraw/zinc/77/45/59/827774559.db2.gz LURUWDNMNBJQOJ-UHFFFAOYSA-N 1 3 252.318 -0.451 20 30 CBEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272306987 827779023 /nfs/dbraw/zinc/77/90/23/827779023.db2.gz HOAWFEYRGOTVOL-CYBMUJFWSA-N 1 3 267.373 -0.628 20 30 CBEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272306987 827779029 /nfs/dbraw/zinc/77/90/29/827779029.db2.gz HOAWFEYRGOTVOL-CYBMUJFWSA-N 1 3 267.373 -0.628 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001272444492 827799070 /nfs/dbraw/zinc/79/90/70/827799070.db2.gz USHOBRRYRRJDFH-STQMWFEESA-N 1 3 269.389 -0.337 20 30 CBEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001273322602 827889436 /nfs/dbraw/zinc/88/94/36/827889436.db2.gz HDQUDWRZHVIWKO-GFCCVEGCSA-N 1 3 264.329 -0.045 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001275039629 828051208 /nfs/dbraw/zinc/05/12/08/828051208.db2.gz VPWDJNJAIKHTJY-LLVKDONJSA-N 1 3 283.376 -0.939 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001277863637 828213942 /nfs/dbraw/zinc/21/39/42/828213942.db2.gz QLABRWPFKOMIKZ-QWHCGFSZSA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CCN(C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001331162304 886700958 /nfs/dbraw/zinc/70/09/58/886700958.db2.gz VRNQKKLWTNKZLW-UHFFFAOYSA-N 1 3 279.384 -0.220 20 30 CBEDHO C[C@H](CC[NH3+])NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001333177088 887551603 /nfs/dbraw/zinc/55/16/03/887551603.db2.gz BMMLMRCDSZIZKE-JJOYANBFSA-N 1 3 250.346 -0.021 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001343425727 889906718 /nfs/dbraw/zinc/90/67/18/889906718.db2.gz VPJNBTJGFMGKIZ-DGCLKSJQSA-N 1 3 269.389 -0.031 20 30 CBEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327857071 885503542 /nfs/dbraw/zinc/50/35/42/885503542.db2.gz RJBXXHVVDJJAME-QWRGUYRKSA-N 1 3 254.334 -0.498 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001328207453 885601684 /nfs/dbraw/zinc/60/16/84/885601684.db2.gz LSFXMVOLYVOOAA-CYBMUJFWSA-N 1 3 281.400 -0.097 20 30 CBEDHO CN(CCC#N)C[C@@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC001329425779 886060001 /nfs/dbraw/zinc/06/00/01/886060001.db2.gz AQZQGTYQFSDZIG-HNNXBMFYSA-N 1 3 298.431 -0.371 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331630779 886870932 /nfs/dbraw/zinc/87/09/32/886870932.db2.gz JQFCRXRMFYVAES-CHWSQXEVSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331630779 886870943 /nfs/dbraw/zinc/87/09/43/886870943.db2.gz JQFCRXRMFYVAES-CHWSQXEVSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001331787387 886983363 /nfs/dbraw/zinc/98/33/63/886983363.db2.gz IFKRLMYABBNHSE-OLZOCXBDSA-N 1 3 269.389 -0.029 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340617858 889456452 /nfs/dbraw/zinc/45/64/52/889456452.db2.gz ZEUWOPRXUXDUIU-DTWKUNHWSA-N 1 3 259.737 -0.297 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376390 889896510 /nfs/dbraw/zinc/89/65/10/889896510.db2.gz ZRDKMQIWDZQKNP-CYBMUJFWSA-N 1 3 280.372 -0.013 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001346236507 890247313 /nfs/dbraw/zinc/24/73/13/890247313.db2.gz HIGYDRHKCOPAFY-QWHCGFSZSA-N 1 3 256.346 -0.957 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001349370675 890802156 /nfs/dbraw/zinc/80/21/56/890802156.db2.gz FJRPKMWYVCJOJA-VXGBXAGGSA-N 1 3 295.387 -0.679 20 30 CBEDHO N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC001349808210 890895711 /nfs/dbraw/zinc/89/57/11/890895711.db2.gz MGEBANKFXMCSKQ-MRFPXMQZSA-N 1 3 262.357 -0.006 20 30 CBEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001502077178 921337160 /nfs/dbraw/zinc/33/71/60/921337160.db2.gz QHMMGJOFHLXQLU-OLZOCXBDSA-N 1 3 267.373 -0.223 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001502897697 921403647 /nfs/dbraw/zinc/40/36/47/921403647.db2.gz SXONOWPKZHTPID-UHFFFAOYSA-N 1 3 281.400 -0.097 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480237599 916343132 /nfs/dbraw/zinc/34/31/32/916343132.db2.gz FKUSKLANMSSQBD-TXEJJXNPSA-N 1 3 295.387 -0.797 20 30 CBEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481874209 917010191 /nfs/dbraw/zinc/01/01/91/917010191.db2.gz FSUIZYNTJYXGMJ-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481874209 917010203 /nfs/dbraw/zinc/01/02/03/917010203.db2.gz FSUIZYNTJYXGMJ-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001481876997 917010546 /nfs/dbraw/zinc/01/05/46/917010546.db2.gz YQNSOMTYVCCGDJ-NEPJUHHUSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001481876997 917010554 /nfs/dbraw/zinc/01/05/54/917010554.db2.gz YQNSOMTYVCCGDJ-NEPJUHHUSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CCOC)CC1 ZINC001482798669 917290614 /nfs/dbraw/zinc/29/06/14/917290614.db2.gz JAXWSMCGAZFGKI-CQSZACIVSA-N 1 3 297.399 -0.955 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484694816 917926283 /nfs/dbraw/zinc/92/62/83/917926283.db2.gz YHVMFIRMYGRAAO-ZDUSSCGKSA-N 1 3 267.373 -0.222 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001484694816 917926293 /nfs/dbraw/zinc/92/62/93/917926293.db2.gz YHVMFIRMYGRAAO-ZDUSSCGKSA-N 1 3 267.373 -0.222 20 30 CBEDHO C=CCN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485994573 918288752 /nfs/dbraw/zinc/28/87/52/918288752.db2.gz BMOINIMJYFZMIZ-GRYCIOLGSA-N 1 3 255.362 -0.421 20 30 CBEDHO C=CCN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485994573 918288768 /nfs/dbraw/zinc/28/87/68/918288768.db2.gz BMOINIMJYFZMIZ-GRYCIOLGSA-N 1 3 255.362 -0.421 20 30 CBEDHO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](CC)N(C)C ZINC001486052473 918345891 /nfs/dbraw/zinc/34/58/91/918345891.db2.gz IJKCGROOHQBMDS-NEPJUHHUSA-N 1 3 255.362 -0.583 20 30 CBEDHO C=CCN(C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348411 918441991 /nfs/dbraw/zinc/44/19/91/918441991.db2.gz ZRPBZYJDXKKKJP-GFCCVEGCSA-N 1 3 257.378 -0.125 20 30 CBEDHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001491637115 919238014 /nfs/dbraw/zinc/23/80/14/919238014.db2.gz IHTNZVVENFKNOF-NEPJUHHUSA-N 1 3 295.387 -0.938 20 30 CBEDHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001491637115 919238028 /nfs/dbraw/zinc/23/80/28/919238028.db2.gz IHTNZVVENFKNOF-NEPJUHHUSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149837 920033560 /nfs/dbraw/zinc/03/35/60/920033560.db2.gz NFUWAHVCTLTRSM-STQMWFEESA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001496249204 920049887 /nfs/dbraw/zinc/04/98/87/920049887.db2.gz NSWIECRHNFZYGC-CYBMUJFWSA-N 1 3 296.415 -0.488 20 30 CBEDHO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001496991870 920198368 /nfs/dbraw/zinc/19/83/68/920198368.db2.gz FFKSVELBYHVISQ-KGLIPLIRSA-N 1 3 299.415 -0.711 20 30 CBEDHO C#CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495586 920310297 /nfs/dbraw/zinc/31/02/97/920310297.db2.gz JNRSQQROHDYOSF-ZDUSSCGKSA-N 1 3 294.399 -0.874 20 30 CBEDHO C#CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495586 920310309 /nfs/dbraw/zinc/31/03/09/920310309.db2.gz JNRSQQROHDYOSF-ZDUSSCGKSA-N 1 3 294.399 -0.874 20 30 CBEDHO C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898560 920422975 /nfs/dbraw/zinc/42/29/75/920422975.db2.gz BPPONIVZCSAAKE-NEPJUHHUSA-N 1 3 282.388 -0.830 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567293210 354785726 /nfs/dbraw/zinc/78/57/26/354785726.db2.gz SQNGEZPKQWYKBO-LBPRGKRZSA-N 1 3 280.372 -0.769 20 30 CBEDHO CNC(=O)CCN(C)CC#CC[N@H+](C)CCC(=O)NC ZINC000276264281 193263602 /nfs/dbraw/zinc/26/36/02/193263602.db2.gz BNGHUCWMPISSOK-UHFFFAOYSA-N 1 3 282.388 -0.874 20 30 CBEDHO CNC(=O)CCN(C)CC#CC[N@@H+](C)CCC(=O)NC ZINC000276264281 193263603 /nfs/dbraw/zinc/26/36/03/193263603.db2.gz BNGHUCWMPISSOK-UHFFFAOYSA-N 1 3 282.388 -0.874 20 30 CBEDHO COC[C@@H](C)NC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000303884372 220325174 /nfs/dbraw/zinc/32/51/74/220325174.db2.gz MSNITUMLRWZCFK-GFCCVEGCSA-N 1 3 271.409 -0.437 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303985267 220325711 /nfs/dbraw/zinc/32/57/11/220325711.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 1 3 283.420 -0.294 20 30 CBEDHO C#CCN(C)CCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000491630456 420313295 /nfs/dbraw/zinc/31/32/95/420313295.db2.gz PFRQZFMICDRRGM-HNNXBMFYSA-N 1 3 282.432 -0.861 20 30 CBEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659706495 420454129 /nfs/dbraw/zinc/45/41/29/420454129.db2.gz LZXOUOACRLTSEH-LBPRGKRZSA-N 1 3 296.415 -0.133 20 30 CBEDHO C#CCNC(=O)CC[NH2+]C[C@H](O)CN1CCCCC1 ZINC000491653210 332266002 /nfs/dbraw/zinc/26/60/02/332266002.db2.gz NIHNSIAPSANZII-ZDUSSCGKSA-N 1 3 267.373 -0.438 20 30 CBEDHO C#CCNC(=O)CC[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000491739140 332318667 /nfs/dbraw/zinc/31/86/67/332318667.db2.gz NIHNSIAPSANZII-CYBMUJFWSA-N 1 3 267.373 -0.438 20 30 CBEDHO C#CCNC(=O)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000491784459 332347457 /nfs/dbraw/zinc/34/74/57/332347457.db2.gz POCZOCPOXNFILX-CYBMUJFWSA-N 1 3 294.399 -0.697 20 30 CBEDHO C#CCNC(=O)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491784459 332347458 /nfs/dbraw/zinc/34/74/58/332347458.db2.gz POCZOCPOXNFILX-CYBMUJFWSA-N 1 3 294.399 -0.697 20 30 CBEDHO C#CCNC(=O)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491784459 332347459 /nfs/dbraw/zinc/34/74/59/332347459.db2.gz POCZOCPOXNFILX-CYBMUJFWSA-N 1 3 294.399 -0.697 20 30 CBEDHO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000517567892 333102653 /nfs/dbraw/zinc/10/26/53/333102653.db2.gz WZUCYHGFUIODNU-KBPBESRZSA-N 1 3 284.404 -0.761 20 30 CBEDHO C#CCNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000808781871 582444469 /nfs/dbraw/zinc/44/44/69/582444469.db2.gz VJDLKEHFYMKBLO-UHFFFAOYSA-N 1 3 268.405 -0.449 20 30 CBEDHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CNC[C@H]2C#N)C1(C)C ZINC000834484980 583125155 /nfs/dbraw/zinc/12/51/55/583125155.db2.gz QMRBMFBRZOVRQQ-DEKYYXRVSA-N 1 3 280.372 -0.253 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000841909781 583176481 /nfs/dbraw/zinc/17/64/81/583176481.db2.gz HUOXVUSHCGTTBL-CHWSQXEVSA-N 1 3 282.388 -0.301 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848307953 583440627 /nfs/dbraw/zinc/44/06/27/583440627.db2.gz UDLCYTHXKORZFZ-LSDHHAIUSA-N 1 3 291.395 -0.391 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848307953 583440631 /nfs/dbraw/zinc/44/06/31/583440631.db2.gz UDLCYTHXKORZFZ-LSDHHAIUSA-N 1 3 291.395 -0.391 20 30 CBEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861768581 583785281 /nfs/dbraw/zinc/78/52/81/583785281.db2.gz 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ZINC000958724358 613130598 /nfs/dbraw/zinc/13/05/98/613130598.db2.gz NXIHNPQUCWLJCJ-LSDHHAIUSA-N 1 3 293.411 -0.240 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC)C[C@H]2O)CC1 ZINC000958724358 613130600 /nfs/dbraw/zinc/13/06/00/613130600.db2.gz NXIHNPQUCWLJCJ-LSDHHAIUSA-N 1 3 293.411 -0.240 20 30 CBEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979056275 613308403 /nfs/dbraw/zinc/30/84/03/613308403.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 1 3 261.369 -0.135 20 30 CBEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979056275 613308405 /nfs/dbraw/zinc/30/84/05/613308405.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 1 3 261.369 -0.135 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303780864 656139429 /nfs/dbraw/zinc/13/94/29/656139429.db2.gz LTKWGEATMIHPDJ-LBPRGKRZSA-N 1 3 281.404 -0.099 20 30 CBEDHO COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000303880951 656139798 /nfs/dbraw/zinc/13/97/98/656139798.db2.gz KKSIKSBGFZPLCN-CHWSQXEVSA-N 1 3 285.436 -0.191 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884642486 656253451 /nfs/dbraw/zinc/25/34/51/656253451.db2.gz KLKMVXQASVQXNT-NEPJUHHUSA-N 1 3 294.399 -0.299 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020178852 658022449 /nfs/dbraw/zinc/02/24/49/658022449.db2.gz GTZASFHZCATQBJ-AAVRWANBSA-N 1 3 277.368 -0.280 20 30 CBEDHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001118134425 812475021 /nfs/dbraw/zinc/47/50/21/812475021.db2.gz SPBWHKGSAZORPJ-NWDGAFQWSA-N 1 3 268.361 -0.156 20 30 CBEDHO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001321868541 803831200 /nfs/dbraw/zinc/83/12/00/803831200.db2.gz AGOCFZWIGWPLLD-LBPRGKRZSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC)CC1 ZINC001152330565 815115227 /nfs/dbraw/zinc/11/52/27/815115227.db2.gz RKOGDGQWNWLPDI-GFCCVEGCSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445824 815122283 /nfs/dbraw/zinc/12/22/83/815122283.db2.gz OMWRHPBDAUTTDZ-GFCCVEGCSA-N 1 3 282.388 -0.830 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@H]2O)CC1 ZINC001090832025 810572920 /nfs/dbraw/zinc/57/29/20/810572920.db2.gz XVFVFVKOFQXKJO-HUUCEWRRSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C[C@H]2O)CC1 ZINC001090832025 810572921 /nfs/dbraw/zinc/57/29/21/810572921.db2.gz XVFVFVKOFQXKJO-HUUCEWRRSA-N 1 3 293.411 -0.097 20 30 CBEDHO N#Cc1ncc(NC(=N)NCCCC[NH3+])nc1C#N ZINC001157098887 815405113 /nfs/dbraw/zinc/40/51/13/815405113.db2.gz FFCVBZRHOHXLAI-UHFFFAOYSA-N 1 3 258.289 -0.105 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076004 811014685 /nfs/dbraw/zinc/01/46/85/811014685.db2.gz DNOWUZMYHJIMCC-ZIAGYGMSSA-N 1 3 297.399 -0.861 20 30 CBEDHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001159854734 815600038 /nfs/dbraw/zinc/60/00/38/815600038.db2.gz RXIIJVYFMOCAJM-UHFFFAOYSA-N 1 3 295.387 -0.794 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643845 813739254 /nfs/dbraw/zinc/73/92/54/813739254.db2.gz NSTDAFGUBBZPJR-JHJVBQTASA-N 1 3 294.399 -0.830 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643845 813739256 /nfs/dbraw/zinc/73/92/56/813739256.db2.gz NSTDAFGUBBZPJR-JHJVBQTASA-N 1 3 294.399 -0.830 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128773854 813796722 /nfs/dbraw/zinc/79/67/22/813796722.db2.gz GOPUXMMWXHTWGG-CYBMUJFWSA-N 1 3 296.415 -0.131 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128773854 813796728 /nfs/dbraw/zinc/79/67/28/813796728.db2.gz GOPUXMMWXHTWGG-CYBMUJFWSA-N 1 3 296.415 -0.131 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128774231 813798070 /nfs/dbraw/zinc/79/80/70/813798070.db2.gz PPRSWJASKZDWCA-CYBMUJFWSA-N 1 3 294.399 -0.684 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128774231 813798079 /nfs/dbraw/zinc/79/80/79/813798079.db2.gz PPRSWJASKZDWCA-CYBMUJFWSA-N 1 3 294.399 -0.684 20 30 CBEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC#N ZINC001129849726 813871084 /nfs/dbraw/zinc/87/10/84/813871084.db2.gz RZEYOWWJQBTPQR-GFCCVEGCSA-N 1 3 295.387 -0.794 20 30 CBEDHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC#N ZINC001129849726 813871094 /nfs/dbraw/zinc/87/10/94/813871094.db2.gz RZEYOWWJQBTPQR-GFCCVEGCSA-N 1 3 295.387 -0.794 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950191 813883093 /nfs/dbraw/zinc/88/30/93/813883093.db2.gz OFOGRVDYABZIBH-OLZOCXBDSA-N 1 3 298.431 -0.031 20 30 CBEDHO CC[C@H](C(=O)NCC[NH2+]CC#CCOC)N(C)C ZINC001130202905 813918393 /nfs/dbraw/zinc/91/83/93/813918393.db2.gz BMCUIUMFAUATDE-GFCCVEGCSA-N 1 3 255.362 -0.318 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286129 814235796 /nfs/dbraw/zinc/23/57/96/814235796.db2.gz YSRQJSCZIXUFAY-GFCCVEGCSA-N 1 3 296.415 -0.275 20 30 CBEDHO COCC#CCNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287730 814235825 /nfs/dbraw/zinc/23/58/25/814235825.db2.gz NLHUTBRTKVHYHC-UHFFFAOYSA-N 1 3 267.373 -0.316 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845543 814307456 /nfs/dbraw/zinc/30/74/56/814307456.db2.gz IFYLLRHEIMYICZ-ZDUSSCGKSA-N 1 3 267.373 -0.316 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968126 814331443 /nfs/dbraw/zinc/33/14/43/814331443.db2.gz OOVMYFYWMZTORU-RYUDHWBXSA-N 1 3 282.388 -0.830 20 30 CBEDHO CC#CCNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117866 814439212 /nfs/dbraw/zinc/43/92/12/814439212.db2.gz AOXZHIDXSPXZJX-UHFFFAOYSA-N 1 3 277.372 -0.213 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159991651 815606549 /nfs/dbraw/zinc/60/65/49/815606549.db2.gz DEGOTDNUCRAFTA-UHFFFAOYSA-N 1 3 296.415 -0.131 20 30 CBEDHO N#C[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160879636 815683967 /nfs/dbraw/zinc/68/39/67/815683967.db2.gz RTGVJTJIOKKKTK-QWRGUYRKSA-N 1 3 252.318 -0.936 20 30 CBEDHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCOC[C@H]1C#N ZINC001160934250 815688226 /nfs/dbraw/zinc/68/82/26/815688226.db2.gz ZHJRTEBLNKITJO-NEPJUHHUSA-N 1 3 268.361 -0.203 20 30 CBEDHO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001161140531 815720348 /nfs/dbraw/zinc/72/03/48/815720348.db2.gz HXUQPYDVUWZUQL-CIUDSAMLSA-N 1 3 260.338 -0.532 20 30 CBEDHO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161140613 815720392 /nfs/dbraw/zinc/72/03/92/815720392.db2.gz IQROKFFYDUKXOC-GARJFASQSA-N 1 3 254.309 -0.224 20 30 CBEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001161537063 815767755 /nfs/dbraw/zinc/76/77/55/815767755.db2.gz OZJDIXHBDDKQEG-NWDGAFQWSA-N 1 3 298.387 -0.044 20 30 CBEDHO C#CCC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872253 815847260 /nfs/dbraw/zinc/84/72/60/815847260.db2.gz LXKCPKQRRHLSDT-BBBYJDLNSA-N 1 3 291.395 -0.031 20 30 CBEDHO CC#CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872051 815847673 /nfs/dbraw/zinc/84/76/73/815847673.db2.gz FKTPSCFRNJDVQV-BBBYJDLNSA-N 1 3 291.395 -0.031 20 30 CBEDHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)NCC#N)[NH+](C)C ZINC001317277814 816955921 /nfs/dbraw/zinc/95/59/21/816955921.db2.gz AGAMHLBDQNISQX-AAEUAGOBSA-N 1 3 297.403 -0.693 20 30 CBEDHO COCC#CCN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317287759 816959263 /nfs/dbraw/zinc/95/92/63/816959263.db2.gz CVQOOWHWQGVQIV-OLZOCXBDSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317287759 816959268 /nfs/dbraw/zinc/95/92/68/816959268.db2.gz CVQOOWHWQGVQIV-OLZOCXBDSA-N 1 3 267.373 -0.318 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001317655089 817040434 /nfs/dbraw/zinc/04/04/34/817040434.db2.gz PYHFFJQOLDLDSO-CHWSQXEVSA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001320219561 817297431 /nfs/dbraw/zinc/29/74/31/817297431.db2.gz YGEMMLMNECMQCM-CYBMUJFWSA-N 1 3 281.400 -0.049 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582362 821008133 /nfs/dbraw/zinc/00/81/33/821008133.db2.gz WKCSTZVWCABLIP-CHWSQXEVSA-N 1 3 296.415 -0.181 20 30 CBEDHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001186807596 821198561 /nfs/dbraw/zinc/19/85/61/821198561.db2.gz AYGTVYAXUAUDKS-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001186807596 821198569 /nfs/dbraw/zinc/19/85/69/821198569.db2.gz AYGTVYAXUAUDKS-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824649 821199489 /nfs/dbraw/zinc/19/94/89/821199489.db2.gz DDBHSSDTBSQLEG-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824649 821199493 /nfs/dbraw/zinc/19/94/93/821199493.db2.gz DDBHSSDTBSQLEG-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869331 824135654 /nfs/dbraw/zinc/13/56/54/824135654.db2.gz BERQSMZRQUOOOH-VXGBXAGGSA-N 1 3 255.362 -0.325 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057239 824341898 /nfs/dbraw/zinc/34/18/98/824341898.db2.gz FUHCLOYZYYVFCX-UONOGXRCSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057239 824341901 /nfs/dbraw/zinc/34/19/01/824341901.db2.gz FUHCLOYZYYVFCX-UONOGXRCSA-N 1 3 279.384 -0.222 20 30 CBEDHO N#Cc1c(NC(=O)CNCC[NH3+])sc2c1CCNC2 ZINC001218553864 824590540 /nfs/dbraw/zinc/59/05/40/824590540.db2.gz SPZSSEXXVMTBFY-UHFFFAOYSA-N 1 3 279.369 -0.248 20 30 CBEDHO N#Cc1nc[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218593691 824600188 /nfs/dbraw/zinc/60/01/88/824600188.db2.gz AYABRZRGEOKTBH-PRHODGIISA-N 1 3 260.301 -0.581 20 30 CBEDHO C#Cc1cnc(NC(=O)[C@@H](N)CCCC[NH3+])c(C#C)n1 ZINC001218657442 824618443 /nfs/dbraw/zinc/61/84/43/824618443.db2.gz LPWFCZCSHVKJBG-NSHDSACASA-N 1 3 271.324 -0.166 20 30 CBEDHO Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C#N)n1 ZINC001218668880 824619559 /nfs/dbraw/zinc/61/95/59/824619559.db2.gz UHWUAQQAYWBXND-NOZJJQNGSA-N 1 3 274.328 -0.571 20 30 CBEDHO Cn1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C#N)n1 ZINC001218667405 824620161 /nfs/dbraw/zinc/62/01/61/824620161.db2.gz FUBBFKRBIURNGD-LLVKDONJSA-N 1 3 262.317 -0.443 20 30 CBEDHO N#Cc1ccnnc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218700030 824623638 /nfs/dbraw/zinc/62/36/38/824623638.db2.gz BHUCVSNXDLSGSH-JTQLQIEISA-N 1 3 260.301 -0.386 20 30 CBEDHO N#CNC(=NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccncc1 ZINC001219972730 824925453 /nfs/dbraw/zinc/92/54/53/824925453.db2.gz VFMDKDBTARLOKG-IUODEOHRSA-N 1 3 298.350 -0.375 20 30 CBEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220043605 824942652 /nfs/dbraw/zinc/94/26/52/824942652.db2.gz YUBOFLXLVXZQRD-JTQLQIEISA-N 1 3 288.417 -0.796 20 30 CBEDHO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001220415748 825034228 /nfs/dbraw/zinc/03/42/28/825034228.db2.gz VJRJQNRIJSWYJL-QMMMGPOBSA-N 1 3 280.288 -0.626 20 30 CBEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220571630 825067107 /nfs/dbraw/zinc/06/71/07/825067107.db2.gz WHBRNEGZJNSOHK-JRPNMDOOSA-N 1 3 293.367 -0.581 20 30 CBEDHO CC(C)C[C@H](C#N)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220701292 825086276 /nfs/dbraw/zinc/08/62/76/825086276.db2.gz ZKRNYVGXNXMZBR-GHMZBOCLSA-N 1 3 250.346 -0.150 20 30 CBEDHO C=CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764657 825099257 /nfs/dbraw/zinc/09/92/57/825099257.db2.gz RKAHZALOZKCVAD-OLZOCXBDSA-N 1 3 285.388 -0.698 20 30 CBEDHO N#Cc1cnc(CNC(=O)[C@@H](N)CSCC[NH3+])s1 ZINC001220872072 825116969 /nfs/dbraw/zinc/11/69/69/825116969.db2.gz JDKLYAFUCVDGNZ-QMMMGPOBSA-N 1 3 285.398 -0.350 20 30 CBEDHO C=CC[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)OC ZINC001221381699 825179670 /nfs/dbraw/zinc/17/96/70/825179670.db2.gz JCQCQOPIGTWQOO-KCPJHIHWSA-N 1 3 295.383 -0.191 20 30 CBEDHO C=CCOC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252488779 825872707 /nfs/dbraw/zinc/87/27/07/825872707.db2.gz SFEWDUXIKPVMBF-AWEZNQCLSA-N 1 3 271.405 -0.223 20 30 CBEDHO C#CCNCC(=O)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001263201885 826752831 /nfs/dbraw/zinc/75/28/31/826752831.db2.gz NMHPVELDIHSQTJ-AWEZNQCLSA-N 1 3 273.340 -0.794 20 30 CBEDHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001266632671 827036345 /nfs/dbraw/zinc/03/63/45/827036345.db2.gz NATJDGDAQILBOE-SRVKXCTJSA-N 1 3 295.387 -0.797 20 30 CBEDHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)N(C)C ZINC001268330497 827305256 /nfs/dbraw/zinc/30/52/56/827305256.db2.gz KQTDFGJEPSNYIX-CHWSQXEVSA-N 1 3 285.388 -0.957 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCO)CC1 ZINC001270603914 827581362 /nfs/dbraw/zinc/58/13/62/827581362.db2.gz MZOUVXSZYNDPTK-ZDUSSCGKSA-N 1 3 281.400 -0.334 20 30 CBEDHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)N(C)C ZINC001271170251 827671756 /nfs/dbraw/zinc/67/17/56/827671756.db2.gz JGZNTRDXOZJIMY-VXGBXAGGSA-N 1 3 297.403 -0.597 20 30 CBEDHO C=CC[NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC001272257999 827775050 /nfs/dbraw/zinc/77/50/50/827775050.db2.gz AJRISSHEAUSDGH-CYBMUJFWSA-N 1 3 269.389 -0.075 20 30 CBEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274986218 828047640 /nfs/dbraw/zinc/04/76/40/828047640.db2.gz OLSQDTXSCVPICC-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274986218 828047647 /nfs/dbraw/zinc/04/76/47/828047647.db2.gz OLSQDTXSCVPICC-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001278773940 828287111 /nfs/dbraw/zinc/28/71/11/828287111.db2.gz NSUYMALVCZOLSN-QWHCGFSZSA-N 1 3 269.389 -0.241 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001326148498 884923692 /nfs/dbraw/zinc/92/36/92/884923692.db2.gz MZFVGVDZRWGTOO-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340617842 889456309 /nfs/dbraw/zinc/45/63/09/889456309.db2.gz ZEUWOPRXUXDUIU-BDAKNGLRSA-N 1 3 259.737 -0.297 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188146148 884721593 /nfs/dbraw/zinc/72/15/93/884721593.db2.gz WBZLRCCVPGDSOS-CYBMUJFWSA-N 1 3 294.399 -0.734 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001327580137 885413738 /nfs/dbraw/zinc/41/37/38/885413738.db2.gz GOHGBRVPUFDXNA-HNNXBMFYSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001328155726 885585891 /nfs/dbraw/zinc/58/58/91/885585891.db2.gz LTSLSCCHPPOEPO-CYBMUJFWSA-N 1 3 279.384 -0.343 20 30 CBEDHO CN(CCC#N)C[C@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC001329425780 886059340 /nfs/dbraw/zinc/05/93/40/886059340.db2.gz AQZQGTYQFSDZIG-OAHLLOKOSA-N 1 3 298.431 -0.371 20 30 CBEDHO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)N(C)C ZINC001331738744 886946643 /nfs/dbraw/zinc/94/66/43/886946643.db2.gz IJKCGROOHQBMDS-VXGBXAGGSA-N 1 3 255.362 -0.583 20 30 CBEDHO C[C@@H](C[NH3+])CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001331968419 887068483 /nfs/dbraw/zinc/06/84/83/887068483.db2.gz IIHHWAIPIOIKHK-URAGZPLESA-N 1 3 250.346 -0.163 20 30 CBEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001342724052 889822173 /nfs/dbraw/zinc/82/21/73/889822173.db2.gz SDHFTXIXEGAWNL-AAEUAGOBSA-N 1 3 255.362 -0.018 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001343425730 889906464 /nfs/dbraw/zinc/90/64/64/889906464.db2.gz VPJNBTJGFMGKIZ-YPMHNXCESA-N 1 3 269.389 -0.031 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001346492388 890305292 /nfs/dbraw/zinc/30/52/92/890305292.db2.gz ISKAFDDNNLFDQK-VXGBXAGGSA-N 1 3 268.361 -0.026 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001353299765 891394404 /nfs/dbraw/zinc/39/44/04/891394404.db2.gz HRGHOYOCHPZQGK-CYBMUJFWSA-N 1 3 252.362 -0.653 20 30 CBEDHO C[NH+](C)C[C@@](C)(O)CNC[C@@H](O)CC1(C#N)CC1 ZINC001353325456 891405277 /nfs/dbraw/zinc/40/52/77/891405277.db2.gz AYFPXBNPOMXCOT-RYUDHWBXSA-N 1 3 255.362 -0.057 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001456298775 914456301 /nfs/dbraw/zinc/45/63/01/914456301.db2.gz PKIKDFNXIUEUBH-CQSZACIVSA-N 1 3 291.395 -0.079 20 30 CBEDHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)N(C)C ZINC001507122595 921686147 /nfs/dbraw/zinc/68/61/47/921686147.db2.gz GLJNJGKBGROLNF-NEPJUHHUSA-N 1 3 297.403 -0.597 20 30 CBEDHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NCC#N ZINC001507117527 921681914 /nfs/dbraw/zinc/68/19/14/921681914.db2.gz IBNMFOMUJYEDON-LLVKDONJSA-N 1 3 283.376 -0.986 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001471631222 915608643 /nfs/dbraw/zinc/60/86/43/915608643.db2.gz VKQMQNQHPYDQCB-QWHCGFSZSA-N 1 3 264.373 -0.103 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001471631222 915608664 /nfs/dbraw/zinc/60/86/64/915608664.db2.gz VKQMQNQHPYDQCB-QWHCGFSZSA-N 1 3 264.373 -0.103 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001471631220 915610034 /nfs/dbraw/zinc/61/00/34/915610034.db2.gz VKQMQNQHPYDQCB-CHWSQXEVSA-N 1 3 264.373 -0.103 20 30 CBEDHO CN(C)CC#CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001471631220 915610039 /nfs/dbraw/zinc/61/00/39/915610039.db2.gz VKQMQNQHPYDQCB-CHWSQXEVSA-N 1 3 264.373 -0.103 20 30 CBEDHO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001482650060 917194957 /nfs/dbraw/zinc/19/49/57/917194957.db2.gz RNGSIRQTSMFKDS-AWEZNQCLSA-N 1 3 281.400 -0.022 20 30 CBEDHO C#CC[N@H+](C)CCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001482650060 917194964 /nfs/dbraw/zinc/19/49/64/917194964.db2.gz RNGSIRQTSMFKDS-AWEZNQCLSA-N 1 3 281.400 -0.022 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1CCC ZINC001482736404 917243410 /nfs/dbraw/zinc/24/34/10/917243410.db2.gz WTBFRNCIDVWTSA-STQMWFEESA-N 1 3 267.373 -0.439 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1CCC ZINC001482736402 917244693 /nfs/dbraw/zinc/24/46/93/917244693.db2.gz WTBFRNCIDVWTSA-OLZOCXBDSA-N 1 3 267.373 -0.439 20 30 CBEDHO CC#CCNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001484492148 917874669 /nfs/dbraw/zinc/87/46/69/917874669.db2.gz BBQSQKBEZKZGIG-UHFFFAOYSA-N 1 3 281.400 -0.238 20 30 CBEDHO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](CC)N(C)C ZINC001486052338 918344261 /nfs/dbraw/zinc/34/42/61/918344261.db2.gz FTAAIRQABUUCBA-RYUDHWBXSA-N 1 3 257.378 -0.031 20 30 CBEDHO C=CCN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053201 918345673 /nfs/dbraw/zinc/34/56/73/918345673.db2.gz WCCDCIDLMICYGT-RYUDHWBXSA-N 1 3 255.362 -0.419 20 30 CBEDHO C=CCN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053201 918345688 /nfs/dbraw/zinc/34/56/88/918345688.db2.gz WCCDCIDLMICYGT-RYUDHWBXSA-N 1 3 255.362 -0.419 20 30 CBEDHO C=CCN1CC[C@@H](N[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568728 919208338 /nfs/dbraw/zinc/20/83/38/919208338.db2.gz MKXJOJMHLPOXTC-CHWSQXEVSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC(=O)NC)CC1 ZINC001491683272 919251013 /nfs/dbraw/zinc/25/10/13/919251013.db2.gz RGKDRQARWGMUOD-LBPRGKRZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]C(C)C)CC1 ZINC001497120526 920255638 /nfs/dbraw/zinc/25/56/38/920255638.db2.gz ZOQYVJWLFUDFKV-CQSZACIVSA-N 1 3 281.400 -0.193 20 30 CBEDHO C#CCNC/C=C/CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497697391 920373436 /nfs/dbraw/zinc/37/34/36/920373436.db2.gz MGUIBBHBKOGART-AATRIKPKSA-N 1 3 289.383 -0.047 20 30 CBEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817926 920404325 /nfs/dbraw/zinc/40/43/25/920404325.db2.gz MMMRJSRFVVNZDL-IJLUTSLNSA-N 1 3 295.387 -0.939 20 30 CBEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497817926 920404336 /nfs/dbraw/zinc/40/43/36/920404336.db2.gz MMMRJSRFVVNZDL-IJLUTSLNSA-N 1 3 295.387 -0.939 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCO)CC1 ZINC001497991027 920433111 /nfs/dbraw/zinc/43/31/11/920433111.db2.gz RCZLYFJZWKXUMZ-GFCCVEGCSA-N 1 3 267.373 -0.582 20 30 CBEDHO C#CC[NH2+]CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001521195214 922340426 /nfs/dbraw/zinc/34/04/26/922340426.db2.gz OWCGIEBBYBEIKP-CHWSQXEVSA-N 1 3 267.373 -0.175 20 30 CBEDHO C#CCNCC(=O)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC001522482367 922420369 /nfs/dbraw/zinc/42/03/69/922420369.db2.gz NPIFEAZWBQFSTM-UHFFFAOYSA-N 1 3 287.367 -0.404 20 30 CBEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180339 351580252 /nfs/dbraw/zinc/58/02/52/351580252.db2.gz FNRPILSJEYCODQ-RYUDHWBXSA-N 1 3 282.388 -0.536 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000579834184 354979753 /nfs/dbraw/zinc/97/97/53/354979753.db2.gz PSAVDWGDPYZSBX-NWDGAFQWSA-N 1 3 296.415 -0.005 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579834187 354979839 /nfs/dbraw/zinc/97/98/39/354979839.db2.gz PSAVDWGDPYZSBX-VXGBXAGGSA-N 1 3 296.415 -0.005 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000594444359 355248632 /nfs/dbraw/zinc/24/86/32/355248632.db2.gz PWEOBTQMEJXCQG-KBPBESRZSA-N 1 3 293.415 -0.096 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000594444362 355248714 /nfs/dbraw/zinc/24/87/14/355248714.db2.gz PWEOBTQMEJXCQG-ZIAGYGMSSA-N 1 3 293.415 -0.096 20 30 CBEDHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)CCCCC#N ZINC000594424596 355247775 /nfs/dbraw/zinc/24/77/75/355247775.db2.gz GQSSJZMSSZOPQC-CYBMUJFWSA-N 1 3 281.404 -0.239 20 30 CBEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000627386463 356637425 /nfs/dbraw/zinc/63/74/25/356637425.db2.gz PCCVKXMPOLHLMK-UHFFFAOYSA-N 1 3 296.415 -0.050 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263127975 220260961 /nfs/dbraw/zinc/26/09/61/220260961.db2.gz FYMVBZQRSZWREP-LLVKDONJSA-N 1 3 265.365 -0.296 20 30 CBEDHO COC[C@H](C)NC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000303884374 220325985 /nfs/dbraw/zinc/32/59/85/220325985.db2.gz MSNITUMLRWZCFK-LBPRGKRZSA-N 1 3 271.409 -0.437 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011839 276170715 /nfs/dbraw/zinc/17/07/15/276170715.db2.gz UJMLPTQVGAPWKU-VXGBXAGGSA-N 1 3 270.377 -0.210 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCn1cncn1 ZINC000264149555 276184278 /nfs/dbraw/zinc/18/42/78/276184278.db2.gz YVPJXCUFYSNGOP-NSHDSACASA-N 1 3 265.365 -0.333 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758927 276371200 /nfs/dbraw/zinc/37/12/00/276371200.db2.gz FFZOBYVJSJSYBX-KGLIPLIRSA-N 1 3 294.447 -0.625 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262728027 276371399 /nfs/dbraw/zinc/37/13/99/276371399.db2.gz HPNUVACYOXJBAB-SCRDCRAPSA-N 1 3 284.404 -0.085 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000491733074 332314247 /nfs/dbraw/zinc/31/42/47/332314247.db2.gz BDAUNVQPJXHLCX-OLZOCXBDSA-N 1 3 264.373 -0.055 20 30 CBEDHO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000517567893 333102759 /nfs/dbraw/zinc/10/27/59/333102759.db2.gz WZUCYHGFUIODNU-KGLIPLIRSA-N 1 3 284.404 -0.761 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000153060544 334550195 /nfs/dbraw/zinc/55/01/95/334550195.db2.gz AHNHKTQGYDLPNR-OAHLLOKOSA-N 1 3 281.400 -0.240 20 30 CBEDHO C#CCNC(=O)CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000819054701 582525450 /nfs/dbraw/zinc/52/54/50/582525450.db2.gz RXJTVZDQOHKGQV-CQSZACIVSA-N 1 3 292.427 -0.116 20 30 CBEDHO N#C[C@H]1CNC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485627 583125107 /nfs/dbraw/zinc/12/51/07/583125107.db2.gz ZNORFALJRPQDDH-RWMBFGLXSA-N 1 3 258.325 -0.216 20 30 CBEDHO COCCN(C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863851 583563747 /nfs/dbraw/zinc/56/37/47/583563747.db2.gz JOUOUFVWTSBHLJ-UHFFFAOYSA-N 1 3 267.373 -0.316 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000852998082 583576774 /nfs/dbraw/zinc/57/67/74/583576774.db2.gz MZUHOOULTHASQT-UHFFFAOYSA-N 1 3 263.341 -0.810 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855699354 583647827 /nfs/dbraw/zinc/64/78/27/583647827.db2.gz ZDVOIGATILRWJT-UHFFFAOYSA-N 1 3 284.404 -0.417 20 30 CBEDHO C=C1[C@@H](C(=O)NCCN(C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000866116955 583916537 /nfs/dbraw/zinc/91/65/37/583916537.db2.gz XHRQYKDWBRJNQT-VXGBXAGGSA-N 1 3 282.388 -0.856 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869029 584151287 /nfs/dbraw/zinc/15/12/87/584151287.db2.gz BCUJCORVVPKJIS-NXEZZACHSA-N 1 3 261.753 -0.049 20 30 CBEDHO C#CC1(O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000895666861 584684319 /nfs/dbraw/zinc/68/43/19/584684319.db2.gz SXADIQPUCUYUIM-ZDUSSCGKSA-N 1 3 296.415 -0.352 20 30 CBEDHO C#CC1(O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000895666861 584684320 /nfs/dbraw/zinc/68/43/20/584684320.db2.gz SXADIQPUCUYUIM-ZDUSSCGKSA-N 1 3 296.415 -0.352 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)CC1 ZINC000980478008 613129090 /nfs/dbraw/zinc/12/90/90/613129090.db2.gz LYIHNPPQIJXOBG-OAHLLOKOSA-N 1 3 293.411 -0.143 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)CC1 ZINC000980478008 613129091 /nfs/dbraw/zinc/12/90/91/613129091.db2.gz LYIHNPPQIJXOBG-OAHLLOKOSA-N 1 3 293.411 -0.143 20 30 CBEDHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000303371358 656138816 /nfs/dbraw/zinc/13/88/16/656138816.db2.gz KXKZDAZVTUCENA-KBPBESRZSA-N 1 3 297.447 -0.047 20 30 CBEDHO COCCNC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000303385975 656138982 /nfs/dbraw/zinc/13/89/82/656138982.db2.gz WDQGCBOERHQQTQ-GFCCVEGCSA-N 1 3 271.409 -0.579 20 30 CBEDHO CCCNC(=O)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303775078 656139792 /nfs/dbraw/zinc/13/97/92/656139792.db2.gz GPGTUFQMGMDNMR-LLVKDONJSA-N 1 3 269.393 -0.099 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979842 656140117 /nfs/dbraw/zinc/14/01/17/656140117.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 1 3 285.436 -0.047 20 30 CBEDHO C#CCN(C)CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908437496 656726579 /nfs/dbraw/zinc/72/65/79/656726579.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CCN(C)CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908437496 656726608 /nfs/dbraw/zinc/72/66/08/656726608.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 1 3 281.400 -0.096 20 30 CBEDHO C=CCCC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000911693823 657105263 /nfs/dbraw/zinc/10/52/63/657105263.db2.gz OSUZJJREZJIWHM-GFCCVEGCSA-N 1 3 254.378 -0.309 20 30 CBEDHO C=C(CC[NH+](C)C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000912054947 657189184 /nfs/dbraw/zinc/18/91/84/657189184.db2.gz VLWKBKPTEXOUNC-QWHCGFSZSA-N 1 3 267.373 -0.228 20 30 CBEDHO CN(C)CC#CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913524021 657492612 /nfs/dbraw/zinc/49/26/12/657492612.db2.gz WQRVJJVDPZIZEN-QWHCGFSZSA-N 1 3 265.357 -0.469 20 30 CBEDHO CN(C)CC#CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913524021 657492619 /nfs/dbraw/zinc/49/26/19/657492619.db2.gz WQRVJJVDPZIZEN-QWHCGFSZSA-N 1 3 265.357 -0.469 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001022121604 790992269 /nfs/dbraw/zinc/99/22/69/790992269.db2.gz GTZASFHZCATQBJ-CRWXNKLISA-N 1 3 277.368 -0.280 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900261 814926070 /nfs/dbraw/zinc/92/60/70/814926070.db2.gz KVLCMZAWQPWERA-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900261 814926075 /nfs/dbraw/zinc/92/60/75/814926075.db2.gz KVLCMZAWQPWERA-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900262 814926859 /nfs/dbraw/zinc/92/68/59/814926859.db2.gz KVLCMZAWQPWERA-QWHCGFSZSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900262 814926866 /nfs/dbraw/zinc/92/68/66/814926866.db2.gz KVLCMZAWQPWERA-QWHCGFSZSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCO)CC1 ZINC001028334045 799124551 /nfs/dbraw/zinc/12/45/51/799124551.db2.gz VIBCHTMEKBNRHY-HNNXBMFYSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001028334045 799124555 /nfs/dbraw/zinc/12/45/55/799124555.db2.gz VIBCHTMEKBNRHY-HNNXBMFYSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688859 799534197 /nfs/dbraw/zinc/53/41/97/799534197.db2.gz MRHOECXDNNEISV-LSDHHAIUSA-N 1 3 291.395 -0.079 20 30 CBEDHO C#CCCN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688859 799534199 /nfs/dbraw/zinc/53/41/99/799534199.db2.gz MRHOECXDNNEISV-LSDHHAIUSA-N 1 3 291.395 -0.079 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357527 813837821 /nfs/dbraw/zinc/83/78/21/813837821.db2.gz NSDQJNVNTWSFQM-UHFFFAOYSA-N 1 3 267.373 -0.174 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415804 814249744 /nfs/dbraw/zinc/24/97/44/814249744.db2.gz PDVLNPMZIORQKG-CYBMUJFWSA-N 1 3 269.389 -0.072 20 30 CBEDHO CCCN(C)CC(=O)NCC[NH2+]CC#CCOC ZINC001148638746 814954297 /nfs/dbraw/zinc/95/42/97/814954297.db2.gz PXDVXHPMTBJKFB-UHFFFAOYSA-N 1 3 255.362 -0.316 20 30 CBEDHO COCC#CCNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321739743 803808351 /nfs/dbraw/zinc/80/83/51/803808351.db2.gz KJZOFAUPYPIACZ-CHWSQXEVSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321739743 803808362 /nfs/dbraw/zinc/80/83/62/803808362.db2.gz KJZOFAUPYPIACZ-CHWSQXEVSA-N 1 3 267.373 -0.318 20 30 CBEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151058182 815054154 /nfs/dbraw/zinc/05/41/54/815054154.db2.gz XCWGPOYEFPYOCV-STQMWFEESA-N 1 3 294.399 -0.569 20 30 CBEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151058182 815054161 /nfs/dbraw/zinc/05/41/61/815054161.db2.gz XCWGPOYEFPYOCV-STQMWFEESA-N 1 3 294.399 -0.569 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072930 815056011 /nfs/dbraw/zinc/05/60/11/815056011.db2.gz AODNMPXJRFELOV-VXGBXAGGSA-N 1 3 282.388 -0.665 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072930 815056019 /nfs/dbraw/zinc/05/60/19/815056019.db2.gz AODNMPXJRFELOV-VXGBXAGGSA-N 1 3 282.388 -0.665 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001152330709 815115235 /nfs/dbraw/zinc/11/52/35/815115235.db2.gz TUDYCLCXRKSTQT-CYBMUJFWSA-N 1 3 294.399 -0.699 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090544544 810520396 /nfs/dbraw/zinc/52/03/96/810520396.db2.gz WABIFIIPGDZPFP-LSDHHAIUSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@@H]2O)CC1 ZINC001090832024 810571464 /nfs/dbraw/zinc/57/14/64/810571464.db2.gz XVFVFVKOFQXKJO-GJZGRUSLSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@@H]2O)CC1 ZINC001090832024 810571475 /nfs/dbraw/zinc/57/14/75/810571475.db2.gz XVFVFVKOFQXKJO-GJZGRUSLSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CCO)C2)CC1 ZINC001091377611 810604676 /nfs/dbraw/zinc/60/46/76/810604676.db2.gz PNLMLCXAPAGFHB-UHFFFAOYSA-N 1 3 293.411 -0.192 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971302 810980573 /nfs/dbraw/zinc/98/05/73/810980573.db2.gz FIBWXJIPUZNQAW-ZIAGYGMSSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100048795 811004503 /nfs/dbraw/zinc/00/45/03/811004503.db2.gz RCHKPLAWJMHTGQ-ZIAGYGMSSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100048795 811004512 /nfs/dbraw/zinc/00/45/12/811004512.db2.gz RCHKPLAWJMHTGQ-ZIAGYGMSSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CC[NH2+]CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC001121902671 813087267 /nfs/dbraw/zinc/08/72/67/813087267.db2.gz BYHDSDRJKALJJK-CYBMUJFWSA-N 1 3 267.373 -0.318 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065788 813710057 /nfs/dbraw/zinc/71/00/57/813710057.db2.gz FIWSXXRYECHDDN-CYBMUJFWSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065788 813710063 /nfs/dbraw/zinc/71/00/63/813710063.db2.gz FIWSXXRYECHDDN-CYBMUJFWSA-N 1 3 294.399 -0.686 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474196 813731937 /nfs/dbraw/zinc/73/19/37/813731937.db2.gz JAQKQQVAEUFMOF-CYBMUJFWSA-N 1 3 294.399 -0.664 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481298 813733377 /nfs/dbraw/zinc/73/33/77/813733377.db2.gz RAWSPAUHAIUXSZ-CQSZACIVSA-N 1 3 279.384 -0.316 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780534 813748375 /nfs/dbraw/zinc/74/83/75/813748375.db2.gz ZQAHHKLUYRJMCV-KGLIPLIRSA-N 1 3 295.383 -0.795 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780534 813748380 /nfs/dbraw/zinc/74/83/80/813748380.db2.gz ZQAHHKLUYRJMCV-KGLIPLIRSA-N 1 3 295.383 -0.795 20 30 CBEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001128774897 813796594 /nfs/dbraw/zinc/79/65/94/813796594.db2.gz YGMAWTDTYHXANY-LBPRGKRZSA-N 1 3 295.387 -0.794 20 30 CBEDHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001128774897 813796601 /nfs/dbraw/zinc/79/66/01/813796601.db2.gz YGMAWTDTYHXANY-LBPRGKRZSA-N 1 3 295.387 -0.794 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535186 813850737 /nfs/dbraw/zinc/85/07/37/813850737.db2.gz KVTZXNJNYLQYJO-GFCCVEGCSA-N 1 3 296.415 -0.133 20 30 CBEDHO COCC#CCNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947220 813882212 /nfs/dbraw/zinc/88/22/12/813882212.db2.gz PDVLNPMZIORQKG-ZDUSSCGKSA-N 1 3 269.389 -0.072 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130200097 813916610 /nfs/dbraw/zinc/91/66/10/813916610.db2.gz DHOJTZDXSDQTPX-VXGBXAGGSA-N 1 3 284.404 -0.277 20 30 CBEDHO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130200096 813916946 /nfs/dbraw/zinc/91/69/46/813916946.db2.gz DHOJTZDXSDQTPX-NWDGAFQWSA-N 1 3 284.404 -0.277 20 30 CBEDHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC#N ZINC001130419041 813939514 /nfs/dbraw/zinc/93/95/14/813939514.db2.gz JFHXNXIZZLQOFI-UHFFFAOYSA-N 1 3 283.376 -0.938 20 30 CBEDHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC#N ZINC001130419041 813939522 /nfs/dbraw/zinc/93/95/22/813939522.db2.gz JFHXNXIZZLQOFI-UHFFFAOYSA-N 1 3 283.376 -0.938 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051943 814211931 /nfs/dbraw/zinc/21/19/31/814211931.db2.gz VYXWFLBDEOKKAV-LBPRGKRZSA-N 1 3 284.404 -0.275 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051394 814212858 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294.399 -0.734 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385574 821126779 /nfs/dbraw/zinc/12/67/79/821126779.db2.gz SKKLZPGHUCOJEG-GFCCVEGCSA-N 1 3 282.388 -0.569 20 30 CBEDHO C#CCNCCN(CCO)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001279731260 828336220 /nfs/dbraw/zinc/33/62/20/828336220.db2.gz NYVKRBRGBPBZJC-CQSZACIVSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CCNCCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001279731260 828336231 /nfs/dbraw/zinc/33/62/31/828336231.db2.gz NYVKRBRGBPBZJC-CQSZACIVSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001280681649 828371028 /nfs/dbraw/zinc/37/10/28/828371028.db2.gz KIVNDDDGGZPHIA-CYBMUJFWSA-N 1 3 267.373 -0.223 20 30 CBEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187284252 822263555 /nfs/dbraw/zinc/26/35/55/822263555.db2.gz LZXLKUOAJMGYQW-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834775 822298777 /nfs/dbraw/zinc/29/87/77/822298777.db2.gz 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ULCUEMQSWLOBCT-ZDUSSCGKSA-N 1 3 296.415 -0.304 20 30 CBEDHO CN(C)CC#CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001256585778 826026537 /nfs/dbraw/zinc/02/65/37/826026537.db2.gz ULCUEMQSWLOBCT-ZDUSSCGKSA-N 1 3 296.415 -0.304 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001261461020 826518027 /nfs/dbraw/zinc/51/80/27/826518027.db2.gz WBCYCXZMBUFZBK-LLVKDONJSA-N 1 3 253.350 -0.971 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265458446 826895251 /nfs/dbraw/zinc/89/52/51/826895251.db2.gz XMUVDMUMQLBLFE-ZDUSSCGKSA-N 1 3 294.399 -0.425 20 30 CBEDHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001265484737 826899147 /nfs/dbraw/zinc/89/91/47/826899147.db2.gz NATJDGDAQILBOE-IJLUTSLNSA-N 1 3 295.387 -0.797 20 30 CBEDHO COCC#CCNC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001268614848 827381317 /nfs/dbraw/zinc/38/13/17/827381317.db2.gz ZQYZUQJWCBVBAR-IHWYPQMZSA-N 1 3 291.395 -0.006 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268717313 827411196 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C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)N(C)C ZINC001278826392 828293290 /nfs/dbraw/zinc/29/32/90/828293290.db2.gz FMMJCWLPTBBDEW-NEPJUHHUSA-N 1 3 255.362 -0.631 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001278826393 828293666 /nfs/dbraw/zinc/29/36/66/828293666.db2.gz FMMJCWLPTBBDEW-NWDGAFQWSA-N 1 3 255.362 -0.631 20 30 CBEDHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)CCCC#N ZINC001330608067 886502833 /nfs/dbraw/zinc/50/28/33/886502833.db2.gz LVRKADOENHMIQU-LLVKDONJSA-N 1 3 256.350 -0.298 20 30 CBEDHO C[C@@H](CC[NH3+])NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001333177089 887552993 /nfs/dbraw/zinc/55/29/93/887552993.db2.gz BMMLMRCDSZIZKE-MSLYCWSTSA-N 1 3 250.346 -0.021 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340854469 889498004 /nfs/dbraw/zinc/49/80/04/889498004.db2.gz TZMLBQCDRFODSH-GXTWGEPZSA-N 1 3 267.373 -0.134 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC001326091048 884903511 /nfs/dbraw/zinc/90/35/11/884903511.db2.gz IORMLCMJZIQKHN-ZDUSSCGKSA-N 1 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286.807 -0.038 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884642489 584392542 /nfs/dbraw/zinc/39/25/42/584392542.db2.gz KLKMVXQASVQXNT-VXGBXAGGSA-N 1 3 294.399 -0.299 20 30 CBEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000969407730 612963557 /nfs/dbraw/zinc/96/35/57/612963557.db2.gz SLGOZLOFYSYMEN-MYMJJRTCSA-N 1 3 289.379 -0.327 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000970792789 613129004 /nfs/dbraw/zinc/12/90/04/613129004.db2.gz VYCGQTSQNPFLDE-CYBMUJFWSA-N 1 3 292.383 -0.993 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781491 656141499 /nfs/dbraw/zinc/14/14/99/656141499.db2.gz OZKMJBIFMXEPAD-LBPRGKRZSA-N 1 3 297.403 -0.766 20 30 CBEDHO C=CCCC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879517 657154653 /nfs/dbraw/zinc/15/46/53/657154653.db2.gz MZBHWOAHGZJWOW-NWDGAFQWSA-N 1 3 254.378 -0.229 20 30 CBEDHO CN(C)CC#CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913524019 657492558 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CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)CCC ZINC001486313695 918423802 /nfs/dbraw/zinc/42/38/02/918423802.db2.gz FJVBWZYWSRCZOU-ZDUSSCGKSA-N 1 3 269.389 -0.240 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001490829431 918976889 /nfs/dbraw/zinc/97/68/89/918976889.db2.gz MLTXOTVLOIJTJP-QWHCGFSZSA-N 1 3 294.399 -0.734 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793833 919619655 /nfs/dbraw/zinc/61/96/55/919619655.db2.gz NHFFZZLYSXJRQY-QWHCGFSZSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793833 919619668 /nfs/dbraw/zinc/61/96/68/919619668.db2.gz NHFFZZLYSXJRQY-QWHCGFSZSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCN1CC[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498106807 920482622 /nfs/dbraw/zinc/48/26/22/920482622.db2.gz WQTBOKSSNCFJBO-QWHCGFSZSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498168345 920509114 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C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900260 814924995 /nfs/dbraw/zinc/92/49/95/814924995.db2.gz KVLCMZAWQPWERA-CHWSQXEVSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432245 /nfs/dbraw/zinc/43/22/45/806432245.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 1 3 279.384 -0.345 20 30 CBEDHO C#CCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432265 /nfs/dbraw/zinc/43/22/65/806432265.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 1 3 279.384 -0.345 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCO)CC1 ZINC001028334047 799124716 /nfs/dbraw/zinc/12/47/16/799124716.db2.gz VIBCHTMEKBNRHY-OAHLLOKOSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCO)CC1 ZINC001028334047 799124720 /nfs/dbraw/zinc/12/47/20/799124720.db2.gz VIBCHTMEKBNRHY-OAHLLOKOSA-N 1 3 293.411 -0.096 20 30 CBEDHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134424 812475287 /nfs/dbraw/zinc/47/52/87/812475287.db2.gz SPBWHKGSAZORPJ-NEPJUHHUSA-N 1 3 268.361 -0.156 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365371 814941747 /nfs/dbraw/zinc/94/17/47/814941747.db2.gz NPCWSBOAFFZUPK-ZDUSSCGKSA-N 1 3 296.415 -0.438 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148570552 814951644 /nfs/dbraw/zinc/95/16/44/814951644.db2.gz GJKAKWUYXWFGOG-UHFFFAOYSA-N 1 3 284.404 -0.274 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148570552 814951648 /nfs/dbraw/zinc/95/16/48/814951648.db2.gz GJKAKWUYXWFGOG-UHFFFAOYSA-N 1 3 284.404 -0.274 20 30 CBEDHO COCC#CCNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321739745 803808474 /nfs/dbraw/zinc/80/84/74/803808474.db2.gz KJZOFAUPYPIACZ-OLZOCXBDSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321739745 803808484 /nfs/dbraw/zinc/80/84/84/803808484.db2.gz KJZOFAUPYPIACZ-OLZOCXBDSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001325763415 804313699 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C[NH2+]C[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001119298653 812747124 /nfs/dbraw/zinc/74/71/24/812747124.db2.gz FJSCJYAEZQLZDZ-JJOYANBFSA-N 1 3 250.346 -0.150 20 30 CBEDHO C=CC[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001122062968 813110179 /nfs/dbraw/zinc/11/01/79/813110179.db2.gz HBAMBJBAYJYDLY-FZMZJTMJSA-N 1 3 265.357 -0.068 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866333 813490038 /nfs/dbraw/zinc/49/00/38/813490038.db2.gz AFXQLGLKCXUEOM-NEPJUHHUSA-N 1 3 282.388 -0.523 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685767 813741776 /nfs/dbraw/zinc/74/17/76/813741776.db2.gz SQVBDIGYVVNHCF-VXGBXAGGSA-N 1 3 282.388 -0.665 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685767 813741777 /nfs/dbraw/zinc/74/17/77/813741777.db2.gz SQVBDIGYVVNHCF-VXGBXAGGSA-N 1 3 282.388 -0.665 20 30 CBEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001128774896 813797504 /nfs/dbraw/zinc/79/75/04/813797504.db2.gz 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ZINC001133868107 814316286 /nfs/dbraw/zinc/31/62/86/814316286.db2.gz ZEZQXTRTOIUXNU-NEPJUHHUSA-N 1 3 282.388 -0.808 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133868107 814316292 /nfs/dbraw/zinc/31/62/92/814316292.db2.gz ZEZQXTRTOIUXNU-NEPJUHHUSA-N 1 3 282.388 -0.808 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719306 814845910 /nfs/dbraw/zinc/84/59/10/814845910.db2.gz PKZQMAFENCASMM-UHFFFAOYSA-N 1 3 270.377 -0.664 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719306 814845916 /nfs/dbraw/zinc/84/59/16/814845916.db2.gz PKZQMAFENCASMM-UHFFFAOYSA-N 1 3 270.377 -0.664 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876951 814920946 /nfs/dbraw/zinc/92/09/46/814920946.db2.gz AELUGJOJNVFQQY-LBPRGKRZSA-N 1 3 282.388 -0.664 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876951 814920950 /nfs/dbraw/zinc/92/09/50/814920950.db2.gz AELUGJOJNVFQQY-LBPRGKRZSA-N 1 3 282.388 -0.664 20 30 CBEDHO C=CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160431706 815621046 /nfs/dbraw/zinc/62/10/46/815621046.db2.gz BAWLFGRUYCQJKF-UKRRQHHQSA-N 1 3 278.400 -0.484 20 30 CBEDHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N(C)C ZINC001160882871 815683450 /nfs/dbraw/zinc/68/34/50/815683450.db2.gz AGDJMPLSXKKOQX-LLVKDONJSA-N 1 3 283.376 -0.938 20 30 CBEDHO N#C[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160879637 815683852 /nfs/dbraw/zinc/68/38/52/815683852.db2.gz RTGVJTJIOKKKTK-WDEREUQCSA-N 1 3 252.318 -0.936 20 30 CBEDHO C#CC1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160913292 815686834 /nfs/dbraw/zinc/68/68/34/815686834.db2.gz VJBPGRKWWFTQSC-NSHDSACASA-N 1 3 255.387 -0.123 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160933517 815688261 /nfs/dbraw/zinc/68/82/61/815688261.db2.gz LNKCLCXTJOVUTR-VXGBXAGGSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160933517 815688266 /nfs/dbraw/zinc/68/82/66/815688266.db2.gz LNKCLCXTJOVUTR-VXGBXAGGSA-N 1 3 278.356 -0.388 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC001293590686 816521382 /nfs/dbraw/zinc/52/13/82/816521382.db2.gz WGSNTNBNGXUWJS-GFCCVEGCSA-N 1 3 255.362 -0.059 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317064988 816925552 /nfs/dbraw/zinc/92/55/52/816925552.db2.gz MLTXOTVLOIJTJP-STQMWFEESA-N 1 3 294.399 -0.734 20 30 CBEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317065207 816925571 /nfs/dbraw/zinc/92/55/71/816925571.db2.gz MOHLIPUDKJARON-ZDUSSCGKSA-N 1 3 296.415 -0.179 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001317282435 816957433 /nfs/dbraw/zinc/95/74/33/816957433.db2.gz ISXYPBNALFUNBW-NWDGAFQWSA-N 1 3 282.388 -0.830 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281595 816957766 /nfs/dbraw/zinc/95/77/66/816957766.db2.gz DSDJVSSYYDDUJZ-QWHCGFSZSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317281595 816957771 /nfs/dbraw/zinc/95/77/71/816957771.db2.gz DSDJVSSYYDDUJZ-QWHCGFSZSA-N 1 3 296.415 -0.275 20 30 CBEDHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001317301139 816962099 /nfs/dbraw/zinc/96/20/99/816962099.db2.gz ADRZESKUNHAMDQ-NWDGAFQWSA-N 1 3 295.387 -0.843 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1CCC ZINC001320227661 817298981 /nfs/dbraw/zinc/29/89/81/817298981.db2.gz SQTUBUDYXKQYQW-KBPBESRZSA-N 1 3 281.400 -0.049 20 30 CBEDHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N(C)C ZINC001166004511 819989016 /nfs/dbraw/zinc/98/90/16/819989016.db2.gz PNHYFSIGHCOXSI-CYBMUJFWSA-N 1 3 297.403 -0.692 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851551 820041485 /nfs/dbraw/zinc/04/14/85/820041485.db2.gz CYFFYLVAAQWQDM-OLZOCXBDSA-N 1 3 296.415 -0.440 20 30 CBEDHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171758239 820370042 /nfs/dbraw/zinc/37/00/42/820370042.db2.gz USWVQSSXDPNVBK-UHFFFAOYSA-N 1 3 283.376 -0.936 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769626 820370225 /nfs/dbraw/zinc/37/02/25/820370225.db2.gz AWQPRNJSEJCUHG-ZDUSSCGKSA-N 1 3 296.415 -0.438 20 30 CBEDHO C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CC[NH+](C)C ZINC001179472220 820630860 /nfs/dbraw/zinc/63/08/60/820630860.db2.gz IZSBRGQBJOWXJH-RYUDHWBXSA-N 1 3 295.387 -0.843 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653287 820808234 /nfs/dbraw/zinc/80/82/34/820808234.db2.gz WOMKPGYNNJTFBC-OLZOCXBDSA-N 1 3 292.383 -0.980 20 30 CBEDHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001185248348 821109726 /nfs/dbraw/zinc/10/97/26/821109726.db2.gz CQANOSMFSSXRMU-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401210 821128844 /nfs/dbraw/zinc/12/88/44/821128844.db2.gz MRQSBGPTMONZJX-CHWSQXEVSA-N 1 3 294.399 -0.734 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001284446055 828596779 /nfs/dbraw/zinc/59/67/79/828596779.db2.gz ZUJBKUUJYUHBIE-CHWSQXEVSA-N 1 3 269.389 -0.385 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057238 824341706 /nfs/dbraw/zinc/34/17/06/824341706.db2.gz FUHCLOYZYYVFCX-KGLIPLIRSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057238 824341712 /nfs/dbraw/zinc/34/17/12/824341712.db2.gz FUHCLOYZYYVFCX-KGLIPLIRSA-N 1 3 279.384 -0.222 20 30 CBEDHO C#Cc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)ccn1 ZINC001218523168 824581879 /nfs/dbraw/zinc/58/18/79/824581879.db2.gz DAYXTKFPRLRWHF-CYBMUJFWSA-N 1 3 258.325 -0.250 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)CNCC2 ZINC001218552733 824590266 /nfs/dbraw/zinc/59/02/66/824590266.db2.gz JULHGGPENJVNJD-XCBNKYQSSA-N 1 3 291.380 -0.107 20 30 CBEDHO C#Cc1cnc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(C#C)n1 ZINC001218658009 824618274 /nfs/dbraw/zinc/61/82/74/824618274.db2.gz YKZWHXXBFSLEHU-KCJUWKMLSA-N 1 3 255.281 -0.933 20 30 CBEDHO COC(=O)c1ccc(C(N)=NC(=O)[C@@H]2C[C@H]([NH3+])CN2)cc1 ZINC001220579111 825069507 /nfs/dbraw/zinc/06/95/07/825069507.db2.gz DYENXJLKSKKVQG-QWRGUYRKSA-N 1 3 290.323 -0.606 20 30 CBEDHO COC(=O)c1ccc(C(=N)NC(O)=C2C[C@H]([NH3+])CN2)cc1 ZINC001220579111 825069510 /nfs/dbraw/zinc/06/95/10/825069510.db2.gz DYENXJLKSKKVQG-QWRGUYRKSA-N 1 3 290.323 -0.606 20 30 CBEDHO CC(C)C[C@@H](C#N)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220701295 825086368 /nfs/dbraw/zinc/08/63/68/825086368.db2.gz ZKRNYVGXNXMZBR-WDEREUQCSA-N 1 3 250.346 -0.150 20 30 CBEDHO C=C(C)CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768379 825099056 /nfs/dbraw/zinc/09/90/56/825099056.db2.gz JFPRDRDJXPFXNO-KGLIPLIRSA-N 1 3 299.415 -0.308 20 30 CBEDHO N#Cc1cnc(CNC(=O)[C@@H](N)CCC[NH3+])s1 ZINC001220872171 825116606 /nfs/dbraw/zinc/11/66/06/825116606.db2.gz MSRCPYWGLCRSOZ-QMMMGPOBSA-N 1 3 253.331 -0.303 20 30 CBEDHO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239077 825549083 /nfs/dbraw/zinc/54/90/83/825549083.db2.gz BMNMHFUPUWCABL-QWRGUYRKSA-N 1 3 286.401 -0.308 20 30 CBEDHO N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(CN)C2)CCN1 ZINC001246555038 825684541 /nfs/dbraw/zinc/68/45/41/825684541.db2.gz ARFGNMCIUOKEGP-XQQFMLRXSA-N 1 3 252.362 -0.194 20 30 CBEDHO N#C[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(CN)C2)CCN1 ZINC001246555038 825684547 /nfs/dbraw/zinc/68/45/47/825684547.db2.gz ARFGNMCIUOKEGP-XQQFMLRXSA-N 1 3 252.362 -0.194 20 30 CBEDHO CN(C)CC#CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001251707746 825786261 /nfs/dbraw/zinc/78/62/61/825786261.db2.gz FEBSKFUIOVMPRI-CQSZACIVSA-N 1 3 296.415 -0.303 20 30 CBEDHO CN(C)CC#CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001251707746 825786268 /nfs/dbraw/zinc/78/62/68/825786268.db2.gz FEBSKFUIOVMPRI-CQSZACIVSA-N 1 3 296.415 -0.303 20 30 CBEDHO C#CCOC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001251887523 825802262 /nfs/dbraw/zinc/80/22/62/825802262.db2.gz FFBSVZCWPQOOGJ-HNNXBMFYSA-N 1 3 283.416 -0.387 20 30 CBEDHO C#CCOC[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001251887524 825802404 /nfs/dbraw/zinc/80/24/04/825802404.db2.gz FFBSVZCWPQOOGJ-OAHLLOKOSA-N 1 3 283.416 -0.387 20 30 CBEDHO C#CC[S@](=O)Cc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164625 825946377 /nfs/dbraw/zinc/94/63/77/825946377.db2.gz PRJRCCXQTBIHOV-FQEVSTJZSA-N 1 3 297.428 -0.121 20 30 CBEDHO N#C[C@H]1CNCC12CC(C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)C2 ZINC001262035532 826626593 /nfs/dbraw/zinc/62/65/93/826626593.db2.gz MUQRXIZLLCMIGF-DQXWKOKRSA-N 1 3 260.341 -0.302 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001263100205 826737032 /nfs/dbraw/zinc/73/70/32/826737032.db2.gz HZDWMNPRQVJVJB-CYBMUJFWSA-N 1 3 266.389 -0.343 20 30 CBEDHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001263186972 826751512 /nfs/dbraw/zinc/75/15/12/826751512.db2.gz VJQRRVYNUVYACI-BCXZHAGTSA-N 1 3 262.357 -0.150 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001265784073 826918933 /nfs/dbraw/zinc/91/89/33/826918933.db2.gz UVNYTBAZRGALSV-GFCCVEGCSA-N 1 3 294.399 -0.686 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265914776 826937115 /nfs/dbraw/zinc/93/71/15/826937115.db2.gz WKCSTZVWCABLIP-QWHCGFSZSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267458914 827173720 /nfs/dbraw/zinc/17/37/20/827173720.db2.gz MNTZLRVSQNHYFG-CQSZACIVSA-N 1 3 296.415 -0.630 20 30 CBEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001268324590 827300796 /nfs/dbraw/zinc/30/07/96/827300796.db2.gz USHOBRRYRRJDFH-CHWSQXEVSA-N 1 3 269.389 -0.337 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001268307680 827289946 /nfs/dbraw/zinc/28/99/46/827289946.db2.gz HTJRZMVGTKRPEK-LLVKDONJSA-N 1 3 253.346 -0.829 20 30 CBEDHO COCC#CCNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001268320988 827298328 /nfs/dbraw/zinc/29/83/28/827298328.db2.gz FHAPFKZAGVOCMA-AWEZNQCLSA-N 1 3 297.399 -0.955 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001268334684 827307943 /nfs/dbraw/zinc/30/79/43/827307943.db2.gz LGTFSHPTVJXJEI-LBPRGKRZSA-N 1 3 255.362 -0.583 20 30 CBEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001268334682 827308017 /nfs/dbraw/zinc/30/80/17/827308017.db2.gz LGTFSHPTVJXJEI-GFCCVEGCSA-N 1 3 255.362 -0.583 20 30 CBEDHO C#CCNC1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001269505662 827514949 /nfs/dbraw/zinc/51/49/49/827514949.db2.gz KIRSYTPAOXOEDM-UHFFFAOYSA-N 1 3 289.383 -0.070 20 30 CBEDHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)N(C)C ZINC001271170249 827671809 /nfs/dbraw/zinc/67/18/09/827671809.db2.gz JGZNTRDXOZJIMY-NWDGAFQWSA-N 1 3 297.403 -0.597 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001273929448 827942541 /nfs/dbraw/zinc/94/25/41/827942541.db2.gz KMBZTXUJGTWPLO-HOCLYGCPSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001273929448 827942545 /nfs/dbraw/zinc/94/25/45/827942545.db2.gz KMBZTXUJGTWPLO-HOCLYGCPSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278017888 828231168 /nfs/dbraw/zinc/23/11/68/828231168.db2.gz QVRMEJDAPVOVQF-OLZOCXBDSA-N 1 3 294.399 -0.876 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278017888 828231176 /nfs/dbraw/zinc/23/11/76/828231176.db2.gz QVRMEJDAPVOVQF-OLZOCXBDSA-N 1 3 294.399 -0.876 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278017889 828231424 /nfs/dbraw/zinc/23/14/24/828231424.db2.gz QVRMEJDAPVOVQF-QWHCGFSZSA-N 1 3 294.399 -0.876 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278017889 828231427 /nfs/dbraw/zinc/23/14/27/828231427.db2.gz QVRMEJDAPVOVQF-QWHCGFSZSA-N 1 3 294.399 -0.876 20 30 CBEDHO C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396659 828268079 /nfs/dbraw/zinc/26/80/79/828268079.db2.gz BPTGHEYDKUOADC-VXGBXAGGSA-N 1 3 295.387 -0.843 20 30 CBEDHO C=CCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278821685 884819879 /nfs/dbraw/zinc/81/98/79/884819879.db2.gz MHFWSPQKAKBCAL-OCCSQVGLSA-N 1 3 267.373 -0.323 20 30 CBEDHO C=CCN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278821685 884819889 /nfs/dbraw/zinc/81/98/89/884819889.db2.gz MHFWSPQKAKBCAL-OCCSQVGLSA-N 1 3 267.373 -0.323 20 30 CBEDHO CCN1CCN(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326062694 884892890 /nfs/dbraw/zinc/89/28/90/884892890.db2.gz LMYNFJQAJHBJEA-ZDUSSCGKSA-N 1 3 281.404 -0.239 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001326148500 884924706 /nfs/dbraw/zinc/92/47/06/884924706.db2.gz MZFVGVDZRWGTOO-ZIAGYGMSSA-N 1 3 281.400 -0.097 20 30 CBEDHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CCO1 ZINC001326568519 885066691 /nfs/dbraw/zinc/06/66/91/885066691.db2.gz ZSVPFNCBCYTESU-DCAQKATOSA-N 1 3 254.334 -0.418 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979174 885211658 /nfs/dbraw/zinc/21/16/58/885211658.db2.gz NSUPYALRQTWLFL-HUUCEWRRSA-N 1 3 291.395 -0.222 20 30 CBEDHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CCCCC#N)CCO1 ZINC001327131423 885268063 /nfs/dbraw/zinc/26/80/63/885268063.db2.gz RHDOEUFFDCWYBG-QJPTWQEYSA-N 1 3 268.361 -0.028 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327857069 885503759 /nfs/dbraw/zinc/50/37/59/885503759.db2.gz RJBXXHVVDJJAME-GHMZBOCLSA-N 1 3 254.334 -0.498 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001331633474 886875000 /nfs/dbraw/zinc/87/50/00/886875000.db2.gz WMRKFDUHHSGFDZ-NEPJUHHUSA-N 1 3 295.387 -0.986 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001331633474 886875012 /nfs/dbraw/zinc/87/50/12/886875012.db2.gz WMRKFDUHHSGFDZ-NEPJUHHUSA-N 1 3 295.387 -0.986 20 30 CBEDHO C[C@@]1(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC[NH2+]C1 ZINC001353067183 891355136 /nfs/dbraw/zinc/35/51/36/891355136.db2.gz DRAXCXVUPWNTQW-HJGSJEJJSA-N 1 3 262.357 -0.006 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001502895229 921404705 /nfs/dbraw/zinc/40/47/05/921404705.db2.gz ABLVTYDYFPFTEA-UHFFFAOYSA-N 1 3 279.384 -0.342 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480174033 916317637 /nfs/dbraw/zinc/31/76/37/916317637.db2.gz QCRXCUYZZNMPFH-JOCQHMNTSA-N 1 3 294.399 -0.687 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480531265 916459167 /nfs/dbraw/zinc/45/91/67/916459167.db2.gz XBKREUUWZLQFQA-GFCCVEGCSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481874210 917012944 /nfs/dbraw/zinc/01/29/44/917012944.db2.gz FSUIZYNTJYXGMJ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481874210 917012956 /nfs/dbraw/zinc/01/29/56/917012956.db2.gz FSUIZYNTJYXGMJ-OLZOCXBDSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001484498840 917880060 /nfs/dbraw/zinc/88/00/60/917880060.db2.gz YWIFMDQSINJZOU-UHFFFAOYSA-N 1 3 265.357 -0.874 20 30 CBEDHO C=CCC[NH2+][C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001486034819 918326053 /nfs/dbraw/zinc/32/60/53/918326053.db2.gz VHMGPHZXURZDTK-OLZOCXBDSA-N 1 3 269.389 -0.029 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CCC ZINC001486313694 918423602 /nfs/dbraw/zinc/42/36/02/918423602.db2.gz FJVBWZYWSRCZOU-CYBMUJFWSA-N 1 3 269.389 -0.240 20 30 CBEDHO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001486318434 918424046 /nfs/dbraw/zinc/42/40/46/918424046.db2.gz SMYSKRKGNOZCSW-CQSZACIVSA-N 1 3 299.415 -0.615 20 30 CBEDHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001491637119 919241521 /nfs/dbraw/zinc/24/15/21/919241521.db2.gz IHTNZVVENFKNOF-RYUDHWBXSA-N 1 3 295.387 -0.938 20 30 CBEDHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001491637119 919241536 /nfs/dbraw/zinc/24/15/36/919241536.db2.gz IHTNZVVENFKNOF-RYUDHWBXSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898561 920422466 /nfs/dbraw/zinc/42/24/66/920422466.db2.gz BPPONIVZCSAAKE-VXGBXAGGSA-N 1 3 282.388 -0.830 20 30 CBEDHO C#CCCN1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501364442 920979099 /nfs/dbraw/zinc/97/90/99/920979099.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501364442 920979111 /nfs/dbraw/zinc/97/91/11/920979111.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501364443 920979596 /nfs/dbraw/zinc/97/95/96/920979596.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501364443 920979607 /nfs/dbraw/zinc/97/96/07/920979607.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000491392318 354456182 /nfs/dbraw/zinc/45/61/82/354456182.db2.gz BRCOZTVMEMWDHR-LBPRGKRZSA-N 1 3 252.362 -0.055 20 30 CBEDHO CN(CC#CC[N@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353158178 373110809 /nfs/dbraw/zinc/11/08/09/373110809.db2.gz YEOPASPBGSXCJD-UHFFFAOYSA-N 1 3 252.358 -0.097 20 30 CBEDHO CN(CC#CC[N@@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353158178 373110815 /nfs/dbraw/zinc/11/08/15/373110815.db2.gz YEOPASPBGSXCJD-UHFFFAOYSA-N 1 3 252.358 -0.097 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000491747016 373708094 /nfs/dbraw/zinc/70/80/94/373708094.db2.gz VWXBZHVIWISNDL-VXGBXAGGSA-N 1 3 252.362 -0.070 20 30 CBEDHO CN1CC[C@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312149 220249604 /nfs/dbraw/zinc/24/96/04/220249604.db2.gz PYSIAKPMXIZEJG-PWSUYJOCSA-N 1 3 256.350 -0.864 20 30 CBEDHO CN1CC[C@](O)(CNC(=[NH2+])N2CCSCC2)C1 ZINC000262347582 220249931 /nfs/dbraw/zinc/24/99/31/220249931.db2.gz YHFUEPQAIACNAS-NSHDSACASA-N 1 3 258.391 -0.584 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262799375 220258169 /nfs/dbraw/zinc/25/81/69/220258169.db2.gz QMEYQAGDHYQDRP-SECBINFHSA-N 1 3 266.353 -0.901 20 30 CBEDHO C=CCNC(=O)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000271964582 220273456 /nfs/dbraw/zinc/27/34/56/220273456.db2.gz SDSZQFXSFNEARV-LLVKDONJSA-N 1 3 267.377 -0.323 20 30 CBEDHO C[NH+]=C(NCCN1CCCN(C)CC1)NC1CC1 ZINC000303391697 220325281 /nfs/dbraw/zinc/32/52/81/220325281.db2.gz DYOMPQUDAGAKPU-UHFFFAOYSA-N 1 3 253.394 -0.049 20 30 CBEDHO C=CC[C@@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000662812798 419733171 /nfs/dbraw/zinc/73/31/71/419733171.db2.gz FTWNUYLMYOCNTF-YPMHNXCESA-N 1 3 253.346 -0.211 20 30 CBEDHO C=CC[C@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000662812787 419734443 /nfs/dbraw/zinc/73/44/43/419734443.db2.gz FTWNUYLMYOCNTF-WCQYABFASA-N 1 3 253.346 -0.211 20 30 CBEDHO C#CCNC(=O)CC[NH2+]CCCCN1CCN(C)CC1 ZINC000491815572 332366400 /nfs/dbraw/zinc/36/64/00/332366400.db2.gz PLRVXGXZQJJZJB-UHFFFAOYSA-N 1 3 280.416 -0.257 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014871 333079095 /nfs/dbraw/zinc/07/90/95/333079095.db2.gz LBLRQHUAURWTFN-LLVKDONJSA-N 1 3 283.376 -0.174 20 30 CBEDHO COC[C@H](C)NC(=[NH2+])NCCCCN1CCN(C)CC1 ZINC000104169884 582113172 /nfs/dbraw/zinc/11/31/72/582113172.db2.gz DMTGTRLYEUCSIX-ZDUSSCGKSA-N 1 3 285.436 -0.047 20 30 CBEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174653 582113312 /nfs/dbraw/zinc/11/33/12/582113312.db2.gz XZMVHUOHMPJFHI-CQSZACIVSA-N 1 3 297.447 -0.093 20 30 CBEDHO C#CCCCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000806912433 582438129 /nfs/dbraw/zinc/43/81/29/582438129.db2.gz GOQZVKYBOYDATF-UHFFFAOYSA-N 1 3 296.415 -0.532 20 30 CBEDHO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)CN(C)C ZINC000849030295 583470027 /nfs/dbraw/zinc/47/00/27/583470027.db2.gz JEPSUDLRBUNAJZ-CYBMUJFWSA-N 1 3 285.436 -0.319 20 30 CBEDHO CN1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000852797832 583553324 /nfs/dbraw/zinc/55/33/24/583553324.db2.gz CAAQBEZROAZTBO-ZDUSSCGKSA-N 1 3 264.373 -0.909 20 30 CBEDHO C=C(CO)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346933 583636529 /nfs/dbraw/zinc/63/65/29/583636529.db2.gz OYYYSRCJGLYTAY-LBPRGKRZSA-N 1 3 257.378 -0.077 20 30 CBEDHO C=C(CO)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346933 583636530 /nfs/dbraw/zinc/63/65/30/583636530.db2.gz OYYYSRCJGLYTAY-LBPRGKRZSA-N 1 3 257.378 -0.077 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861634977 583773697 /nfs/dbraw/zinc/77/36/97/583773697.db2.gz WEBHFJBEWVRGTB-NWDGAFQWSA-N 1 3 252.362 -0.009 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861768554 583785407 /nfs/dbraw/zinc/78/54/07/583785407.db2.gz KGWWMIGIOPBLMS-NSHDSACASA-N 1 3 282.388 -0.441 20 30 CBEDHO C#CC[N@H+](C)CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000875623790 584111914 /nfs/dbraw/zinc/11/19/14/584111914.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 1 3 282.388 -0.693 20 30 CBEDHO C#CC[N@@H+](C)CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000875623790 584111916 /nfs/dbraw/zinc/11/19/16/584111916.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 1 3 282.388 -0.693 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847209 584149148 /nfs/dbraw/zinc/14/91/48/584149148.db2.gz IQVRUCZMQLJKPA-NWDGAFQWSA-N 1 3 286.807 -0.038 20 30 CBEDHO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC000958219791 613303594 /nfs/dbraw/zinc/30/35/94/613303594.db2.gz NWJVHSCVSJVFGE-HIFRSBDPSA-N 1 3 298.346 -0.010 20 30 CBEDHO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC000958219791 613303596 /nfs/dbraw/zinc/30/35/96/613303596.db2.gz NWJVHSCVSJVFGE-HIFRSBDPSA-N 1 3 298.346 -0.010 20 30 CBEDHO C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000923201707 658168581 /nfs/dbraw/zinc/16/85/81/658168581.db2.gz RJQJMVWWSOOBRM-KBPBESRZSA-N 1 3 298.431 -0.058 20 30 CBEDHO C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000923201707 658168588 /nfs/dbraw/zinc/16/85/88/658168588.db2.gz RJQJMVWWSOOBRM-KBPBESRZSA-N 1 3 298.431 -0.058 20 30 CBEDHO COCCNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000303385977 656138898 /nfs/dbraw/zinc/13/88/98/656138898.db2.gz WDQGCBOERHQQTQ-LBPRGKRZSA-N 1 3 271.409 -0.579 20 30 CBEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303388519 656138910 /nfs/dbraw/zinc/13/89/10/656138910.db2.gz XLUQAKSDTNUZQR-ZDUSSCGKSA-N 1 3 285.436 -0.189 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCOC ZINC000303786986 656139754 /nfs/dbraw/zinc/13/97/54/656139754.db2.gz RYBLSKSKOYDIEP-LLVKDONJSA-N 1 3 285.392 -0.862 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884642400 656253601 /nfs/dbraw/zinc/25/36/01/656253601.db2.gz IGKTZDIOWACJDD-UHFFFAOYSA-N 1 3 296.415 -0.003 20 30 CBEDHO C=CCCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879520 657153547 /nfs/dbraw/zinc/15/35/47/657153547.db2.gz MZBHWOAHGZJWOW-VXGBXAGGSA-N 1 3 254.378 -0.229 20 30 CBEDHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CCO)CC1 ZINC000912608875 657297853 /nfs/dbraw/zinc/29/78/53/657297853.db2.gz PFIHBPRUTKMUOK-UHFFFAOYSA-N 1 3 281.400 -0.286 20 30 CBEDHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CCO)CC1 ZINC000912608875 657297857 /nfs/dbraw/zinc/29/78/57/657297857.db2.gz PFIHBPRUTKMUOK-UHFFFAOYSA-N 1 3 281.400 -0.286 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001021090309 658150672 /nfs/dbraw/zinc/15/06/72/658150672.db2.gz SOLKOPBHYDMLFD-QEJZJMRPSA-N 1 3 293.411 -0.051 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001021090308 658151715 /nfs/dbraw/zinc/15/17/15/658151715.db2.gz SOLKOPBHYDMLFD-BPLDGKMQSA-N 1 3 293.411 -0.051 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001029004016 799186348 /nfs/dbraw/zinc/18/63/48/799186348.db2.gz RZGUMXODXJSDEQ-AWEZNQCLSA-N 1 3 293.411 -0.238 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001029004016 799186350 /nfs/dbraw/zinc/18/63/50/799186350.db2.gz RZGUMXODXJSDEQ-AWEZNQCLSA-N 1 3 293.411 -0.238 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046849574 801798063 /nfs/dbraw/zinc/79/80/63/801798063.db2.gz HMISCVGYDYFESR-MRXNPFEDSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046849574 801798066 /nfs/dbraw/zinc/79/80/66/801798066.db2.gz HMISCVGYDYFESR-MRXNPFEDSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415640 814250924 /nfs/dbraw/zinc/25/09/24/814250924.db2.gz ILDJPIGJBQOBJR-CYBMUJFWSA-N 1 3 282.388 -0.972 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152136933 815106521 /nfs/dbraw/zinc/10/65/21/815106521.db2.gz JADCFDLRJYDGTL-STQMWFEESA-N 1 3 296.415 -0.133 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446331 815123357 /nfs/dbraw/zinc/12/33/57/815123357.db2.gz XRNVQMDFXJWZRZ-GFCCVEGCSA-N 1 3 284.404 -0.277 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001086278282 810254646 /nfs/dbraw/zinc/25/46/46/810254646.db2.gz PNLMLCXAPAGFHB-OTVXOJSOSA-N 1 3 293.411 -0.192 20 30 CBEDHO CC#CCN1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814031 810568767 /nfs/dbraw/zinc/56/87/67/810568767.db2.gz HXZAMBSQRBDJCA-ZIAGYGMSSA-N 1 3 279.384 -0.343 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@H]2O)CC1 ZINC001090832026 810575370 /nfs/dbraw/zinc/57/53/70/810575370.db2.gz XVFVFVKOFQXKJO-LSDHHAIUSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@H]2O)CC1 ZINC001090832026 810575375 /nfs/dbraw/zinc/57/53/75/810575375.db2.gz XVFVFVKOFQXKJO-LSDHHAIUSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985915 810984512 /nfs/dbraw/zinc/98/45/12/810984512.db2.gz GYHFPFBZPUSCQY-CHWSQXEVSA-N 1 3 267.373 -0.487 20 30 CBEDHO C=CCOCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987242 810985660 /nfs/dbraw/zinc/98/56/60/810985660.db2.gz WULYARUPHUABHG-UONOGXRCSA-N 1 3 299.415 -0.308 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064122 811009838 /nfs/dbraw/zinc/00/98/38/811009838.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064122 811009845 /nfs/dbraw/zinc/00/98/45/811009845.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076002 811014200 /nfs/dbraw/zinc/01/42/00/811014200.db2.gz DNOWUZMYHJIMCC-KGLIPLIRSA-N 1 3 297.399 -0.861 20 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CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC001326091046 884905662 /nfs/dbraw/zinc/90/56/62/884905662.db2.gz IORMLCMJZIQKHN-CYBMUJFWSA-N 1 3 267.373 -0.628 20 30 CBEDHO C=CCn1cc(CNC[C@@H](O)C[NH+]2CCN(C)CC2)nn1 ZINC001327992081 885548186 /nfs/dbraw/zinc/54/81/86/885548186.db2.gz MDPCQXGGXBJXPT-CQSZACIVSA-N 1 3 294.403 -0.838 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001329098671 885927806 /nfs/dbraw/zinc/92/78/06/885927806.db2.gz BHMAYRJCGQRDJO-QWRGUYRKSA-N 1 3 254.334 -0.416 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001332524035 887339653 /nfs/dbraw/zinc/33/96/53/887339653.db2.gz ZUJBKUUJYUHBIE-STQMWFEESA-N 1 3 269.389 -0.385 20 30 CBEDHO C#CCNC(=O)CC[NH2+]CCN1CCN(CC)CC1 ZINC001336756361 888867705 /nfs/dbraw/zinc/86/77/05/888867705.db2.gz NUBUNUIEOAOKHM-UHFFFAOYSA-N 1 3 266.389 -0.647 20 30 CBEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001342724054 889821937 /nfs/dbraw/zinc/82/19/37/889821937.db2.gz SDHFTXIXEGAWNL-WCQYABFASA-N 1 3 255.362 -0.018 20 30 CBEDHO N#CCCC[C@H](N)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376394 889895990 /nfs/dbraw/zinc/89/59/90/889895990.db2.gz ZRDKMQIWDZQKNP-ZDUSSCGKSA-N 1 3 280.372 -0.013 20 30 CBEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001343425725 889907618 /nfs/dbraw/zinc/90/76/18/889907618.db2.gz VPJNBTJGFMGKIZ-AAEUAGOBSA-N 1 3 269.389 -0.031 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001349370670 890801761 /nfs/dbraw/zinc/80/17/61/890801761.db2.gz FJRPKMWYVCJOJA-NWDGAFQWSA-N 1 3 295.387 -0.679 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001357417445 891889256 /nfs/dbraw/zinc/88/92/56/891889256.db2.gz JEXWPRCPYFZJEZ-VXGBXAGGSA-N 1 3 252.362 -0.151 20 30 CBEDHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC#N ZINC001507063600 921666997 /nfs/dbraw/zinc/66/69/97/921666997.db2.gz RUDJUMJSGOHKIL-NWDGAFQWSA-N 1 3 295.387 -0.843 20 30 CBEDHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NCC#N ZINC001507117537 921681317 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C[C@H](CNCC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001483162247 917443823 /nfs/dbraw/zinc/44/38/23/917443823.db2.gz AZMNJHXMDXENDG-LLVKDONJSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001483197769 917461249 /nfs/dbraw/zinc/46/12/49/917461249.db2.gz FTZFLPZHTAEVTL-GFCCVEGCSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCO)CC1 ZINC001483198288 917461626 /nfs/dbraw/zinc/46/16/26/917461626.db2.gz PDCKQZVRXSIAHW-CYBMUJFWSA-N 1 3 281.400 -0.192 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483456196 917567377 /nfs/dbraw/zinc/56/73/77/917567377.db2.gz PIVPMFHNAGHRLN-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO C=CC[NH2+][C@@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001486004622 918300033 /nfs/dbraw/zinc/30/00/33/918300033.db2.gz OIWASCUJUXTHEU-LLVKDONJSA-N 1 3 255.362 -0.277 20 30 CBEDHO C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496152253 920036568 /nfs/dbraw/zinc/03/65/68/920036568.db2.gz ZGAGUHVXROHKBX-GFCCVEGCSA-N 1 3 282.388 -0.876 20 30 CBEDHO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC001497091810 920246696 /nfs/dbraw/zinc/24/66/96/920246696.db2.gz LJFKDOYHTYABAD-NEPJUHHUSA-N 1 3 257.378 -0.031 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC001497091636 920247087 /nfs/dbraw/zinc/24/70/87/920247087.db2.gz JGZQYLQBBGEHBE-NEPJUHHUSA-N 1 3 255.362 -0.583 20 30 CBEDHO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN1CC[C@@H](C)C1 ZINC001497909705 920422151 /nfs/dbraw/zinc/42/21/51/920422151.db2.gz BIUXZZADRMDIIY-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001498197479 920516419 /nfs/dbraw/zinc/51/64/19/920516419.db2.gz MZKTXYFUPWPRBX-STQMWFEESA-N 1 3 296.415 -0.441 20 30 CBEDHO C=CCN1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722063 920869006 /nfs/dbraw/zinc/86/90/06/920869006.db2.gz LISIFVZEPJEGCM-CYBMUJFWSA-N 1 3 255.362 -0.323 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001507569775 921869009 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ZINC000303985268 220324831 /nfs/dbraw/zinc/32/48/31/220324831.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 1 3 283.420 -0.294 20 30 CBEDHO C[C@@H]1C[NH+]=C(NCC(=O)NCCN2CCCCCC2)N1 ZINC000262643830 297088530 /nfs/dbraw/zinc/08/85/30/297088530.db2.gz MFRBEIJMDQICOZ-GFCCVEGCSA-N 1 3 281.404 -0.084 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014883 333079103 /nfs/dbraw/zinc/07/91/03/333079103.db2.gz LBLRQHUAURWTFN-NSHDSACASA-N 1 3 283.376 -0.174 20 30 CBEDHO C[NH+]=C(NCCCN(C)C)NCCN1CCOCC1 ZINC000104152837 582113150 /nfs/dbraw/zinc/11/31/50/582113150.db2.gz KEBCNJSVIVJUAU-UHFFFAOYSA-N 1 3 271.409 -0.565 20 30 CBEDHO COC(=O)CCCN1CCC(N=NC(N)=[NH2+])CC1 ZINC000727057793 582139927 /nfs/dbraw/zinc/13/99/27/582139927.db2.gz ILEWWVITJPMMOZ-UHFFFAOYSA-N 1 3 255.322 -0.126 20 30 CBEDHO OC[C@H](NCC#CC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000792878345 582396425 /nfs/dbraw/zinc/39/64/25/582396425.db2.gz VOADPKRTDAUFMJ-OKILXGFUSA-N 1 3 252.358 -0.289 20 30 CBEDHO OC[C@H]([NH2+]CC#CCN[C@H](CO)C1CC1)C1CC1 ZINC000792878345 582396426 /nfs/dbraw/zinc/39/64/26/582396426.db2.gz VOADPKRTDAUFMJ-OKILXGFUSA-N 1 3 252.358 -0.289 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000841909789 583176444 /nfs/dbraw/zinc/17/64/44/583176444.db2.gz HUOXVUSHCGTTBL-QWHCGFSZSA-N 1 3 282.388 -0.301 20 30 CBEDHO N#C[C@H]1CNC[C@@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458854 583221679 /nfs/dbraw/zinc/22/16/79/583221679.db2.gz AKEHLSFQFRZMAQ-STQMWFEESA-N 1 3 270.336 -0.290 20 30 CBEDHO N#C[C@H]1CNC[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000843460235 583221684 /nfs/dbraw/zinc/22/16/84/583221684.db2.gz ZNORFALJRPQDDH-YNEHKIRRSA-N 1 3 258.325 -0.216 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846166595 583354619 /nfs/dbraw/zinc/35/46/19/583354619.db2.gz ALNRACCLIGZSSK-ZIAGYGMSSA-N 1 3 296.415 -0.053 20 30 CBEDHO C[C@@H]1C[NH+]=C(NCCCCN2CCN(C)CC2)N1 ZINC000848989520 583464583 /nfs/dbraw/zinc/46/45/83/583464583.db2.gz WJGZXVLMLVCQPE-GFCCVEGCSA-N 1 3 253.394 -0.049 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028015 583469612 /nfs/dbraw/zinc/46/96/12/583469612.db2.gz WWTKQBGWOOSJCA-SNVBAGLBSA-N 1 3 266.349 -0.776 20 30 CBEDHO CNC(NCC1(N2CCOCC2)CCN(C)CC1)=[NH+]C ZINC000849041845 583471531 /nfs/dbraw/zinc/47/15/31/583471531.db2.gz XJLUPTBCOPLTGF-UHFFFAOYSA-N 1 3 283.420 -0.422 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC000852889449 583569418 /nfs/dbraw/zinc/56/94/18/583569418.db2.gz DEKQQTMISZXKBE-LBPRGKRZSA-N 1 3 251.330 -0.906 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854644869 583614192 /nfs/dbraw/zinc/61/41/92/583614192.db2.gz VAHAHAOAXFMHFB-UHFFFAOYSA-N 1 3 280.416 -0.190 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000876542477 584132788 /nfs/dbraw/zinc/13/27/88/584132788.db2.gz PIXFYENRXOWWFC-ZJUUUORDSA-N 1 3 260.769 -0.442 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850851 584149747 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C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC000958219793 613295800 /nfs/dbraw/zinc/29/58/00/613295800.db2.gz NWJVHSCVSJVFGE-ZFWWWQNUSA-N 1 3 298.346 -0.010 20 30 CBEDHO CCN(C)C(=O)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000187051755 656096431 /nfs/dbraw/zinc/09/64/31/656096431.db2.gz KWCHNBTVDXSZNB-LLVKDONJSA-N 1 3 269.393 -0.147 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979898 656140348 /nfs/dbraw/zinc/14/03/48/656140348.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 1 3 285.436 -0.047 20 30 CBEDHO CN(C)CC#CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913524020 657493466 /nfs/dbraw/zinc/49/34/66/657493466.db2.gz WQRVJJVDPZIZEN-OLZOCXBDSA-N 1 3 265.357 -0.469 20 30 CBEDHO CN(C)CC#CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000913524020 657493478 /nfs/dbraw/zinc/49/34/78/657493478.db2.gz WQRVJJVDPZIZEN-OLZOCXBDSA-N 1 3 265.357 -0.469 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001016330777 657689564 /nfs/dbraw/zinc/68/95/64/657689564.db2.gz 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/nfs/dbraw/zinc/96/08/31/824960831.db2.gz IQUQKLRCXHJLDB-NSHDSACASA-N 1 3 269.345 -0.451 20 30 CBEDHO C=C(C)C(=O)OCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220124962 824962350 /nfs/dbraw/zinc/96/23/50/824962350.db2.gz RPTDVMRFABRAAM-SNVBAGLBSA-N 1 3 267.329 -0.969 20 30 CBEDHO C=C[C@@H]1C[C@@]1(NC(=O)[C@@H](N)CCC[NH3+])C(=O)OCC ZINC001220570826 825064339 /nfs/dbraw/zinc/06/43/39/825064339.db2.gz AUHTZOZHTPNTNS-NRUUGDAUSA-N 1 3 269.345 -0.323 20 30 CBEDHO N=C(NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643559 825079100 /nfs/dbraw/zinc/07/91/00/825079100.db2.gz KIFQGSWGQHBDRD-NSHDSACASA-N 1 3 291.355 -0.526 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)C1(N)CC[NH2+]CC1 ZINC001220868197 825115190 /nfs/dbraw/zinc/11/51/90/825115190.db2.gz DUJNHFURJJOQFH-LBPRGKRZSA-N 1 3 266.389 -0.166 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220868449 825115623 /nfs/dbraw/zinc/11/56/23/825115623.db2.gz KIRWGNTZYVFTQZ-QJPTWQEYSA-N 1 3 253.346 -0.667 20 30 CBEDHO N#CC1(NC(=O)[C@@H](N)CSCC[NH3+])CCOCC1 ZINC001220967153 825130688 /nfs/dbraw/zinc/13/06/88/825130688.db2.gz UFIALNPXEVVKAX-VIFPVBQESA-N 1 3 272.374 -0.805 20 30 CBEDHO C=CC[C@@](C)(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)OC ZINC001221382119 825180243 /nfs/dbraw/zinc/18/02/43/825180243.db2.gz NGJHRNGIQZYEIR-SMDDNHRTSA-N 1 3 283.372 -0.063 20 30 CBEDHO C#CCCC1(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)N=N1 ZINC001221411637 825187144 /nfs/dbraw/zinc/18/71/44/825187144.db2.gz ZVAKXDWUMFLJAU-NSHDSACASA-N 1 3 275.356 -0.123 20 30 CBEDHO N#C[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246404831 825671363 /nfs/dbraw/zinc/67/13/63/825671363.db2.gz LULHRLBWWSTUEG-DCAQKATOSA-N 1 3 253.350 -0.797 20 30 CBEDHO N#CCCN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246790925 825711909 /nfs/dbraw/zinc/71/19/09/825711909.db2.gz OSFQLPFDWSOGBZ-ZDUSSCGKSA-N 1 3 263.389 -0.388 20 30 CBEDHO C#CC[S@@](=O)Cc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164626 825946172 /nfs/dbraw/zinc/94/61/72/825946172.db2.gz PRJRCCXQTBIHOV-HXUWFJFHSA-N 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N#C[C@H]1CNC[C@@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217910890 884788327 /nfs/dbraw/zinc/78/83/27/884788327.db2.gz NNPWZUWUICBYJV-FHUSYTEZSA-N 1 3 251.330 -0.118 20 30 CBEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278821683 884820420 /nfs/dbraw/zinc/82/04/20/884820420.db2.gz MHFWSPQKAKBCAL-GXTWGEPZSA-N 1 3 267.373 -0.323 20 30 CBEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278821683 884820433 /nfs/dbraw/zinc/82/04/33/884820433.db2.gz MHFWSPQKAKBCAL-GXTWGEPZSA-N 1 3 267.373 -0.323 20 30 CBEDHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001326568521 885068676 /nfs/dbraw/zinc/06/86/76/885068676.db2.gz ZSVPFNCBCYTESU-HBNTYKKESA-N 1 3 254.334 -0.418 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001326784442 885143748 /nfs/dbraw/zinc/14/37/48/885143748.db2.gz QQBPQXXJXBMAFC-LBPRGKRZSA-N 1 3 267.377 -0.581 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001328207454 885602962 /nfs/dbraw/zinc/60/29/62/885602962.db2.gz 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889587819 /nfs/dbraw/zinc/58/78/19/889587819.db2.gz IXYYARRUAYJMCM-HNNXBMFYSA-N 1 3 292.427 -0.164 20 30 CBEDHO C#CCNCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001341382610 889587823 /nfs/dbraw/zinc/58/78/23/889587823.db2.gz IXYYARRUAYJMCM-HNNXBMFYSA-N 1 3 292.427 -0.164 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001346492385 890304333 /nfs/dbraw/zinc/30/43/33/890304333.db2.gz ISKAFDDNNLFDQK-NWDGAFQWSA-N 1 3 268.361 -0.026 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001353301127 891399961 /nfs/dbraw/zinc/39/99/61/891399961.db2.gz PQMTXATXRAODOH-LBPRGKRZSA-N 1 3 256.346 -0.957 20 30 CBEDHO C[NH+](C)CC#CCNC[C@H](O)C1(O)CCOCC1 ZINC001353301127 891399980 /nfs/dbraw/zinc/39/99/80/891399980.db2.gz PQMTXATXRAODOH-LBPRGKRZSA-N 1 3 256.346 -0.957 20 30 CBEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001502057936 921330296 /nfs/dbraw/zinc/33/02/96/921330296.db2.gz IIAPHFOZHVXLAL-ZDUSSCGKSA-N 1 3 279.384 -0.079 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087575 921335253 /nfs/dbraw/zinc/33/52/53/921335253.db2.gz PSSPMQOIVMNNEU-CYBMUJFWSA-N 1 3 277.368 -0.468 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001503645512 921411391 /nfs/dbraw/zinc/41/13/91/921411391.db2.gz AOUZHTZBLIXFPD-LBPRGKRZSA-N 1 3 294.399 -0.699 20 30 CBEDHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC#N ZINC001480530629 916460032 /nfs/dbraw/zinc/46/00/32/916460032.db2.gz LCKXFVRMXKCRKW-NSHDSACASA-N 1 3 295.387 -0.938 20 30 CBEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480619474 916496741 /nfs/dbraw/zinc/49/67/41/916496741.db2.gz CLBDCXLKIQZPHU-OLZOCXBDSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481874211 917012431 /nfs/dbraw/zinc/01/24/31/917012431.db2.gz FSUIZYNTJYXGMJ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481874211 917012441 /nfs/dbraw/zinc/01/24/41/917012441.db2.gz FSUIZYNTJYXGMJ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C=CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967709 917350744 /nfs/dbraw/zinc/35/07/44/917350744.db2.gz XEVQWYHRPKLQJZ-CYBMUJFWSA-N 1 3 296.415 -0.322 20 30 CBEDHO C=CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482967709 917350752 /nfs/dbraw/zinc/35/07/52/917350752.db2.gz XEVQWYHRPKLQJZ-CYBMUJFWSA-N 1 3 296.415 -0.322 20 30 CBEDHO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](CC)N(C)C ZINC001486052337 918345080 /nfs/dbraw/zinc/34/50/80/918345080.db2.gz FTAAIRQABUUCBA-NEPJUHHUSA-N 1 3 257.378 -0.031 20 30 CBEDHO C=CCN(C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348412 918446045 /nfs/dbraw/zinc/44/60/45/918446045.db2.gz ZRPBZYJDXKKKJP-LBPRGKRZSA-N 1 3 257.378 -0.125 20 30 CBEDHO C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568731 919207864 /nfs/dbraw/zinc/20/78/64/919207864.db2.gz MKXJOJMHLPOXTC-QWHCGFSZSA-N 1 3 296.415 -0.181 20 30 CBEDHO COCC#CC[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001493793753 919620180 /nfs/dbraw/zinc/62/01/80/919620180.db2.gz LOSALYNXXBMZHA-UHFFFAOYSA-N 1 3 267.373 -0.220 20 30 CBEDHO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001496991869 920197390 /nfs/dbraw/zinc/19/73/90/920197390.db2.gz FFKSVELBYHVISQ-KBPBESRZSA-N 1 3 299.415 -0.711 20 30 CBEDHO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)N(C)C ZINC001497091638 920246187 /nfs/dbraw/zinc/24/61/87/920246187.db2.gz JGZQYLQBBGEHBE-RYUDHWBXSA-N 1 3 255.362 -0.583 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]C(C)C)CC1 ZINC001497120525 920258143 /nfs/dbraw/zinc/25/81/43/920258143.db2.gz ZOQYVJWLFUDFKV-AWEZNQCLSA-N 1 3 281.400 -0.193 20 30 CBEDHO C[C@@H](CNCC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001498104365 920482470 /nfs/dbraw/zinc/48/24/70/920482470.db2.gz AZMNJHXMDXENDG-NSHDSACASA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001498168346 920510064 /nfs/dbraw/zinc/51/00/64/920510064.db2.gz OXWBUIHKUYTDFB-JSGCOSHPSA-N 1 3 296.415 -0.584 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001558549841 924182977 /nfs/dbraw/zinc/18/29/77/924182977.db2.gz ULPBQCXSZBEKPL-NSHDSACASA-N 1 3 253.346 -0.307 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000153060638 351943330 /nfs/dbraw/zinc/94/33/30/351943330.db2.gz AHNHKTQGYDLPNR-HNNXBMFYSA-N 1 3 281.400 -0.240 20 30 CBEDHO CN1CCCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303875730 352745225 /nfs/dbraw/zinc/74/52/25/352745225.db2.gz HRWZIETYSMRPKN-UHFFFAOYSA-N 1 3 269.393 -0.729 20 30 CBEDHO CN(CC#CC[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000341911932 353218270 /nfs/dbraw/zinc/21/82/70/353218270.db2.gz OSXFYZHZEVCTPJ-UHFFFAOYSA-N 1 3 252.358 -0.100 20 30 CBEDHO CN(CC#CC[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000341911932 353218272 /nfs/dbraw/zinc/21/82/72/353218272.db2.gz OSXFYZHZEVCTPJ-UHFFFAOYSA-N 1 3 252.358 -0.100 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000491392317 354456590 /nfs/dbraw/zinc/45/65/90/354456590.db2.gz BRCOZTVMEMWDHR-GFCCVEGCSA-N 1 3 252.362 -0.055 20 30 CBEDHO C=CC[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000595968947 355331076 /nfs/dbraw/zinc/33/10/76/355331076.db2.gz AHEVIOGHJLPNHT-SLEUVZQESA-N 1 3 292.383 -0.545 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011834 220247413 /nfs/dbraw/zinc/24/74/13/220247413.db2.gz UJMLPTQVGAPWKU-NWDGAFQWSA-N 1 3 270.377 -0.210 20 30 CBEDHO C[C@@H]1CN(C(=[NH2+])NC[C@]2(O)CCN(C)C2)CCO1 ZINC000262469271 220251256 /nfs/dbraw/zinc/25/12/56/220251256.db2.gz OKXBTKXYCZLVEW-ZYHUDNBSSA-N 1 3 256.350 -0.912 20 30 CBEDHO C[NH+]=C(NCCN1CCOCC1)NCC1=CCN(C)CC1 ZINC000263125375 220261610 /nfs/dbraw/zinc/26/16/10/220261610.db2.gz FJUBRKWUOOEZRL-UHFFFAOYSA-N 1 3 295.431 -0.255 20 30 CBEDHO C=CC[C@]1(C(=O)N2CCOC3(CNC3)C2)CCC[NH2+]1 ZINC000663217935 419830576 /nfs/dbraw/zinc/83/05/76/419830576.db2.gz UUGGTSOQPSOBAL-CQSZACIVSA-N 1 3 265.357 -0.115 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005524 279303643 /nfs/dbraw/zinc/30/36/43/279303643.db2.gz RJHCNFHDAYLNHV-GFCCVEGCSA-N 1 3 284.404 -0.084 20 30 CBEDHO C#CCN(C)CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000491381987 332201110 /nfs/dbraw/zinc/20/11/10/332201110.db2.gz HCHWUPPXLMOQCT-UHFFFAOYSA-N 1 3 281.404 -0.854 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491677505 332282544 /nfs/dbraw/zinc/28/25/44/332282544.db2.gz YXTICMCJUUDAKN-GDNZZTSVSA-N 1 3 250.346 -0.542 20 30 CBEDHO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000517567895 333102647 /nfs/dbraw/zinc/10/26/47/333102647.db2.gz WZUCYHGFUIODNU-ZIAGYGMSSA-N 1 3 284.404 -0.761 20 30 CBEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568294721 334813361 /nfs/dbraw/zinc/81/33/61/334813361.db2.gz ZVLPREIMHBQSEN-ZDUSSCGKSA-N 1 3 294.399 -0.379 20 30 CBEDHO C=CCN1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581776891 336145569 /nfs/dbraw/zinc/14/55/69/336145569.db2.gz CEGOOLDLZDHAPY-CQSZACIVSA-N 1 3 295.431 -0.079 20 30 CBEDHO COC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(C)CC1 ZINC000104169887 582113138 /nfs/dbraw/zinc/11/31/38/582113138.db2.gz DMTGTRLYEUCSIX-CYBMUJFWSA-N 1 3 285.436 -0.047 20 30 CBEDHO COCCN(C)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000104173091 582113168 /nfs/dbraw/zinc/11/31/68/582113168.db2.gz OKHZISXGFLTNHA-NSHDSACASA-N 1 3 260.382 -0.106 20 30 CBEDHO C[NH+](C)CCN1c2ccccc2C(=NNC(=N)N)C1=O ZINC000807961733 582440789 /nfs/dbraw/zinc/44/07/89/582440789.db2.gz CBSYMXVJACATIQ-UHFFFAOYSA-N 1 3 274.328 -0.218 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000876542475 584132662 /nfs/dbraw/zinc/13/26/62/584132662.db2.gz PIXFYENRXOWWFC-UWVGGRQHSA-N 1 3 260.769 -0.442 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC)C[C@H]2O)CC1 ZINC000958724357 613130553 /nfs/dbraw/zinc/13/05/53/613130553.db2.gz NXIHNPQUCWLJCJ-HUUCEWRRSA-N 1 3 293.411 -0.240 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)C[C@H]2O)CC1 ZINC000958724357 613130554 /nfs/dbraw/zinc/13/05/54/613130554.db2.gz NXIHNPQUCWLJCJ-HUUCEWRRSA-N 1 3 293.411 -0.240 20 30 CBEDHO C[C@H](CNC(=[NH2+])NC1CC1)CN1CCN(C)CC1 ZINC000303376508 656138957 /nfs/dbraw/zinc/13/89/57/656138957.db2.gz OMWCWYOIVSIZRI-LLVKDONJSA-N 1 3 253.394 -0.063 20 30 CBEDHO C=CCNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000303374347 656139014 /nfs/dbraw/zinc/13/90/14/656139014.db2.gz NAXRFPFPSVPXEA-LBPRGKRZSA-N 1 3 253.394 -0.040 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892558 656140288 /nfs/dbraw/zinc/14/02/88/656140288.db2.gz RIDBMNDZJZNOJY-JTQLQIEISA-N 1 3 269.393 -0.114 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000305076243 656141325 /nfs/dbraw/zinc/14/13/25/656141325.db2.gz LCMFFAURFOCUEU-GRYCIOLGSA-N 1 3 297.403 -0.592 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908201361 656664846 /nfs/dbraw/zinc/66/48/46/656664846.db2.gz FPXRWQNJGHBMOE-GFCCVEGCSA-N 1 3 255.362 -0.323 20 30 CBEDHO C#CCN(C)CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908437495 656725667 /nfs/dbraw/zinc/72/56/67/656725667.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CCN(C)CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908437495 656725676 /nfs/dbraw/zinc/72/56/76/656725676.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001022121607 790991657 /nfs/dbraw/zinc/99/16/57/790991657.db2.gz GTZASFHZCATQBJ-XJFOESAGSA-N 1 3 277.368 -0.280 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900123 814925028 /nfs/dbraw/zinc/92/50/28/814925028.db2.gz HZVPPUNUYJRHGJ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900123 814925033 /nfs/dbraw/zinc/92/50/33/814925033.db2.gz HZVPPUNUYJRHGJ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCCN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675389 805767793 /nfs/dbraw/zinc/76/77/93/805767793.db2.gz LYLGSYPRSALFTN-MGPQQGTHSA-N 1 3 279.384 -0.345 20 30 CBEDHO C#CCCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675389 805767796 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N#CCCN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160484396 815628157 /nfs/dbraw/zinc/62/81/57/815628157.db2.gz XNFLGILJEYGHQS-LBPRGKRZSA-N 1 3 267.377 -0.499 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145902 815108285 /nfs/dbraw/zinc/10/82/85/815108285.db2.gz FYCMDKNMVGSJQY-BETUJISGSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145902 815108289 /nfs/dbraw/zinc/10/82/89/815108289.db2.gz FYCMDKNMVGSJQY-BETUJISGSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224095 815111000 /nfs/dbraw/zinc/11/10/00/815111000.db2.gz RNZPTXPQAPFZRC-UHFFFAOYSA-N 1 3 294.399 -0.682 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H](O)COC)CC1 ZINC001152323871 815114951 /nfs/dbraw/zinc/11/49/51/815114951.db2.gz FPTJWOKKALILND-CQSZACIVSA-N 1 3 297.399 -0.955 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H](C)O)CC1 ZINC001152324353 815115309 /nfs/dbraw/zinc/11/53/09/815115309.db2.gz RRHJAOANONLTFE-GFCCVEGCSA-N 1 3 267.373 -0.582 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340732 815116183 /nfs/dbraw/zinc/11/61/83/815116183.db2.gz WPPPSGZBGPLESP-UHFFFAOYSA-N 1 3 296.415 -0.130 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974120 810981336 /nfs/dbraw/zinc/98/13/36/810981336.db2.gz NNMGBFZOCUXLIP-ZIAGYGMSSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100048792 811004188 /nfs/dbraw/zinc/00/41/88/811004188.db2.gz RCHKPLAWJMHTGQ-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100048792 811004193 /nfs/dbraw/zinc/00/41/93/811004193.db2.gz RCHKPLAWJMHTGQ-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076001 811014812 /nfs/dbraw/zinc/01/48/12/811014812.db2.gz DNOWUZMYHJIMCC-KBPBESRZSA-N 1 3 297.399 -0.861 20 30 CBEDHO C=C(C)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073760 811015383 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C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131405 811025435 /nfs/dbraw/zinc/02/54/35/811025435.db2.gz CMTXWSQJGROTHK-UONOGXRCSA-N 1 3 281.400 -0.099 20 30 CBEDHO CC(C)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)NO ZINC001157304537 815421918 /nfs/dbraw/zinc/42/19/18/815421918.db2.gz ZMKUPBQNQKMMEK-WDEREUQCSA-N 1 3 286.376 -0.650 20 30 CBEDHO N#C[C@@H]1CNCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157983262 815493956 /nfs/dbraw/zinc/49/39/56/815493956.db2.gz ZWASHNAMNVPJMO-VXGBXAGGSA-N 1 3 277.372 -0.815 20 30 CBEDHO N#C[C@@H]1CNCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157983262 815493964 /nfs/dbraw/zinc/49/39/64/815493964.db2.gz ZWASHNAMNVPJMO-VXGBXAGGSA-N 1 3 277.372 -0.815 20 30 CBEDHO N#C[C@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157983261 815494224 /nfs/dbraw/zinc/49/42/24/815494224.db2.gz ZWASHNAMNVPJMO-RYUDHWBXSA-N 1 3 277.372 -0.815 20 30 CBEDHO N#C[C@H]1CNCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157983261 815494228 /nfs/dbraw/zinc/49/42/28/815494228.db2.gz ZWASHNAMNVPJMO-RYUDHWBXSA-N 1 3 277.372 -0.815 20 30 CBEDHO C=CCN1CCC(NC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001121998120 813103237 /nfs/dbraw/zinc/10/32/37/813103237.db2.gz QFARKWSKTOYVKZ-UHFFFAOYSA-N 1 3 267.373 -0.147 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127637875 813738898 /nfs/dbraw/zinc/73/88/98/813738898.db2.gz AWAFBWUDOQICGP-CHWSQXEVSA-N 1 3 267.373 -0.318 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127637875 813738904 /nfs/dbraw/zinc/73/89/04/813738904.db2.gz AWAFBWUDOQICGP-CHWSQXEVSA-N 1 3 267.373 -0.318 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128773855 813797558 /nfs/dbraw/zinc/79/75/58/813797558.db2.gz GOPUXMMWXHTWGG-ZDUSSCGKSA-N 1 3 296.415 -0.131 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128773855 813797563 /nfs/dbraw/zinc/79/75/63/813797563.db2.gz GOPUXMMWXHTWGG-ZDUSSCGKSA-N 1 3 296.415 -0.131 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363003 813838687 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N#C[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160880523 815684081 /nfs/dbraw/zinc/68/40/81/815684081.db2.gz YMNSVFWKNYZOJV-NWDGAFQWSA-N 1 3 278.356 -0.388 20 30 CBEDHO N#C[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160879635 815684397 /nfs/dbraw/zinc/68/43/97/815684397.db2.gz RTGVJTJIOKKKTK-MNOVXSKESA-N 1 3 252.318 -0.936 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883689 815685399 /nfs/dbraw/zinc/68/53/99/815685399.db2.gz UDFKRELYEPNXHI-GFCCVEGCSA-N 1 3 284.404 -0.275 20 30 CBEDHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)NCC#N)[NH+](C)C ZINC001317277818 816956383 /nfs/dbraw/zinc/95/63/83/816956383.db2.gz AGAMHLBDQNISQX-DGCLKSJQSA-N 1 3 297.403 -0.693 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281579 816958030 /nfs/dbraw/zinc/95/80/30/816958030.db2.gz DSDJVSSYYDDUJZ-CHWSQXEVSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317281579 816958035 /nfs/dbraw/zinc/95/80/35/816958035.db2.gz DSDJVSSYYDDUJZ-CHWSQXEVSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653286 820807240 /nfs/dbraw/zinc/80/72/40/820807240.db2.gz WOMKPGYNNJTFBC-CHWSQXEVSA-N 1 3 292.383 -0.980 20 30 CBEDHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001183580933 821006901 /nfs/dbraw/zinc/00/69/01/821006901.db2.gz ADRZESKUNHAMDQ-VXGBXAGGSA-N 1 3 295.387 -0.843 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185707073 821139850 /nfs/dbraw/zinc/13/98/50/821139850.db2.gz WKCSTZVWCABLIP-OLZOCXBDSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186459032 821183565 /nfs/dbraw/zinc/18/35/65/821183565.db2.gz SXDDAHKENRJFMV-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001280681651 828370911 /nfs/dbraw/zinc/37/09/11/828370911.db2.gz KIVNDDDGGZPHIA-ZDUSSCGKSA-N 1 3 267.373 -0.223 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187283915 822263797 /nfs/dbraw/zinc/26/37/97/822263797.db2.gz DZUYFTAMDBTWTQ-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281636979 828421758 /nfs/dbraw/zinc/42/17/58/828421758.db2.gz QBEKZWIFSCXKGC-AWEZNQCLSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001284446056 828596725 /nfs/dbraw/zinc/59/67/25/828596725.db2.gz ZUJBKUUJYUHBIE-QWHCGFSZSA-N 1 3 269.389 -0.385 20 30 CBEDHO N#Cc1ccnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218503254 824572299 /nfs/dbraw/zinc/57/22/99/824572299.db2.gz DQLREWZXQCHKJH-SNVBAGLBSA-N 1 3 257.297 -0.299 20 30 CBEDHO N#Cc1ccnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218503253 824572391 /nfs/dbraw/zinc/57/23/91/824572391.db2.gz DQLREWZXQCHKJH-JTQLQIEISA-N 1 3 257.297 -0.299 20 30 CBEDHO Cc1noc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1C#N ZINC001218503492 824573704 /nfs/dbraw/zinc/57/37/04/824573704.db2.gz NVELFYIUOPJRMF-VIFPVBQESA-N 1 3 261.285 -0.398 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@]1(N)CC[NH2+]C1)CNCC2 ZINC001218552467 824589933 /nfs/dbraw/zinc/58/99/33/824589933.db2.gz GNOAYQSTRYHPFD-ZDUSSCGKSA-N 1 3 291.380 -0.105 20 30 CBEDHO N#Cc1c(NC(=O)C[C@@H](O)C[NH3+])sc2c1CCNC2 ZINC001218554883 824590701 /nfs/dbraw/zinc/59/07/01/824590701.db2.gz XBUWTIVYTLXETM-SSDOTTSWSA-N 1 3 280.353 -0.086 20 30 CBEDHO Cc1nc(C#N)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)o1 ZINC001218649979 824616207 /nfs/dbraw/zinc/61/62/07/824616207.db2.gz OZTKAZNINCFHJZ-NOZJJQNGSA-N 1 3 275.312 -0.008 20 30 CBEDHO C#Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C#C)n1 ZINC001218657309 824617336 /nfs/dbraw/zinc/61/73/36/824617336.db2.gz IJVOQWVXBANSED-LLVKDONJSA-N 1 3 281.319 -0.813 20 30 CBEDHO N#Cc1ccnnc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218700031 824623055 /nfs/dbraw/zinc/62/30/55/824623055.db2.gz BHUCVSNXDLSGSH-SNVBAGLBSA-N 1 3 260.301 -0.386 20 30 CBEDHO COC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220035361 824940376 /nfs/dbraw/zinc/94/03/76/824940376.db2.gz CGOUMIYIVYVMPB-UWVGGRQHSA-N 1 3 291.417 -0.367 20 30 CBEDHO C=C[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220392616 825028625 /nfs/dbraw/zinc/02/86/25/825028625.db2.gz IUEZEZXIAWHTFJ-WDEREUQCSA-N 1 3 253.346 -0.476 20 30 CBEDHO C=C[C@@H](CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220392616 825028631 /nfs/dbraw/zinc/02/86/31/825028631.db2.gz IUEZEZXIAWHTFJ-WDEREUQCSA-N 1 3 253.346 -0.476 20 30 CBEDHO C=C[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220392615 825028783 /nfs/dbraw/zinc/02/87/83/825028783.db2.gz IUEZEZXIAWHTFJ-QWRGUYRKSA-N 1 3 253.346 -0.476 20 30 CBEDHO C=C[C@@H](CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220392615 825028786 /nfs/dbraw/zinc/02/87/86/825028786.db2.gz IUEZEZXIAWHTFJ-QWRGUYRKSA-N 1 3 253.346 -0.476 20 30 CBEDHO C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220571629 825067037 /nfs/dbraw/zinc/06/70/37/825067037.db2.gz WHBRNEGZJNSOHK-HFAKWTLXSA-N 1 3 293.367 -0.581 20 30 CBEDHO N=C(NC(=O)[C@H](N)CCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643359 825080470 /nfs/dbraw/zinc/08/04/70/825080470.db2.gz BSTGOTNNOGQWBM-SNVBAGLBSA-N 1 3 277.328 -0.916 20 30 CBEDHO CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220701293 825087763 /nfs/dbraw/zinc/08/77/63/825087763.db2.gz ZKRNYVGXNXMZBR-MNOVXSKESA-N 1 3 250.346 -0.150 20 30 CBEDHO N#Cc1cnc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)s1 ZINC001220872269 825117421 /nfs/dbraw/zinc/11/74/21/825117421.db2.gz RETCFSXAQORWTQ-SECBINFHSA-N 1 3 277.353 -0.560 20 30 CBEDHO N#Cc1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001221089632 825144067 /nfs/dbraw/zinc/14/40/67/825144067.db2.gz UMIRVJKPWDXKDL-ZDUSSCGKSA-N 1 3 273.340 -0.104 20 30 CBEDHO N#CCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242762 825551141 /nfs/dbraw/zinc/55/11/41/825551141.db2.gz QTJOOJMLTARKGJ-SNVBAGLBSA-N 1 3 272.374 -0.696 20 30 CBEDHO C=CCOC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245974823 825616573 /nfs/dbraw/zinc/61/65/73/825616573.db2.gz OBJDSLLBMQYRIF-GRYCIOLGSA-N 1 3 262.325 -0.798 20 30 CBEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246028092 825626138 /nfs/dbraw/zinc/62/61/38/825626138.db2.gz ZUZCCXFNIWBUMN-STQMWFEESA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246028092 825626139 /nfs/dbraw/zinc/62/61/39/825626139.db2.gz ZUZCCXFNIWBUMN-STQMWFEESA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246028092 825626141 /nfs/dbraw/zinc/62/61/41/825626141.db2.gz ZUZCCXFNIWBUMN-STQMWFEESA-N 1 3 256.346 -0.827 20 30 CBEDHO CC(C)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)N[O-] ZINC001246514981 825679020 /nfs/dbraw/zinc/67/90/20/825679020.db2.gz BUTCSFBFZXGMCO-QWRGUYRKSA-N 1 3 270.377 -0.410 20 30 CBEDHO CN(C)CC#CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001251707745 825786181 /nfs/dbraw/zinc/78/61/81/825786181.db2.gz FEBSKFUIOVMPRI-AWEZNQCLSA-N 1 3 296.415 -0.303 20 30 CBEDHO CN(C)CC#CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001251707745 825786189 /nfs/dbraw/zinc/78/61/89/825786189.db2.gz FEBSKFUIOVMPRI-AWEZNQCLSA-N 1 3 296.415 -0.303 20 30 CBEDHO C#CCOC[C@@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001251847216 825794197 /nfs/dbraw/zinc/79/41/97/825794197.db2.gz BIXSSYQRMDCAQC-INIZCTEOSA-N 1 3 295.427 -0.291 20 30 CBEDHO C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC001262034762 826626597 /nfs/dbraw/zinc/62/65/97/826626597.db2.gz MXPWEGBMVQBMGS-CBKZZEEASA-N 1 3 262.357 -0.054 20 30 CBEDHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944629 827092815 /nfs/dbraw/zinc/09/28/15/827092815.db2.gz NHZOABUSFBRZJE-LLVKDONJSA-N 1 3 295.387 -0.795 20 30 CBEDHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)N(C)C ZINC001271170248 827671795 /nfs/dbraw/zinc/67/17/95/827671795.db2.gz JGZNTRDXOZJIMY-NEPJUHHUSA-N 1 3 297.403 -0.597 20 30 CBEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271211197 827677277 /nfs/dbraw/zinc/67/72/77/827677277.db2.gz WGZFHHNCEGAUIW-UKRRQHHQSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271211197 827677280 /nfs/dbraw/zinc/67/72/80/827677280.db2.gz WGZFHHNCEGAUIW-UKRRQHHQSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001272434223 827795704 /nfs/dbraw/zinc/79/57/04/827795704.db2.gz CMJZLRIRVACBIJ-LBPRGKRZSA-N 1 3 253.346 -0.829 20 30 CBEDHO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001272567011 827823207 /nfs/dbraw/zinc/82/32/07/827823207.db2.gz JGWCEOKERGKUOY-NSHDSACASA-N 1 3 266.345 -0.097 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)CN(C)CCC)CC1 ZINC001274571503 828002943 /nfs/dbraw/zinc/00/29/43/828002943.db2.gz CNXDLPXVGPETLC-UHFFFAOYSA-N 1 3 281.400 -0.096 20 30 CBEDHO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1(N(C)C)CCC1 ZINC001274787322 828030830 /nfs/dbraw/zinc/03/08/30/828030830.db2.gz JERWNNCEOVXVBV-LLVKDONJSA-N 1 3 295.387 -0.795 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202504 885965723 /nfs/dbraw/zinc/96/57/23/885965723.db2.gz KYRJKTFYPPETET-RYUDHWBXSA-N 1 3 297.403 -0.551 20 30 CBEDHO CN(CCC[NH3+])C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001333632011 887725696 /nfs/dbraw/zinc/72/56/96/887725696.db2.gz VVYGCASPNKFUPX-AKJDGMEZSA-N 1 3 250.346 -0.067 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)NCCN1CCN(CC)CC1 ZINC001464896932 915025683 /nfs/dbraw/zinc/02/56/83/915025683.db2.gz XYUGCWFWEBYYKA-UHFFFAOYSA-N 1 3 268.405 -0.142 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145759 884720369 /nfs/dbraw/zinc/72/03/69/884720369.db2.gz NNJLLGICABPMQR-CYBMUJFWSA-N 1 3 296.415 -0.181 20 30 CBEDHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)CCO1 ZINC001327131437 885268657 /nfs/dbraw/zinc/26/86/57/885268657.db2.gz RHDOEUFFDCWYBG-TUAOUCFPSA-N 1 3 268.361 -0.028 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327857072 885503882 /nfs/dbraw/zinc/50/38/82/885503882.db2.gz RJBXXHVVDJJAME-WDEREUQCSA-N 1 3 254.334 -0.498 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001328220627 885606510 /nfs/dbraw/zinc/60/65/10/885606510.db2.gz NQJIRVHSUZBTCB-SECBINFHSA-N 1 3 292.347 -0.826 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001329098664 885926153 /nfs/dbraw/zinc/92/61/53/885926153.db2.gz BHMAYRJCGQRDJO-GHMZBOCLSA-N 1 3 254.334 -0.416 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001331633565 886875864 /nfs/dbraw/zinc/87/58/64/886875864.db2.gz WMRKFDUHHSGFDZ-VXGBXAGGSA-N 1 3 295.387 -0.986 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001331633565 886875879 /nfs/dbraw/zinc/87/58/79/886875879.db2.gz WMRKFDUHHSGFDZ-VXGBXAGGSA-N 1 3 295.387 -0.986 20 30 CBEDHO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](CC)N(C)C ZINC001331738743 886946352 /nfs/dbraw/zinc/94/63/52/886946352.db2.gz IJKCGROOHQBMDS-NWDGAFQWSA-N 1 3 255.362 -0.583 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001346492386 890304035 /nfs/dbraw/zinc/30/40/35/890304035.db2.gz ISKAFDDNNLFDQK-RYUDHWBXSA-N 1 3 268.361 -0.026 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001346492368 890305202 /nfs/dbraw/zinc/30/52/02/890305202.db2.gz ISKAFDDNNLFDQK-NEPJUHHUSA-N 1 3 268.361 -0.026 20 30 CBEDHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)CCCC#N ZINC001349386140 890806061 /nfs/dbraw/zinc/80/60/61/890806061.db2.gz JVNMYOUOFKMLJD-GFCCVEGCSA-N 1 3 267.377 -0.629 20 30 CBEDHO C#CCNCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001354747353 891612415 /nfs/dbraw/zinc/61/24/15/891612415.db2.gz JNAGGGMWSMITQK-GASCZTMLSA-N 1 3 290.411 -0.364 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600405 921371368 /nfs/dbraw/zinc/37/13/68/921371368.db2.gz UVWGTZYFCAWPEY-UKRRQHHQSA-N 1 3 279.384 -0.486 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600405 921371381 /nfs/dbraw/zinc/37/13/81/921371381.db2.gz UVWGTZYFCAWPEY-UKRRQHHQSA-N 1 3 279.384 -0.486 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600404 921371445 /nfs/dbraw/zinc/37/14/45/921371445.db2.gz UVWGTZYFCAWPEY-HIFRSBDPSA-N 1 3 279.384 -0.486 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001502600404 921371453 /nfs/dbraw/zinc/37/14/53/921371453.db2.gz UVWGTZYFCAWPEY-HIFRSBDPSA-N 1 3 279.384 -0.486 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NCC#N ZINC001507063599 921666635 /nfs/dbraw/zinc/66/66/35/921666635.db2.gz RUDJUMJSGOHKIL-NEPJUHHUSA-N 1 3 295.387 -0.843 20 30 CBEDHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)N(C)C ZINC001507122596 921685518 /nfs/dbraw/zinc/68/55/18/921685518.db2.gz GLJNJGKBGROLNF-RYUDHWBXSA-N 1 3 297.403 -0.597 20 30 CBEDHO CN(C)CC#CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001471628710 915602489 /nfs/dbraw/zinc/60/24/89/915602489.db2.gz BWFWQUHRCJAQEI-UHFFFAOYSA-N 1 3 282.388 -0.693 20 30 CBEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480122119 916296504 /nfs/dbraw/zinc/29/65/04/916296504.db2.gz NNJLLGICABPMQR-ZDUSSCGKSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001480530503 916459149 /nfs/dbraw/zinc/45/91/49/916459149.db2.gz 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ZINC000491454201 332215105 /nfs/dbraw/zinc/21/51/05/332215105.db2.gz WUFZFUMCESQGRA-UHFFFAOYSA-N 1 3 280.416 -0.259 20 30 CBEDHO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000517567894 333102672 /nfs/dbraw/zinc/10/26/72/333102672.db2.gz WZUCYHGFUIODNU-UONOGXRCSA-N 1 3 284.404 -0.761 20 30 CBEDHO N#C[C@H]1CNC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485624 583125002 /nfs/dbraw/zinc/12/50/02/583125002.db2.gz ZNORFALJRPQDDH-AVGNSLFASA-N 1 3 258.325 -0.216 20 30 CBEDHO N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000834485626 583125090 /nfs/dbraw/zinc/12/50/90/583125090.db2.gz ZNORFALJRPQDDH-JHJVBQTASA-N 1 3 258.325 -0.216 20 30 CBEDHO C#CCN(C)CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000838623742 583151849 /nfs/dbraw/zinc/15/18/49/583151849.db2.gz KJIGBOHIFFJUPP-AWEZNQCLSA-N 1 3 284.404 -0.447 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306131 583439979 /nfs/dbraw/zinc/43/99/79/583439979.db2.gz MSFAIOPVPJDQJC-NWDGAFQWSA-N 1 3 253.346 -0.618 20 30 CBEDHO CN(C)CCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852885844 583568703 /nfs/dbraw/zinc/56/87/03/583568703.db2.gz CYVUKXGRMMYYTQ-UHFFFAOYSA-N 1 3 267.373 -0.316 20 30 CBEDHO N[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1F ZINC000852919423 583574962 /nfs/dbraw/zinc/57/49/62/583574962.db2.gz WNSCGAFCMFBDLX-VXGBXAGGSA-N 1 3 253.321 -0.113 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850850 584149627 /nfs/dbraw/zinc/14/96/27/584149627.db2.gz CXUHANMACWMALD-NEPJUHHUSA-N 1 3 286.807 -0.038 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884643018 584392540 /nfs/dbraw/zinc/39/25/40/584392540.db2.gz UYWPEQMKAKEKQP-STQMWFEESA-N 1 3 292.383 -0.674 20 30 CBEDHO C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492755 584891745 /nfs/dbraw/zinc/89/17/45/584891745.db2.gz SHKWTHCDDULUHR-ZAZJYDDPSA-N 1 3 295.383 -0.111 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000962759303 613131913 /nfs/dbraw/zinc/13/19/13/613131913.db2.gz AUPNTUQGRMTMGB-FICVDOATSA-N 1 3 291.395 -0.630 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000962759303 613131915 /nfs/dbraw/zinc/13/19/15/613131915.db2.gz AUPNTUQGRMTMGB-FICVDOATSA-N 1 3 291.395 -0.630 20 30 CBEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979056292 613309225 /nfs/dbraw/zinc/30/92/25/613309225.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 1 3 261.369 -0.135 20 30 CBEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979056292 613309227 /nfs/dbraw/zinc/30/92/27/613309227.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 1 3 261.369 -0.135 20 30 CBEDHO C=CCN1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374011 613816373 /nfs/dbraw/zinc/81/63/73/613816373.db2.gz KVNVHBAARCHSLI-ZIAGYGMSSA-N 1 3 281.400 -0.077 20 30 CBEDHO C#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000923201708 658169293 /nfs/dbraw/zinc/16/92/93/658169293.db2.gz RJQJMVWWSOOBRM-UONOGXRCSA-N 1 3 298.431 -0.058 20 30 CBEDHO C#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000923201708 658169300 /nfs/dbraw/zinc/16/93/00/658169300.db2.gz RJQJMVWWSOOBRM-UONOGXRCSA-N 1 3 298.431 -0.058 20 30 CBEDHO C[C@H](CNC(=[NH2+])N1CCOCC1)CN1CCN(C)CC1 ZINC000303874413 656139508 /nfs/dbraw/zinc/13/95/08/656139508.db2.gz HEHKOHBTFLQDFJ-CYBMUJFWSA-N 1 3 283.420 -0.483 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863636 656139549 /nfs/dbraw/zinc/13/95/49/656139549.db2.gz AKCQNIGUQDWYOB-NSHDSACASA-N 1 3 269.393 -0.147 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892559 656140422 /nfs/dbraw/zinc/14/04/22/656140422.db2.gz RIDBMNDZJZNOJY-SNVBAGLBSA-N 1 3 269.393 -0.114 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781489 656141582 /nfs/dbraw/zinc/14/15/82/656141582.db2.gz OZKMJBIFMXEPAD-GFCCVEGCSA-N 1 3 297.403 -0.766 20 30 CBEDHO C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879518 657153601 /nfs/dbraw/zinc/15/36/01/657153601.db2.gz MZBHWOAHGZJWOW-RYUDHWBXSA-N 1 3 254.378 -0.229 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001016337654 657694047 /nfs/dbraw/zinc/69/40/47/657694047.db2.gz SOQGKEFHSOVPAW-ZFWWWQNUSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001016337654 657694050 /nfs/dbraw/zinc/69/40/50/657694050.db2.gz SOQGKEFHSOVPAW-ZFWWWQNUSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812948 805629104 /nfs/dbraw/zinc/62/91/04/805629104.db2.gz YPJYDUFONFOSQB-JHJVBQTASA-N 1 3 265.357 -0.735 20 30 CBEDHO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076812948 805629106 /nfs/dbraw/zinc/62/91/06/805629106.db2.gz YPJYDUFONFOSQB-JHJVBQTASA-N 1 3 265.357 -0.735 20 30 CBEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373293 806288839 /nfs/dbraw/zinc/28/88/39/806288839.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 1 3 265.357 -0.735 20 30 CBEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373293 806288842 /nfs/dbraw/zinc/28/88/42/806288842.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 1 3 265.357 -0.735 20 30 CBEDHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001118134427 812474912 /nfs/dbraw/zinc/47/49/12/812474912.db2.gz SPBWHKGSAZORPJ-VXGBXAGGSA-N 1 3 268.361 -0.156 20 30 CBEDHO C#CCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148359809 814939890 /nfs/dbraw/zinc/93/98/90/814939890.db2.gz FMQFUKQVTKLRNY-UHFFFAOYSA-N 1 3 282.388 -0.827 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365370 814941770 /nfs/dbraw/zinc/94/17/70/814941770.db2.gz NPCWSBOAFFZUPK-CYBMUJFWSA-N 1 3 296.415 -0.438 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049232 815051497 /nfs/dbraw/zinc/05/14/97/815051497.db2.gz KONODELYFSNZIZ-GFCCVEGCSA-N 1 3 253.346 -0.706 20 30 CBEDHO COCC#CCNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049232 815051503 /nfs/dbraw/zinc/05/15/03/815051503.db2.gz KONODELYFSNZIZ-GFCCVEGCSA-N 1 3 253.346 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C=CCN1CCC[C@H]1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220868375 825115328 /nfs/dbraw/zinc/11/53/28/825115328.db2.gz HOZAMVXKPBIPLH-QWHCGFSZSA-N 1 3 294.399 -0.917 20 30 CBEDHO N#CC1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCOCC1 ZINC001220966968 825130465 /nfs/dbraw/zinc/13/04/65/825130465.db2.gz MWBLQRJAXBZHPS-NSHDSACASA-N 1 3 266.345 -0.498 20 30 CBEDHO C=CC[C@@](C)(NC(=O)[C@@H](N)CCC[NH3+])C(=O)OC ZINC001221381824 825180335 /nfs/dbraw/zinc/18/03/35/825180335.db2.gz JWSHOFHZUNWKCQ-JOYOIKCWSA-N 1 3 257.334 -0.323 20 30 CBEDHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCN[C@H](C#N)C1 ZINC001246513989 825678445 /nfs/dbraw/zinc/67/84/45/825678445.db2.gz XNWBSIWNHYKRNC-WOPDTQHZSA-N 1 3 267.377 -0.536 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC1)CNCCO2 ZINC001263222535 826755917 /nfs/dbraw/zinc/75/59/17/826755917.db2.gz GKSMFIASFVROGB-UHFFFAOYSA-N 1 3 291.395 -0.030 20 30 CBEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265441310 826892735 /nfs/dbraw/zinc/89/27/35/826892735.db2.gz BJICONSLWOYHML-UONOGXRCSA-N 1 3 279.384 -0.079 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001265484919 826899194 /nfs/dbraw/zinc/89/91/94/826899194.db2.gz RSSOECGYPRTXQK-JHJVBQTASA-N 1 3 294.399 -0.687 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001265566997 826904858 /nfs/dbraw/zinc/90/48/58/826904858.db2.gz RSSOECGYPRTXQK-FRRDWIJNSA-N 1 3 294.399 -0.687 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265821356 826924868 /nfs/dbraw/zinc/92/48/68/826924868.db2.gz RTGGHOWXGHJDTM-TZMCWYRMSA-N 1 3 296.415 -0.584 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001265870167 826931569 /nfs/dbraw/zinc/93/15/69/826931569.db2.gz KMXLZYJCKNGHSR-RYUDHWBXSA-N 1 3 294.399 -0.700 20 30 CBEDHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001266944684 827093273 /nfs/dbraw/zinc/09/32/73/827093273.db2.gz PACLHAXXHGXAAA-NSHDSACASA-N 1 3 295.387 -0.795 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001267468832 827175924 /nfs/dbraw/zinc/17/59/24/827175924.db2.gz DCXMRRGAUROCRY-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO COCC#CCNC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269522195 827516399 /nfs/dbraw/zinc/51/63/99/827516399.db2.gz KCGHCQXPDGMVGB-UHFFFAOYSA-N 1 3 291.395 -0.030 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCO)CC1 ZINC001269517729 827516544 /nfs/dbraw/zinc/51/65/44/827516544.db2.gz ZNWGASOWZPHZFV-CQSZACIVSA-N 1 3 281.400 -0.192 20 30 CBEDHO C=CC[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC001272258000 827775366 /nfs/dbraw/zinc/77/53/66/827775366.db2.gz AJRISSHEAUSDGH-ZDUSSCGKSA-N 1 3 269.389 -0.075 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001273929450 827943241 /nfs/dbraw/zinc/94/32/41/827943241.db2.gz KMBZTXUJGTWPLO-ZBFHGGJFSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN[C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001273929450 827943249 /nfs/dbraw/zinc/94/32/49/827943249.db2.gz KMBZTXUJGTWPLO-ZBFHGGJFSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001277863635 828214202 /nfs/dbraw/zinc/21/42/02/828214202.db2.gz QLABRWPFKOMIKZ-CHWSQXEVSA-N 1 3 296.415 -0.488 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001278773939 828286558 /nfs/dbraw/zinc/28/65/58/828286558.db2.gz NSUYMALVCZOLSN-CHWSQXEVSA-N 1 3 269.389 -0.241 20 30 CBEDHO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001331787389 886981946 /nfs/dbraw/zinc/98/19/46/886981946.db2.gz IFKRLMYABBNHSE-QWHCGFSZSA-N 1 3 269.389 -0.029 20 30 CBEDHO C[NH+](C)CCC(=O)NCC1(NCC(=O)NCC#N)CCC1 ZINC001326876893 885179307 /nfs/dbraw/zinc/17/93/07/885179307.db2.gz DANQOCVKYSAWDE-UHFFFAOYSA-N 1 3 295.387 -0.794 20 30 CBEDHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC001327129700 885266349 /nfs/dbraw/zinc/26/63/49/885266349.db2.gz AUDNLMHZXJVAJV-WDEREUQCSA-N 1 3 254.334 -0.498 20 30 CBEDHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CCCC#N ZINC001330608076 886501405 /nfs/dbraw/zinc/50/14/05/886501405.db2.gz LVRKADOENHMIQU-NSHDSACASA-N 1 3 256.350 -0.298 20 30 CBEDHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001330876311 886609450 /nfs/dbraw/zinc/60/94/50/886609450.db2.gz KPXDQYBRUBYBFL-ARCGFLRYSA-N 1 3 262.357 -0.008 20 30 CBEDHO C=CC[NH2+][C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001331727497 886938472 /nfs/dbraw/zinc/93/84/72/886938472.db2.gz YDTPWAZPWNTDIC-LLVKDONJSA-N 1 3 255.362 -0.277 20 30 CBEDHO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC001331725363 886938722 /nfs/dbraw/zinc/93/87/22/886938722.db2.gz NDBAEDKHMGSVHV-RYUDHWBXSA-N 1 3 257.378 -0.175 20 30 CBEDHO C=CC[NH2+][C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001331727498 886938994 /nfs/dbraw/zinc/93/89/94/886938994.db2.gz YDTPWAZPWNTDIC-NSHDSACASA-N 1 3 255.362 -0.277 20 30 CBEDHO C[C@H]([NH3+])CCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001333184437 887555446 /nfs/dbraw/zinc/55/54/46/887555446.db2.gz XSMVGCVECYGJRE-URAGZPLESA-N 1 3 250.346 -0.021 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336573746 888800870 /nfs/dbraw/zinc/80/08/70/888800870.db2.gz RNZOWZLSNTXOJW-AULYBMBSSA-N 1 3 294.399 -0.394 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001338488325 889167770 /nfs/dbraw/zinc/16/77/70/889167770.db2.gz KTXVQOFDIYOXIZ-CYBMUJFWSA-N 1 3 270.373 -0.567 20 30 CBEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001342724053 889821998 /nfs/dbraw/zinc/82/19/98/889821998.db2.gz SDHFTXIXEGAWNL-DGCLKSJQSA-N 1 3 255.362 -0.018 20 30 CBEDHO C=CCN1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001347150542 890419426 /nfs/dbraw/zinc/41/94/26/890419426.db2.gz ZGYFVOBMKLQTRI-UHFFFAOYSA-N 1 3 278.360 -0.383 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001353301123 891398012 /nfs/dbraw/zinc/39/80/12/891398012.db2.gz PQMTXATXRAODOH-GFCCVEGCSA-N 1 3 256.346 -0.957 20 30 CBEDHO C[NH+](C)CC#CCNC[C@@H](O)C1(O)CCOCC1 ZINC001353301123 891398027 /nfs/dbraw/zinc/39/80/27/891398027.db2.gz PQMTXATXRAODOH-GFCCVEGCSA-N 1 3 256.346 -0.957 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001502600403 921370209 /nfs/dbraw/zinc/37/02/09/921370209.db2.gz UVWGTZYFCAWPEY-DZGCQCFKSA-N 1 3 279.384 -0.486 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001502600403 921370221 /nfs/dbraw/zinc/37/02/21/921370221.db2.gz UVWGTZYFCAWPEY-DZGCQCFKSA-N 1 3 279.384 -0.486 20 30 CBEDHO C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001480530504 916461030 /nfs/dbraw/zinc/46/10/30/916461030.db2.gz IMBYYXDMCDHOHB-RYUDHWBXSA-N 1 3 282.388 -0.830 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571577 916477431 /nfs/dbraw/zinc/47/74/31/916477431.db2.gz IVJCFLAYMAVXBQ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571577 916477436 /nfs/dbraw/zinc/47/74/36/916477436.db2.gz IVJCFLAYMAVXBQ-QWHCGFSZSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571575 916479401 /nfs/dbraw/zinc/47/94/01/916479401.db2.gz IVJCFLAYMAVXBQ-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480571575 916479416 /nfs/dbraw/zinc/47/94/16/916479416.db2.gz IVJCFLAYMAVXBQ-CHWSQXEVSA-N 1 3 294.399 -0.828 20 30 CBEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001481877000 917013427 /nfs/dbraw/zinc/01/34/27/917013427.db2.gz YQNSOMTYVCCGDJ-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001481877000 917013438 /nfs/dbraw/zinc/01/34/38/917013438.db2.gz YQNSOMTYVCCGDJ-VXGBXAGGSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001483263026 917501447 /nfs/dbraw/zinc/50/14/47/917501447.db2.gz BPPONIVZCSAAKE-RYUDHWBXSA-N 1 3 282.388 -0.830 20 30 CBEDHO C#CCC[NH2+]CCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC001484493869 917876523 /nfs/dbraw/zinc/87/65/23/917876523.db2.gz MCNJVUZWDGCKPR-AWEZNQCLSA-N 1 3 281.400 -0.238 20 30 CBEDHO CC#CC[NH2+]CCN(CCO)C(=O)[C@H](CC)N(C)C ZINC001484499560 917880421 /nfs/dbraw/zinc/88/04/21/917880421.db2.gz XHUZNDRRYDRGGM-ZDUSSCGKSA-N 1 3 269.389 -0.240 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001497031464 920216524 /nfs/dbraw/zinc/21/65/24/920216524.db2.gz APTHDTGPYIWZPJ-CYBMUJFWSA-N 1 3 281.400 -0.049 20 30 CBEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497905626 920421312 /nfs/dbraw/zinc/42/13/12/920421312.db2.gz OXWBUIHKUYTDFB-TZMCWYRMSA-N 1 3 296.415 -0.584 20 30 CBEDHO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN1CC[C@H](C)C1 ZINC001497909703 920421943 /nfs/dbraw/zinc/42/19/43/920421943.db2.gz BIUXZZADRMDIIY-NWDGAFQWSA-N 1 3 295.387 -0.938 20 30 CBEDHO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001507506449 921860979 /nfs/dbraw/zinc/86/09/79/921860979.db2.gz FVGUXIGRTKCREQ-GFCCVEGCSA-N 1 3 266.345 -0.063 20 30 CBEDHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C#N)CCN(C)CC1 ZINC001520969002 922328809 /nfs/dbraw/zinc/32/88/09/922328809.db2.gz HRFNITHRRUOZPJ-OLZOCXBDSA-N 1 3 291.399 -0.521 20 30 CBEDHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(C#N)CCN(C)CC1 ZINC001520969002 922328820 /nfs/dbraw/zinc/32/88/20/922328820.db2.gz HRFNITHRRUOZPJ-OLZOCXBDSA-N 1 3 291.399 -0.521 20 30 CBEDHO C=CCNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312779895 352775925 /nfs/dbraw/zinc/77/59/25/352775925.db2.gz HOSCLBNVWPNLLO-TXEJJXNPSA-N 1 3 280.372 -0.070 20 30 CBEDHO COCCN(C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160302 354212479 /nfs/dbraw/zinc/21/24/79/354212479.db2.gz UDSMIECFFNFUEN-NSHDSACASA-N 1 3 256.350 -0.298 20 30 CBEDHO C=CCN1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000430711477 354250855 /nfs/dbraw/zinc/25/08/55/354250855.db2.gz WWLMGRPFMGAFDB-UHFFFAOYSA-N 1 3 253.346 -0.259 20 30 CBEDHO CCO[C@@H]1CN(C(=O)[C@H](N)CCCC#N)C[C@H]1C[NH3+] ZINC000593916960 355230102 /nfs/dbraw/zinc/23/01/02/355230102.db2.gz RWWBYLANGYPHRK-IJLUTSLNSA-N 1 3 268.361 -0.170 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627386911 356637153 /nfs/dbraw/zinc/63/71/53/356637153.db2.gz ZWIIONFZFYEUHC-WCQYABFASA-N 1 3 294.399 -0.380 20 30 CBEDHO C=CCN1CC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236031 373779128 /nfs/dbraw/zinc/77/91/28/373779128.db2.gz RNKQGXFQCRDYLC-QWHCGFSZSA-N 1 3 294.399 -0.440 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011830 220247773 /nfs/dbraw/zinc/24/77/73/220247773.db2.gz UJMLPTQVGAPWKU-NEPJUHHUSA-N 1 3 270.377 -0.210 20 30 CBEDHO C[NH+]=C(NCC(=O)N(C)C)NC1CCN(C2CC2)CC1 ZINC000262260308 220249919 /nfs/dbraw/zinc/24/99/19/220249919.db2.gz DOVZZYVIBCEZNN-UHFFFAOYSA-N 1 3 281.404 -0.134 20 30 CBEDHO C[C@H]1CN(C(=[NH2+])NC[C@]2(O)CCN(C)C2)CCO1 ZINC000262469268 220251567 /nfs/dbraw/zinc/25/15/67/220251567.db2.gz OKXBTKXYCZLVEW-CMPLNLGQSA-N 1 3 256.350 -0.912 20 30 CBEDHO C=CC[C@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000662812784 419733631 /nfs/dbraw/zinc/73/36/31/419733631.db2.gz FTWNUYLMYOCNTF-DGCLKSJQSA-N 1 3 253.346 -0.211 20 30 CBEDHO C=CC[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]1 ZINC000662947012 419790488 /nfs/dbraw/zinc/79/04/88/419790488.db2.gz GCJJKZNRJQOLDC-CQSZACIVSA-N 1 3 291.355 -0.045 20 30 CBEDHO CN(C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264115258 273794627 /nfs/dbraw/zinc/79/46/27/273794627.db2.gz PQAJLAXFMFTBPQ-UHFFFAOYSA-N 1 3 291.403 -0.135 20 30 CBEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN2CCN1CC2 ZINC000262758926 279329891 /nfs/dbraw/zinc/32/98/91/279329891.db2.gz FFZOBYVJSJSYBX-KBPBESRZSA-N 1 3 294.447 -0.625 20 30 CBEDHO CN1CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C[NH3+])C1 ZINC000582604825 329114784 /nfs/dbraw/zinc/11/47/84/329114784.db2.gz HBGRJMFOWOFPQN-MNOVXSKESA-N 1 3 253.350 -0.891 20 30 CBEDHO C#CCN(C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000491654122 332266441 /nfs/dbraw/zinc/26/64/41/332266441.db2.gz PBUJRMJYODGIRY-GFCCVEGCSA-N 1 3 252.362 -0.022 20 30 CBEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491737517 332317008 /nfs/dbraw/zinc/31/70/08/332317008.db2.gz DZGDLXGJOLVDKB-LBPRGKRZSA-N 1 3 252.362 -0.007 20 30 CBEDHO C#CCN(C)CCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491753010 332328579 /nfs/dbraw/zinc/32/85/79/332328579.db2.gz NLWXNQIMFUGNEX-CYBMUJFWSA-N 1 3 281.404 -0.856 20 30 CBEDHO COC(=O)CCN1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000788724665 582386810 /nfs/dbraw/zinc/38/68/10/582386810.db2.gz CPOOXJXQKUJBNT-JTQLQIEISA-N 1 3 281.360 -0.061 20 30 CBEDHO OC[C@H](NCC#CC[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000792878343 582396421 /nfs/dbraw/zinc/39/64/21/582396421.db2.gz VOADPKRTDAUFMJ-KBPBESRZSA-N 1 3 252.358 -0.289 20 30 CBEDHO OC[C@@H](NCC#CC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000792878347 582396442 /nfs/dbraw/zinc/39/64/42/582396442.db2.gz VOADPKRTDAUFMJ-ZIAGYGMSSA-N 1 3 252.358 -0.289 20 30 CBEDHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CNC[C@H]2C#N)C1(C)C ZINC000834484979 583124978 /nfs/dbraw/zinc/12/49/78/583124978.db2.gz QMRBMFBRZOVRQQ-BIAAXOCRSA-N 1 3 280.372 -0.253 20 30 CBEDHO C#CCN(C)CCCNC(=O)N(C)CCOCC[NH3+] ZINC000861634881 583773666 /nfs/dbraw/zinc/77/36/66/583773666.db2.gz UTNZXCPLELPXDB-UHFFFAOYSA-N 1 3 270.377 -0.442 20 30 CBEDHO C#CCN(C)CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861634910 583773669 /nfs/dbraw/zinc/77/36/69/583773669.db2.gz VIQMIWDTLHQCAT-UHFFFAOYSA-N 1 3 282.388 -0.251 20 30 CBEDHO CNC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000303387467 656139003 /nfs/dbraw/zinc/13/90/03/656139003.db2.gz WSVDMMPKWNLMMY-SNVBAGLBSA-N 1 3 255.366 -0.537 20 30 CBEDHO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000303880954 656139329 /nfs/dbraw/zinc/13/93/29/656139329.db2.gz KKSIKSBGFZPLCN-QWHCGFSZSA-N 1 3 285.436 -0.191 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908201362 656665364 /nfs/dbraw/zinc/66/53/64/656665364.db2.gz FPXRWQNJGHBMOE-LBPRGKRZSA-N 1 3 255.362 -0.323 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911235458 656993708 /nfs/dbraw/zinc/99/37/08/656993708.db2.gz FEMNZQOFRVFOOM-DGCLKSJQSA-N 1 3 294.399 -0.441 20 30 CBEDHO C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879516 657154076 /nfs/dbraw/zinc/15/40/76/657154076.db2.gz MZBHWOAHGZJWOW-NEPJUHHUSA-N 1 3 254.378 -0.229 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001016337648 657694299 /nfs/dbraw/zinc/69/42/99/657694299.db2.gz SOQGKEFHSOVPAW-HIFRSBDPSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001016337648 657694303 /nfs/dbraw/zinc/69/43/03/657694303.db2.gz SOQGKEFHSOVPAW-HIFRSBDPSA-N 1 3 293.411 -0.097 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001020178854 658021455 /nfs/dbraw/zinc/02/14/55/658021455.db2.gz GTZASFHZCATQBJ-XDQVBPFNSA-N 1 3 277.368 -0.280 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001020178853 658021757 /nfs/dbraw/zinc/02/17/57/658021757.db2.gz GTZASFHZCATQBJ-SYQHCUMBSA-N 1 3 277.368 -0.280 20 30 CBEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053541 806482334 /nfs/dbraw/zinc/48/23/34/806482334.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 1 3 267.373 -0.325 20 30 CBEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053541 806482337 /nfs/dbraw/zinc/48/23/37/806482337.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 1 3 267.373 -0.325 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046849573 801798689 /nfs/dbraw/zinc/79/86/89/801798689.db2.gz HMISCVGYDYFESR-INIZCTEOSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)CC1 ZINC001046849573 801798690 /nfs/dbraw/zinc/79/86/90/801798690.db2.gz HMISCVGYDYFESR-INIZCTEOSA-N 1 3 293.411 -0.096 20 30 CBEDHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NCC#N ZINC001148359725 814939344 /nfs/dbraw/zinc/93/93/44/814939344.db2.gz AFYKJFLEIFHVEH-UHFFFAOYSA-N 1 3 283.376 -0.936 20 30 CBEDHO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)CCC)C1=O ZINC001148643372 814954205 /nfs/dbraw/zinc/95/42/05/814954205.db2.gz XFRJLWDCTNODQU-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)N(C)C ZINC001322041537 803853015 /nfs/dbraw/zinc/85/30/15/803853015.db2.gz HUXUAVJULPPOQL-QWRGUYRKSA-N 1 3 283.376 -0.939 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985916 810983980 /nfs/dbraw/zinc/98/39/80/810983980.db2.gz GYHFPFBZPUSCQY-OLZOCXBDSA-N 1 3 267.373 -0.487 20 30 CBEDHO C=C(C)CN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073758 811015636 /nfs/dbraw/zinc/01/56/36/811015636.db2.gz GQMUDJSQADQOHW-KBPBESRZSA-N 1 3 299.415 -0.308 20 30 CBEDHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)CCC)[C@H](O)C1 ZINC001100082578 811019076 /nfs/dbraw/zinc/01/90/76/811019076.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCC)[C@H](O)C1 ZINC001100082578 811019083 /nfs/dbraw/zinc/01/90/83/811019083.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 1 3 281.400 -0.097 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001118137392 812477030 /nfs/dbraw/zinc/47/70/30/812477030.db2.gz BXUBAOMOLDYOAQ-CHWSQXEVSA-N 1 3 279.388 -0.486 20 30 CBEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118200672 812493784 /nfs/dbraw/zinc/49/37/84/812493784.db2.gz FDONNWSQLNEUAJ-STQMWFEESA-N 1 3 279.388 -0.486 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118322700 812529564 /nfs/dbraw/zinc/52/95/64/812529564.db2.gz NWEYMNGWVQAIIH-KGLIPLIRSA-N 1 3 293.415 -0.096 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001118384504 812543241 /nfs/dbraw/zinc/54/32/41/812543241.db2.gz UXFXTUUDCPBGOP-VXGBXAGGSA-N 1 3 268.361 -0.108 20 30 CBEDHO N#CCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001118384499 812543541 /nfs/dbraw/zinc/54/35/41/812543541.db2.gz UXFXTUUDCPBGOP-NEPJUHHUSA-N 1 3 268.361 -0.108 20 30 CBEDHO C#CC[NH2+]CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC001121902672 813088464 /nfs/dbraw/zinc/08/84/64/813088464.db2.gz BYHDSDRJKALJJK-ZDUSSCGKSA-N 1 3 267.373 -0.318 20 30 CBEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001127067116 813709028 /nfs/dbraw/zinc/70/90/28/813709028.db2.gz WVEIZUCOZQBXQG-GFCCVEGCSA-N 1 3 295.387 -0.795 20 30 CBEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001127067116 813709036 /nfs/dbraw/zinc/70/90/36/813709036.db2.gz WVEIZUCOZQBXQG-GFCCVEGCSA-N 1 3 295.387 -0.795 20 30 CBEDHO CC#CCNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562743 813735771 /nfs/dbraw/zinc/73/57/71/813735771.db2.gz OWFMEIVHBFZCDZ-UHFFFAOYSA-N 1 3 277.372 -0.213 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643846 813740092 /nfs/dbraw/zinc/74/00/92/813740092.db2.gz NSTDAFGUBBZPJR-YNEHKIRRSA-N 1 3 294.399 -0.830 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643846 813740097 /nfs/dbraw/zinc/74/00/97/813740097.db2.gz NSTDAFGUBBZPJR-YNEHKIRRSA-N 1 3 294.399 -0.830 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129437390 813844875 /nfs/dbraw/zinc/84/48/75/813844875.db2.gz ZVEKZDRISOANTO-CYBMUJFWSA-N 1 3 267.373 -0.318 20 30 CBEDHO C=CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992329 813893699 /nfs/dbraw/zinc/89/36/99/813893699.db2.gz 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/nfs/dbraw/zinc/31/34/11/814313411.db2.gz BIDGCDRCJRMJEJ-CHWSQXEVSA-N 1 3 267.373 -0.460 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513134 814481770 /nfs/dbraw/zinc/48/17/70/814481770.db2.gz HJCUDSQZBXVHIX-GFCCVEGCSA-N 1 3 282.388 -0.828 20 30 CBEDHO C=CCN1CC[C@@H](NCCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146704524 814844102 /nfs/dbraw/zinc/84/41/02/814844102.db2.gz DANULWBAUZACBU-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO C=CCN1CC[C@@H](NCCNC(=O)CC[N@H+](C)CC)C1=O ZINC001146704524 814844104 /nfs/dbraw/zinc/84/41/04/814844104.db2.gz DANULWBAUZACBU-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO COCC#CCNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885850 814923010 /nfs/dbraw/zinc/92/30/10/814923010.db2.gz PQKQYWGLTBNECP-ZDUSSCGKSA-N 1 3 267.373 -0.316 20 30 CBEDHO COCC#CCNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885850 814923015 /nfs/dbraw/zinc/92/30/15/814923015.db2.gz PQKQYWGLTBNECP-ZDUSSCGKSA-N 1 3 267.373 -0.316 20 30 CBEDHO N#CCCN(CCC#N)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160749909 815666361 /nfs/dbraw/zinc/66/63/61/815666361.db2.gz ALKFGUXVRGNLDJ-GFCCVEGCSA-N 1 3 263.345 -0.031 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160933722 815688675 /nfs/dbraw/zinc/68/86/75/815688675.db2.gz NQAHBWMWWJIRIQ-MNOVXSKESA-N 1 3 252.318 -0.936 20 30 CBEDHO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161140606 815720330 /nfs/dbraw/zinc/72/03/30/815720330.db2.gz IQROKFFYDUKXOC-DCAQKATOSA-N 1 3 254.309 -0.224 20 30 CBEDHO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161139453 815720427 /nfs/dbraw/zinc/72/04/27/815720427.db2.gz UTXUGURGZXCJKY-LPEHRKFASA-N 1 3 252.293 -0.742 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCO)CC1 ZINC001317294160 816960031 /nfs/dbraw/zinc/96/00/31/816960031.db2.gz JRGHCSZUWRSWMD-LBPRGKRZSA-N 1 3 267.373 -0.582 20 30 CBEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC001320274802 817311213 /nfs/dbraw/zinc/31/12/13/817311213.db2.gz RRGSVLGMNGDVNL-NEPJUHHUSA-N 1 3 255.362 -0.583 20 30 CBEDHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N(C)C ZINC001166857246 820042979 /nfs/dbraw/zinc/04/29/79/820042979.db2.gz AGDJMPLSXKKOQX-NSHDSACASA-N 1 3 283.376 -0.938 20 30 CBEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCO)CC1 ZINC001176926139 820479662 /nfs/dbraw/zinc/47/96/62/820479662.db2.gz HIVDMBUWHLIEFQ-UHFFFAOYSA-N 1 3 267.373 -0.580 20 30 CBEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H](C)O)CC1 ZINC001176926836 820481714 /nfs/dbraw/zinc/48/17/14/820481714.db2.gz XFTYTHQFXXCOQO-CYBMUJFWSA-N 1 3 281.400 -0.192 20 30 CBEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249446 821111455 /nfs/dbraw/zinc/11/14/55/821111455.db2.gz XUBMXUOANYXMCR-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115598 821213019 /nfs/dbraw/zinc/21/30/19/821213019.db2.gz OBXLIQJSUHAOAS-CQSZACIVSA-N 1 3 297.399 -0.595 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187291413 822263710 /nfs/dbraw/zinc/26/37/10/822263710.db2.gz RIHWPKPNYKVIJH-CYBMUJFWSA-N 1 3 294.399 -0.732 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281636981 828421341 /nfs/dbraw/zinc/42/13/41/828421341.db2.gz QBEKZWIFSCXKGC-CQSZACIVSA-N 1 3 293.411 -0.096 20 30 CBEDHO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001284457848 828598830 /nfs/dbraw/zinc/59/88/30/828598830.db2.gz XXLKUTANLUNGNG-NWDGAFQWSA-N 1 3 257.378 -0.079 20 30 CBEDHO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)N(C)C ZINC001284457847 828598658 /nfs/dbraw/zinc/59/86/58/828598658.db2.gz XXLKUTANLUNGNG-NEPJUHHUSA-N 1 3 257.378 -0.079 20 30 CBEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825415 824203645 /nfs/dbraw/zinc/20/36/45/824203645.db2.gz DBAPXUZSVKQANY-ZIAGYGMSSA-N 1 3 299.415 -0.308 20 30 CBEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418897 824470995 /nfs/dbraw/zinc/47/09/95/824470995.db2.gz GGHODVLNTIZOCO-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]CCN1)CNCC2 ZINC001218553849 824590050 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COC(=O)n1ncc(C#N)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001220415747 825035350 /nfs/dbraw/zinc/03/53/50/825035350.db2.gz VJRJQNRIJSWYJL-MRVPVSSYSA-N 1 3 280.288 -0.626 20 30 CBEDHO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220498811 825050085 /nfs/dbraw/zinc/05/00/85/825050085.db2.gz LWEXYXPLTUJAOO-DTWKUNHWSA-N 1 3 256.306 -0.986 20 30 CBEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220571631 825065697 /nfs/dbraw/zinc/06/56/97/825065697.db2.gz WHBRNEGZJNSOHK-UEKVPHQBSA-N 1 3 293.367 -0.581 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220868450 825115657 /nfs/dbraw/zinc/11/56/57/825115657.db2.gz KIRWGNTZYVFTQZ-SDDRHHMPSA-N 1 3 253.346 -0.667 20 30 CBEDHO N#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCOCC1 ZINC001220966896 825130030 /nfs/dbraw/zinc/13/00/30/825130030.db2.gz KEBSVWXVVGNIQW-BXUZGUMPSA-N 1 3 278.356 -0.626 20 30 CBEDHO N#CCCC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001261461021 826518171 /nfs/dbraw/zinc/51/81/71/826518171.db2.gz 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/nfs/dbraw/zinc/09/97/83/827099783.db2.gz ISXYPBNALFUNBW-NEPJUHHUSA-N 1 3 282.388 -0.830 20 30 CBEDHO C#CCNC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267458911 827174211 /nfs/dbraw/zinc/17/42/11/827174211.db2.gz MNTZLRVSQNHYFG-AWEZNQCLSA-N 1 3 296.415 -0.630 20 30 CBEDHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)N(C)C ZINC001268330498 827304375 /nfs/dbraw/zinc/30/43/75/827304375.db2.gz KQTDFGJEPSNYIX-OLZOCXBDSA-N 1 3 285.388 -0.957 20 30 CBEDHO C=CC[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001272434816 827797185 /nfs/dbraw/zinc/79/71/85/827797185.db2.gz KVBFNUAVXYJAEZ-NSHDSACASA-N 1 3 255.362 -0.277 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278017890 828231863 /nfs/dbraw/zinc/23/18/63/828231863.db2.gz QVRMEJDAPVOVQF-STQMWFEESA-N 1 3 294.399 -0.876 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278017890 828231870 /nfs/dbraw/zinc/23/18/70/828231870.db2.gz QVRMEJDAPVOVQF-STQMWFEESA-N 1 3 294.399 -0.876 20 30 CBEDHO C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396656 828268373 /nfs/dbraw/zinc/26/83/73/828268373.db2.gz BPTGHEYDKUOADC-NEPJUHHUSA-N 1 3 295.387 -0.843 20 30 CBEDHO C[NH2+]CCN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001331970531 887072559 /nfs/dbraw/zinc/07/25/59/887072559.db2.gz WESAAUREYMCBGH-AKJDGMEZSA-N 1 3 250.346 -0.196 20 30 CBEDHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001326568518 885068234 /nfs/dbraw/zinc/06/82/34/885068234.db2.gz ZSVPFNCBCYTESU-AXFHLTTASA-N 1 3 254.334 -0.418 20 30 CBEDHO N#CCCCC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001326784441 885143885 /nfs/dbraw/zinc/14/38/85/885143885.db2.gz QQBPQXXJXBMAFC-GFCCVEGCSA-N 1 3 267.377 -0.581 20 30 CBEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001328155727 885586808 /nfs/dbraw/zinc/58/68/08/885586808.db2.gz LTSLSCCHPPOEPO-ZDUSSCGKSA-N 1 3 279.384 -0.343 20 30 CBEDHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C#CC2CC[NH2+]CC2)n1 ZINC001328458975 885695690 /nfs/dbraw/zinc/69/56/90/885695690.db2.gz KSLAWTGZJUSVOP-UHFFFAOYSA-N 1 3 289.339 -0.740 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202502 885965780 /nfs/dbraw/zinc/96/57/80/885965780.db2.gz KYRJKTFYPPETET-NEPJUHHUSA-N 1 3 297.403 -0.551 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331630783 886872908 /nfs/dbraw/zinc/87/29/08/886872908.db2.gz JQFCRXRMFYVAES-QWHCGFSZSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001331630783 886872930 /nfs/dbraw/zinc/87/29/30/886872930.db2.gz JQFCRXRMFYVAES-QWHCGFSZSA-N 1 3 296.415 -0.323 20 30 CBEDHO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC001331725362 886940176 /nfs/dbraw/zinc/94/01/76/886940176.db2.gz NDBAEDKHMGSVHV-NEPJUHHUSA-N 1 3 257.378 -0.175 20 30 CBEDHO C[NH2+]CCOCCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001331969019 887069670 /nfs/dbraw/zinc/06/96/70/887069670.db2.gz MKDLXVNRYSOCDS-MBHSVXNSSA-N 1 3 280.372 -0.522 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]([NH3+])(CO)C1 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CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC#N ZINC001481876999 917014061 /nfs/dbraw/zinc/01/40/61/917014061.db2.gz YQNSOMTYVCCGDJ-RYUDHWBXSA-N 1 3 295.387 -0.938 20 30 CBEDHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC#N ZINC001481876999 917014076 /nfs/dbraw/zinc/01/40/76/917014076.db2.gz YQNSOMTYVCCGDJ-RYUDHWBXSA-N 1 3 295.387 -0.938 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1CCC ZINC001482736401 917244974 /nfs/dbraw/zinc/24/49/74/917244974.db2.gz WTBFRNCIDVWTSA-CHWSQXEVSA-N 1 3 267.373 -0.439 20 30 CBEDHO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1CCC ZINC001482736403 917245107 /nfs/dbraw/zinc/24/51/07/917245107.db2.gz WTBFRNCIDVWTSA-QWHCGFSZSA-N 1 3 267.373 -0.439 20 30 CBEDHO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266363 917499414 /nfs/dbraw/zinc/49/94/14/917499414.db2.gz JBTUGJYLQGRCNF-OLZOCXBDSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCNC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484694814 917925925 /nfs/dbraw/zinc/92/59/25/917925925.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001498114298 920486455 /nfs/dbraw/zinc/48/64/55/920486455.db2.gz GHUODVWHDFAZFF-XQQFMLRXSA-N 1 3 296.415 -0.441 20 30 CBEDHO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C#N)CCN(C)CC1 ZINC001520969003 922329278 /nfs/dbraw/zinc/32/92/78/922329278.db2.gz HRFNITHRRUOZPJ-QWHCGFSZSA-N 1 3 291.399 -0.521 20 30 CBEDHO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(C#N)CCN(C)CC1 ZINC001520969003 922329294 /nfs/dbraw/zinc/32/92/94/922329294.db2.gz HRFNITHRRUOZPJ-QWHCGFSZSA-N 1 3 291.399 -0.521 20 30 CBEDHO C=CCN1CC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236032 373778993 /nfs/dbraw/zinc/77/89/93/373778993.db2.gz RNKQGXFQCRDYLC-STQMWFEESA-N 1 3 294.399 -0.440 20 30 CBEDHO NC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000264100187 220263342 /nfs/dbraw/zinc/26/33/42/220263342.db2.gz NWSKUIINTZERLC-UHFFFAOYSA-N 1 3 262.361 -0.133 20 30 CBEDHO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000491393906 420311925 /nfs/dbraw/zinc/31/19/25/420311925.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 1 3 296.415 -0.039 20 30 CBEDHO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000491393906 420311929 /nfs/dbraw/zinc/31/19/29/420311929.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 1 3 296.415 -0.039 20 30 CBEDHO C#CCN(C)CCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000491630470 420313199 /nfs/dbraw/zinc/31/31/99/420313199.db2.gz PFRQZFMICDRRGM-OAHLLOKOSA-N 1 3 282.432 -0.861 20 30 CBEDHO [NH2+]=C(NCC(=O)NCCN1CCCCCC1)N1CCC1 ZINC000263074549 279551287 /nfs/dbraw/zinc/55/12/87/279551287.db2.gz HBYSWJVBPDTXCP-UHFFFAOYSA-N 1 3 281.404 -0.001 20 30 CBEDHO C#CCN1CCC(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000491125261 332153160 /nfs/dbraw/zinc/15/31/60/332153160.db2.gz CJJVJEPXRXZSSH-KBPBESRZSA-N 1 3 279.384 -0.535 20 30 CBEDHO C#CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000491464841 332216973 /nfs/dbraw/zinc/21/69/73/332216973.db2.gz UIBIHQDBJCQNPZ-UHFFFAOYSA-N 1 3 282.388 -0.970 20 30 CBEDHO C#CCNC(=O)CC[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000491784463 332347533 /nfs/dbraw/zinc/34/75/33/332347533.db2.gz POCZOCPOXNFILX-ZDUSSCGKSA-N 1 3 294.399 -0.697 20 30 CBEDHO C#CCNC(=O)CCNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491784463 332347534 /nfs/dbraw/zinc/34/75/34/332347534.db2.gz POCZOCPOXNFILX-ZDUSSCGKSA-N 1 3 294.399 -0.697 20 30 CBEDHO C#CCNC(=O)CCNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491784463 332347536 /nfs/dbraw/zinc/34/75/36/332347536.db2.gz POCZOCPOXNFILX-ZDUSSCGKSA-N 1 3 294.399 -0.697 20 30 CBEDHO C#CCO[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000823123604 582659141 /nfs/dbraw/zinc/65/91/41/582659141.db2.gz CGMMOGYUZIVRJD-CYBMUJFWSA-N 1 3 269.389 -0.024 20 30 CBEDHO COCCN(C)CCCNC(=[NH2+])N1CCOCC1 ZINC000104173040 582113104 /nfs/dbraw/zinc/11/31/04/582113104.db2.gz NEKOBHVYUVELML-UHFFFAOYSA-N 1 3 258.366 -0.398 20 30 CBEDHO N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485625 583124966 /nfs/dbraw/zinc/12/49/66/583124966.db2.gz ZNORFALJRPQDDH-FRRDWIJNSA-N 1 3 258.325 -0.216 20 30 CBEDHO C#CCN(C)CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000841909785 583176628 /nfs/dbraw/zinc/17/66/28/583176628.db2.gz HUOXVUSHCGTTBL-OLZOCXBDSA-N 1 3 282.388 -0.301 20 30 CBEDHO N#C[C@H]1CNC[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000843460234 583221573 /nfs/dbraw/zinc/22/15/73/583221573.db2.gz ZNORFALJRPQDDH-XQQFMLRXSA-N 1 3 258.325 -0.216 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844037588 583245645 /nfs/dbraw/zinc/24/56/45/583245645.db2.gz KEQKDHBPLABXLV-GFCCVEGCSA-N 1 3 282.388 -0.317 20 30 CBEDHO C[C@H]1C[NH+]=C(NCCCCN2CCN(C)CC2)N1 ZINC000848989521 583464717 /nfs/dbraw/zinc/46/47/17/583464717.db2.gz WJGZXVLMLVCQPE-LBPRGKRZSA-N 1 3 253.394 -0.049 20 30 CBEDHO C[C@@H]1C[NH+]=C(NCCCN2CCC[C@H]2C(=O)N(C)C)N1 ZINC000849001319 583466429 /nfs/dbraw/zinc/46/64/29/583466429.db2.gz PJRMCLWMFKOHEE-NEPJUHHUSA-N 1 3 281.404 -0.134 20 30 CBEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC1=[NH+]CCN1C ZINC000849001312 583466474 /nfs/dbraw/zinc/46/64/74/583466474.db2.gz PELNSEUUBJGMFW-GFCCVEGCSA-N 1 3 281.404 -0.180 20 30 CBEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC000852889448 583569324 /nfs/dbraw/zinc/56/93/24/583569324.db2.gz DEKQQTMISZXKBE-GFCCVEGCSA-N 1 3 251.330 -0.906 20 30 CBEDHO C#CCN(C)CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000861634315 583773724 /nfs/dbraw/zinc/77/37/24/583773724.db2.gz FBASNYOVEYWVPE-UHFFFAOYSA-N 1 3 282.388 -0.251 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861768553 583785404 /nfs/dbraw/zinc/78/54/04/583785404.db2.gz KGWWMIGIOPBLMS-LLVKDONJSA-N 1 3 282.388 -0.441 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847199 584149156 /nfs/dbraw/zinc/14/91/56/584149156.db2.gz IQVRUCZMQLJKPA-NEPJUHHUSA-N 1 3 286.807 -0.038 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847212 584149170 /nfs/dbraw/zinc/14/91/70/584149170.db2.gz IQVRUCZMQLJKPA-VXGBXAGGSA-N 1 3 286.807 -0.038 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847211 584149194 /nfs/dbraw/zinc/14/91/94/584149194.db2.gz IQVRUCZMQLJKPA-RYUDHWBXSA-N 1 3 286.807 -0.038 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869032 584151377 /nfs/dbraw/zinc/15/13/77/584151377.db2.gz BCUJCORVVPKJIS-ZJUUUORDSA-N 1 3 261.753 -0.049 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884642619 584392522 /nfs/dbraw/zinc/39/25/22/584392522.db2.gz MWWKEGQKNAUVHD-CYBMUJFWSA-N 1 3 294.399 -0.297 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000899731784 584776505 /nfs/dbraw/zinc/77/65/05/584776505.db2.gz KIWMPLKGSZKUEY-UHFFFAOYSA-N 1 3 267.373 -0.628 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899731784 584776506 /nfs/dbraw/zinc/77/65/06/584776506.db2.gz KIWMPLKGSZKUEY-UHFFFAOYSA-N 1 3 267.373 -0.628 20 30 CBEDHO C=CCN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591448 613829901 /nfs/dbraw/zinc/82/99/01/613829901.db2.gz GZDBTLHTOQXGPD-OLZOCXBDSA-N 1 3 279.384 -0.323 20 30 CBEDHO C[C@@H](CNC(=[NH2+])NC1CC1)CN1CCN(C)CC1 ZINC000303376512 656138778 /nfs/dbraw/zinc/13/87/78/656138778.db2.gz OMWCWYOIVSIZRI-NSHDSACASA-N 1 3 253.394 -0.063 20 30 CBEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000303880952 656139636 /nfs/dbraw/zinc/13/96/36/656139636.db2.gz KKSIKSBGFZPLCN-OLZOCXBDSA-N 1 3 285.436 -0.191 20 30 CBEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000303880955 656139713 /nfs/dbraw/zinc/13/97/13/656139713.db2.gz KKSIKSBGFZPLCN-STQMWFEESA-N 1 3 285.436 -0.191 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000305076246 656141624 /nfs/dbraw/zinc/14/16/24/656141624.db2.gz LCMFFAURFOCUEU-WOPDTQHZSA-N 1 3 297.403 -0.592 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911236281 656993510 /nfs/dbraw/zinc/99/35/10/656993510.db2.gz OTZRKGTTXSOSRI-LBPRGKRZSA-N 1 3 294.399 -0.297 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019814253 657946959 /nfs/dbraw/zinc/94/69/59/657946959.db2.gz VYCGQTSQNPFLDE-ZDUSSCGKSA-N 1 3 292.383 -0.993 20 30 CBEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020405981 658046856 /nfs/dbraw/zinc/04/68/56/658046856.db2.gz HJHKTZIGBQXSQX-JGNFHWBKSA-N 1 3 289.379 -0.280 20 30 CBEDHO C=CCNC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000723672030 790801774 /nfs/dbraw/zinc/80/17/74/790801774.db2.gz IVPJESWRPDWWNL-SNVBAGLBSA-N 1 3 254.334 -0.331 20 30 CBEDHO C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900578 790802648 /nfs/dbraw/zinc/80/26/48/790802648.db2.gz KHFQAUVEEJNWIU-GHMZBOCLSA-N 1 3 268.361 -0.085 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001023128179 798884980 /nfs/dbraw/zinc/88/49/80/798884980.db2.gz SOLKOPBHYDMLFD-YUELXQCFSA-N 1 3 293.411 -0.051 20 30 CBEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049213320 802005850 /nfs/dbraw/zinc/00/58/50/802005850.db2.gz MLUOEEJBXVBIRB-MCIONIFRSA-N 1 3 261.369 -0.039 20 30 CBEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049213320 802005852 /nfs/dbraw/zinc/00/58/52/802005852.db2.gz MLUOEEJBXVBIRB-MCIONIFRSA-N 1 3 261.369 -0.039 20 30 CBEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049213329 802006128 /nfs/dbraw/zinc/00/61/28/802006128.db2.gz MLUOEEJBXVBIRB-MELADBBJSA-N 1 3 261.369 -0.039 20 30 CBEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049213329 802006135 /nfs/dbraw/zinc/00/61/35/802006135.db2.gz MLUOEEJBXVBIRB-MELADBBJSA-N 1 3 261.369 -0.039 20 30 CBEDHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC#N ZINC001148570396 814950579 /nfs/dbraw/zinc/95/05/79/814950579.db2.gz CQQQNHARBJKYPH-UHFFFAOYSA-N 1 3 283.376 -0.936 20 30 CBEDHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC#N ZINC001148570396 814950586 /nfs/dbraw/zinc/95/05/86/814950586.db2.gz CQQQNHARBJKYPH-UHFFFAOYSA-N 1 3 283.376 -0.936 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148655613 814956013 /nfs/dbraw/zinc/95/60/13/814956013.db2.gz PNWAHFMHCJZVGH-GFCCVEGCSA-N 1 3 282.388 -0.828 20 30 CBEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)CCC)C1 ZINC001325154784 804249580 /nfs/dbraw/zinc/24/95/80/804249580.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 1 3 281.400 -0.096 20 30 CBEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)CCC)C1 ZINC001325154784 804249585 /nfs/dbraw/zinc/24/95/85/804249585.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 1 3 281.400 -0.096 20 30 CBEDHO N#CCCN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160482297 815627829 /nfs/dbraw/zinc/62/78/29/815627829.db2.gz FPILKBLVCZQCEO-NSHDSACASA-N 1 3 253.350 -0.890 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H](C)O)CC1 ZINC001152324354 815115397 /nfs/dbraw/zinc/11/53/97/815115397.db2.gz RRHJAOANONLTFE-LBPRGKRZSA-N 1 3 267.373 -0.582 20 30 CBEDHO COCC#CC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427199 815121024 /nfs/dbraw/zinc/12/10/24/815121024.db2.gz UOHXXBSMTVGPFW-UHFFFAOYSA-N 1 3 255.362 -0.318 20 30 CBEDHO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446332 815122734 /nfs/dbraw/zinc/12/27/34/815122734.db2.gz XRNVQMDFXJWZRZ-LBPRGKRZSA-N 1 3 284.404 -0.277 20 30 CBEDHO C#CCCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731626 810560461 /nfs/dbraw/zinc/56/04/61/810560461.db2.gz UBPCEWANPHWWIP-ZIAGYGMSSA-N 1 3 291.395 -0.343 20 30 CBEDHO CC#CCN1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814028 810569671 /nfs/dbraw/zinc/56/96/71/810569671.db2.gz HXZAMBSQRBDJCA-KBPBESRZSA-N 1 3 279.384 -0.343 20 30 CBEDHO C#CCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974117 810981583 /nfs/dbraw/zinc/98/15/83/810981583.db2.gz NNMGBFZOCUXLIP-KBPBESRZSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026723 /nfs/dbraw/zinc/02/67/23/811026723.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 1 3 281.400 -0.099 20 30 CBEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026727 /nfs/dbraw/zinc/02/67/27/811026727.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 1 3 281.400 -0.099 20 30 CBEDHO N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157983259 815494430 /nfs/dbraw/zinc/49/44/30/815494430.db2.gz ZWASHNAMNVPJMO-NEPJUHHUSA-N 1 3 277.372 -0.815 20 30 CBEDHO N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157983259 815494433 /nfs/dbraw/zinc/49/44/33/815494433.db2.gz ZWASHNAMNVPJMO-NEPJUHHUSA-N 1 3 277.372 -0.815 20 30 CBEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118200530 812494503 /nfs/dbraw/zinc/49/45/03/812494503.db2.gz FDONNWSQLNEUAJ-CHWSQXEVSA-N 1 3 279.388 -0.486 20 30 CBEDHO C=CC[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC[NH2+]1 ZINC001122062970 813110726 /nfs/dbraw/zinc/11/07/26/813110726.db2.gz HBAMBJBAYJYDLY-RISCZKNCSA-N 1 3 265.357 -0.068 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915281 815604597 /nfs/dbraw/zinc/60/45/97/815604597.db2.gz IUMHXDMRDXZNMG-AWEZNQCLSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001124877599 813495047 /nfs/dbraw/zinc/49/50/47/813495047.db2.gz HCDNBGPLXXXLQL-OLZOCXBDSA-N 1 3 294.399 -0.427 20 30 CBEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001127067117 813710378 /nfs/dbraw/zinc/71/03/78/813710378.db2.gz WVEIZUCOZQBXQG-LBPRGKRZSA-N 1 3 295.387 -0.795 20 30 CBEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001127067117 813710382 /nfs/dbraw/zinc/71/03/82/813710382.db2.gz WVEIZUCOZQBXQG-LBPRGKRZSA-N 1 3 295.387 -0.795 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660338 813742523 /nfs/dbraw/zinc/74/25/23/813742523.db2.gz WOWRVNDLXTYVFJ-JHJVBQTASA-N 1 3 296.415 -0.277 20 30 CBEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660338 813742530 /nfs/dbraw/zinc/74/25/30/813742530.db2.gz WOWRVNDLXTYVFJ-JHJVBQTASA-N 1 3 296.415 -0.277 20 30 CBEDHO C#CCNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364142 813840392 /nfs/dbraw/zinc/84/03/92/813840392.db2.gz PXISWSXOQGHVOQ-CQSZACIVSA-N 1 3 279.384 -0.031 20 30 CBEDHO C#CCNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364142 813840405 /nfs/dbraw/zinc/84/04/05/813840405.db2.gz PXISWSXOQGHVOQ-CQSZACIVSA-N 1 3 279.384 -0.031 20 30 CBEDHO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CC)N(C)C)C1=O ZINC001130203860 813918629 /nfs/dbraw/zinc/91/86/29/813918629.db2.gz ZVGNXUMUENZPNI-QWHCGFSZSA-N 1 3 296.415 -0.181 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130422168 813939407 /nfs/dbraw/zinc/93/94/07/813939407.db2.gz ZATXLVVWBSZKCG-LBPRGKRZSA-N 1 3 296.415 -0.440 20 30 CBEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130422168 813939412 /nfs/dbraw/zinc/93/94/12/813939412.db2.gz ZATXLVVWBSZKCG-LBPRGKRZSA-N 1 3 296.415 -0.440 20 30 CBEDHO C=CCN1CC[C@@H](NCCNC(=O)CCC[NH+](C)C)C1=O ZINC001133042869 814211595 /nfs/dbraw/zinc/21/15/95/814211595.db2.gz NFWFBIYXSUZSSI-CYBMUJFWSA-N 1 3 296.415 -0.179 20 30 CBEDHO COCC#CCNCCNC(=O)CCC[NH+](C)C ZINC001133040397 814212985 /nfs/dbraw/zinc/21/29/85/814212985.db2.gz PCXMMSMBILBFIH-UHFFFAOYSA-N 1 3 255.362 -0.316 20 30 CBEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286130 814235974 /nfs/dbraw/zinc/23/59/74/814235974.db2.gz YSRQJSCZIXUFAY-LBPRGKRZSA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415853 814252386 /nfs/dbraw/zinc/25/23/86/814252386.db2.gz RBVRRPWSVDVCIA-CYBMUJFWSA-N 1 3 284.404 -0.419 20 30 CBEDHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NCC#N)CC1 ZINC001134776395 814412993 /nfs/dbraw/zinc/41/29/93/814412993.db2.gz QSHIOJRPSMKHRO-UHFFFAOYSA-N 1 3 295.387 -0.936 20 30 CBEDHO COCC#CCNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959623 814540879 /nfs/dbraw/zinc/54/08/79/814540879.db2.gz RKZCDCFPLUZADU-UHFFFAOYSA-N 1 3 297.399 -0.547 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)CN(C)C(N)=[NH2+] ZINC001144141158 814773508 /nfs/dbraw/zinc/77/35/08/814773508.db2.gz BEHOMWHMSCFCLK-JTQLQIEISA-N 1 3 253.350 -0.422 20 30 CBEDHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001159915753 815604698 /nfs/dbraw/zinc/60/46/98/815604698.db2.gz NDJFPDLHBFGXQP-CYBMUJFWSA-N 1 3 295.387 -0.938 20 30 CBEDHO C=CCN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160431946 815621373 /nfs/dbraw/zinc/62/13/73/815621373.db2.gz JEBLHUXYOXRAON-LBPRGKRZSA-N 1 3 264.373 -0.874 20 30 CBEDHO N#C[C@@H]1CCCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160636504 815647970 /nfs/dbraw/zinc/64/79/70/815647970.db2.gz HVOTXFHAHRXRGI-UWVGGRQHSA-N 1 3 256.375 -0.090 20 30 CBEDHO N#C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160640679 815649299 /nfs/dbraw/zinc/64/92/99/815649299.db2.gz LFWXMUUZNUMRMU-YRGRVCCFSA-N 1 3 262.357 -0.052 20 30 CBEDHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN[C@H](C#N)C1 ZINC001160650350 815651508 /nfs/dbraw/zinc/65/15/08/815651508.db2.gz AEWNQWPTLPPWMT-NEPJUHHUSA-N 1 3 267.377 -0.630 20 30 CBEDHO N#CCCN(CCC#N)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160749944 815667091 /nfs/dbraw/zinc/66/70/91/815667091.db2.gz BHGQUSAEIOHMGH-JTQLQIEISA-N 1 3 269.374 -0.338 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883225 815683612 /nfs/dbraw/zinc/68/36/12/815683612.db2.gz IAYFZLQSKFZMKS-GFCCVEGCSA-N 1 3 282.388 -0.828 20 30 CBEDHO N#C[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCO1 ZINC001160879634 815684485 /nfs/dbraw/zinc/68/44/85/815684485.db2.gz RTGVJTJIOKKKTK-GHMZBOCLSA-N 1 3 252.318 -0.936 20 30 CBEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889110 815685738 /nfs/dbraw/zinc/68/57/38/815685738.db2.gz CYFFYLVAAQWQDM-CHWSQXEVSA-N 1 3 296.415 -0.440 20 30 CBEDHO N#C[C@@H]1COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160933721 815688633 /nfs/dbraw/zinc/68/86/33/815688633.db2.gz NQAHBWMWWJIRIQ-GHMZBOCLSA-N 1 3 252.318 -0.936 20 30 CBEDHO C#C[C@](C)(N)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161500007 815762889 /nfs/dbraw/zinc/76/28/89/815762889.db2.gz RLFIEWDKLCYFIH-GWCFXTLKSA-N 1 3 251.330 -0.732 20 30 CBEDHO C#C[C@](C)(N)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500007 815762894 /nfs/dbraw/zinc/76/28/94/815762894.db2.gz RLFIEWDKLCYFIH-GWCFXTLKSA-N 1 3 251.330 -0.732 20 30 CBEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCO)CC1 ZINC001317415114 816973979 /nfs/dbraw/zinc/97/39/79/816973979.db2.gz HEXIHPOJHJDXCX-ZDUSSCGKSA-N 1 3 281.400 -0.192 20 30 CBEDHO C=CCNC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317627050 817033688 /nfs/dbraw/zinc/03/36/88/817033688.db2.gz RLTQKADMHAHTEL-ZDUSSCGKSA-N 1 3 296.415 -0.322 20 30 CBEDHO C=CCNC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317627050 817033696 /nfs/dbraw/zinc/03/36/96/817033696.db2.gz RLTQKADMHAHTEL-ZDUSSCGKSA-N 1 3 296.415 -0.322 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001317655091 817040694 /nfs/dbraw/zinc/04/06/94/817040694.db2.gz PYHFFJQOLDLDSO-QWHCGFSZSA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](CC)N(C)C ZINC001317655092 817041183 /nfs/dbraw/zinc/04/11/83/817041183.db2.gz PYHFFJQOLDLDSO-STQMWFEESA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001320217522 817295794 /nfs/dbraw/zinc/29/57/94/817295794.db2.gz OTBQOPJHLYEDMO-OLZOCXBDSA-N 1 3 267.373 -0.441 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1CCC ZINC001320227672 817298960 /nfs/dbraw/zinc/29/89/60/817298960.db2.gz SQTUBUDYXKQYQW-UONOGXRCSA-N 1 3 281.400 -0.049 20 30 CBEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001320235979 817300930 /nfs/dbraw/zinc/30/09/30/817300930.db2.gz TZCBRERBQUTGMV-CYBMUJFWSA-N 1 3 267.373 -0.439 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668022 820014769 /nfs/dbraw/zinc/01/47/69/820014769.db2.gz OKHOMNQKQFAWCB-ZDUSSCGKSA-N 1 3 296.415 -0.274 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166866767 820042493 /nfs/dbraw/zinc/04/24/93/820042493.db2.gz UDFKRELYEPNXHI-LBPRGKRZSA-N 1 3 284.404 -0.275 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171757697 820370613 /nfs/dbraw/zinc/37/06/13/820370613.db2.gz NKJRACNOIGBGBS-UHFFFAOYSA-N 1 3 284.404 -0.274 20 30 CBEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@H](C)O)CC1 ZINC001176926837 820481895 /nfs/dbraw/zinc/48/18/95/820481895.db2.gz XFTYTHQFXXCOQO-ZDUSSCGKSA-N 1 3 281.400 -0.192 20 30 CBEDHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176980603 820485203 /nfs/dbraw/zinc/48/52/03/820485203.db2.gz LFWXIFWBRNJSIA-UHFFFAOYSA-N 1 3 283.376 -0.938 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581844 821007767 /nfs/dbraw/zinc/00/77/67/821007767.db2.gz MLTXOTVLOIJTJP-CHWSQXEVSA-N 1 3 294.399 -0.734 20 30 CBEDHO COCC#CCN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408377 821128879 /nfs/dbraw/zinc/12/88/79/821128879.db2.gz QNTJWLABTRSLTF-CYBMUJFWSA-N 1 3 267.373 -0.222 20 30 CBEDHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC#N ZINC001283713487 828535181 /nfs/dbraw/zinc/53/51/81/828535181.db2.gz ILFPQAWAYQVMFA-GFCCVEGCSA-N 1 3 295.387 -0.842 20 30 CBEDHO C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001283825118 828553509 /nfs/dbraw/zinc/55/35/09/828553509.db2.gz NPYJBJRMHOZFFW-LLVKDONJSA-N 1 3 266.345 -0.097 20 30 CBEDHO C#CCNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445367 824471931 /nfs/dbraw/zinc/47/19/31/824471931.db2.gz MGAWBCZYTRYWCJ-ZDUSSCGKSA-N 1 3 294.399 -0.732 20 30 CBEDHO N#C[C@@H]1CNC[C@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832283 824562378 /nfs/dbraw/zinc/56/23/78/824562378.db2.gz NNPWZUWUICBYJV-LBELIVKGSA-N 1 3 251.330 -0.118 20 30 CBEDHO N#Cc1c(NC(=O)C[C@H](O)C[NH3+])sc2c1CCNC2 ZINC001218554892 824590459 /nfs/dbraw/zinc/59/04/59/824590459.db2.gz XBUWTIVYTLXETM-ZETCQYMHSA-N 1 3 280.353 -0.086 20 30 CBEDHO N#Cc1ccnnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218702629 824624940 /nfs/dbraw/zinc/62/49/40/824624940.db2.gz VDAOIMTUVOKXRA-SECBINFHSA-N 1 3 258.285 -0.904 20 30 CBEDHO N#CN=C(NC(=O)[C@H](N)CCC[NH3+])c1ccncc1 ZINC001219972354 824926158 /nfs/dbraw/zinc/92/61/58/824926158.db2.gz OAICJQVCLSCQAF-SNVBAGLBSA-N 1 3 260.301 -0.508 20 30 CBEDHO C=C(C)C(=O)OCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220124961 824961668 /nfs/dbraw/zinc/96/16/68/824961668.db2.gz RPTDVMRFABRAAM-JTQLQIEISA-N 1 3 267.329 -0.969 20 30 CBEDHO C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220571632 825065623 /nfs/dbraw/zinc/06/56/23/825065623.db2.gz WHBRNEGZJNSOHK-ZETOZRRWSA-N 1 3 293.367 -0.581 20 30 CBEDHO C=CCN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220868755 825116933 /nfs/dbraw/zinc/11/69/33/825116933.db2.gz RXCLEDMTXLZGDQ-IPYPFGDCSA-N 1 3 278.400 -0.296 20 30 CBEDHO N#Cc1cnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)s1 ZINC001220871917 825117250 /nfs/dbraw/zinc/11/72/50/825117250.db2.gz CPMXNGNGTIHWCA-NOZJJQNGSA-N 1 3 291.380 -0.170 20 30 CBEDHO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028099 825626075 /nfs/dbraw/zinc/62/60/75/825626075.db2.gz ZYAJICSCFWORIS-QWHCGFSZSA-N 1 3 258.362 -0.274 20 30 CBEDHO C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028099 825626076 /nfs/dbraw/zinc/62/60/76/825626076.db2.gz ZYAJICSCFWORIS-QWHCGFSZSA-N 1 3 258.362 -0.274 20 30 CBEDHO C=CCOC[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028099 825626078 /nfs/dbraw/zinc/62/60/78/825626078.db2.gz ZYAJICSCFWORIS-QWHCGFSZSA-N 1 3 258.362 -0.274 20 30 CBEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028091 825626562 /nfs/dbraw/zinc/62/65/62/825626562.db2.gz ZUZCCXFNIWBUMN-QWHCGFSZSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246028091 825626563 /nfs/dbraw/zinc/62/65/63/825626563.db2.gz ZUZCCXFNIWBUMN-QWHCGFSZSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@@H](O)CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028091 825626566 /nfs/dbraw/zinc/62/65/66/825626566.db2.gz ZUZCCXFNIWBUMN-QWHCGFSZSA-N 1 3 256.346 -0.827 20 30 CBEDHO CC[C@H](C)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)N[O-] ZINC001246515648 825678456 /nfs/dbraw/zinc/67/84/56/825678456.db2.gz CYAVRWLCVCCNPP-AXFHLTTASA-N 1 3 270.377 -0.410 20 30 CBEDHO C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC001262034763 826626852 /nfs/dbraw/zinc/62/68/52/826626852.db2.gz MXPWEGBMVQBMGS-MRFPXMQZSA-N 1 3 262.357 -0.054 20 30 CBEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265894991 826935393 /nfs/dbraw/zinc/93/53/93/826935393.db2.gz BJICONSLWOYHML-KBPBESRZSA-N 1 3 279.384 -0.079 20 30 CBEDHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944630 827092461 /nfs/dbraw/zinc/09/24/61/827092461.db2.gz NHZOABUSFBRZJE-NSHDSACASA-N 1 3 295.387 -0.795 20 30 CBEDHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)N(C)C ZINC001268330500 827305388 /nfs/dbraw/zinc/30/53/88/827305388.db2.gz KQTDFGJEPSNYIX-STQMWFEESA-N 1 3 285.388 -0.957 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CC)CC1 ZINC001268334614 827308165 /nfs/dbraw/zinc/30/81/65/827308165.db2.gz KRMAHWAJSUDQOK-CYBMUJFWSA-N 1 3 267.373 -0.582 20 30 CBEDHO C=CC[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001272434815 827796947 /nfs/dbraw/zinc/79/69/47/827796947.db2.gz KVBFNUAVXYJAEZ-LLVKDONJSA-N 1 3 255.362 -0.277 20 30 CBEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001273268930 827882464 /nfs/dbraw/zinc/88/24/64/827882464.db2.gz VKUBOWNGOYWTSY-CQSZACIVSA-N 1 3 279.384 -0.079 20 30 CBEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274907419 828040825 /nfs/dbraw/zinc/04/08/25/828040825.db2.gz YKJHHEQFGYCAKQ-GFCCVEGCSA-N 1 3 294.399 -0.828 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001275458716 828088845 /nfs/dbraw/zinc/08/88/45/828088845.db2.gz FTZFLPZHTAEVTL-LBPRGKRZSA-N 1 3 294.399 -0.828 20 30 CBEDHO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001332520290 887336560 /nfs/dbraw/zinc/33/65/60/887336560.db2.gz AAADTMYFYDNPTJ-CQSZACIVSA-N 1 3 281.400 -0.097 20 30 CBEDHO CN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@@H]1CC[NH2+]C1 ZINC001333632261 887725621 /nfs/dbraw/zinc/72/56/21/887725621.db2.gz XDLHPBPNPYGHBC-CBKZZEEASA-N 1 3 262.357 -0.054 20 30 CBEDHO CCN1CCN(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326062679 884895258 /nfs/dbraw/zinc/89/52/58/884895258.db2.gz LMYNFJQAJHBJEA-CYBMUJFWSA-N 1 3 281.404 -0.239 20 30 CBEDHO C#CC[NH2+]CCN(CCO)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001326148499 884923080 /nfs/dbraw/zinc/92/30/80/884923080.db2.gz MZFVGVDZRWGTOO-OKILXGFUSA-N 1 3 281.400 -0.097 20 30 CBEDHO C[NH2+]CCOCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001331969010 887068899 /nfs/dbraw/zinc/06/88/99/887068899.db2.gz MKDLXVNRYSOCDS-LXVYMNJGSA-N 1 3 280.372 -0.522 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001338488326 889168203 /nfs/dbraw/zinc/16/82/03/889168203.db2.gz KTXVQOFDIYOXIZ-ZDUSSCGKSA-N 1 3 270.373 -0.567 20 30 CBEDHO C#CCC[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC001346251011 890248879 /nfs/dbraw/zinc/24/88/79/890248879.db2.gz IUPGLZFTSSJBPI-OAHLLOKOSA-N 1 3 296.411 -0.034 20 30 CBEDHO C[NH+](C)C[C@](C)(O)CNC[C@H](O)CC1(C#N)CC1 ZINC001353325461 891405505 /nfs/dbraw/zinc/40/55/05/891405505.db2.gz AYFPXBNPOMXCOT-VXGBXAGGSA-N 1 3 255.362 -0.057 20 30 CBEDHO C[C@]1(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC[NH2+]C1 ZINC001353067184 891356407 /nfs/dbraw/zinc/35/64/07/891356407.db2.gz DRAXCXVUPWNTQW-QCKFIBFJSA-N 1 3 262.357 -0.006 20 30 CBEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001502057935 921328859 /nfs/dbraw/zinc/32/88/59/921328859.db2.gz IIAPHFOZHVXLAL-CYBMUJFWSA-N 1 3 279.384 -0.079 20 30 CBEDHO C#CCNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087576 921335094 /nfs/dbraw/zinc/33/50/94/921335094.db2.gz PSSPMQOIVMNNEU-ZDUSSCGKSA-N 1 3 277.368 -0.468 20 30 CBEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001502077179 921335388 /nfs/dbraw/zinc/33/53/88/921335388.db2.gz QHMMGJOFHLXQLU-STQMWFEESA-N 1 3 267.373 -0.223 20 30 CBEDHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NCC#N ZINC001505683270 921466268 /nfs/dbraw/zinc/46/62/68/921466268.db2.gz ZAGIADQMGDSPSI-WDEREUQCSA-N 1 3 283.376 -0.939 20 30 CBEDHO C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505683267 921467675 /nfs/dbraw/zinc/46/76/75/921467675.db2.gz ZAGIADQMGDSPSI-GHMZBOCLSA-N 1 3 283.376 -0.939 20 30 CBEDHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC#N ZINC001507063602 921666197 /nfs/dbraw/zinc/66/61/97/921666197.db2.gz RUDJUMJSGOHKIL-VXGBXAGGSA-N 1 3 295.387 -0.843 20 30 CBEDHO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001482267132 917109481 /nfs/dbraw/zinc/10/94/81/917109481.db2.gz 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C#CCNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054294 814346720 /nfs/dbraw/zinc/34/67/20/814346720.db2.gz DSLLOPGUTWSSDD-ZDUSSCGKSA-N 1 3 267.373 -0.174 20 30 CBEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915283 815605099 /nfs/dbraw/zinc/60/50/99/815605099.db2.gz IUMHXDMRDXZNMG-CQSZACIVSA-N 1 3 296.415 -0.275 20 30 CBEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997376 815606436 /nfs/dbraw/zinc/60/64/36/815606436.db2.gz OESJDSWKZILQSN-UHFFFAOYSA-N 1 3 294.399 -0.684 20 30 CBEDHO CN(CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001159997099 815606765 /nfs/dbraw/zinc/60/67/65/815606765.db2.gz FWPSFNUYRUPKNP-UHFFFAOYSA-N 1 3 295.387 -0.794 20 30 CBEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513458 814481641 /nfs/dbraw/zinc/48/16/41/814481641.db2.gz PBAXLKKJKHLXMN-GFCCVEGCSA-N 1 3 284.404 -0.275 20 30 CBEDHO C=CCN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160431944 815620389 /nfs/dbraw/zinc/62/03/89/815620389.db2.gz JEBLHUXYOXRAON-GFCCVEGCSA-N 1 3 264.373 -0.874 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C=CCN1CCC[C@H]1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220868376 825114838 /nfs/dbraw/zinc/11/48/38/825114838.db2.gz HOZAMVXKPBIPLH-STQMWFEESA-N 1 3 294.399 -0.917 20 30 CBEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246028090 825625833 /nfs/dbraw/zinc/62/58/33/825625833.db2.gz ZUZCCXFNIWBUMN-OLZOCXBDSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246028090 825625838 /nfs/dbraw/zinc/62/58/38/825625838.db2.gz ZUZCCXFNIWBUMN-OLZOCXBDSA-N 1 3 256.346 -0.827 20 30 CBEDHO C#CCOC[C@H](O)CN1CCCC[C@](O)(C[NH3+])C1 ZINC001246028090 825625844 /nfs/dbraw/zinc/62/58/44/825625844.db2.gz ZUZCCXFNIWBUMN-OLZOCXBDSA-N 1 3 256.346 -0.827 20 30 CBEDHO N#CCCN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246790919 825712030 /nfs/dbraw/zinc/71/20/30/825712030.db2.gz OSFQLPFDWSOGBZ-CYBMUJFWSA-N 1 3 263.389 -0.388 20 30 CBEDHO C=CCOC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001252488780 825872198 /nfs/dbraw/zinc/87/21/98/825872198.db2.gz SFEWDUXIKPVMBF-CQSZACIVSA-N 1 3 271.405 -0.223 20 30 CBEDHO C[NH2+][C@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC001262034760 826626499 /nfs/dbraw/zinc/62/64/99/826626499.db2.gz MXPWEGBMVQBMGS-ATJQQHLPSA-N 1 3 262.357 -0.054 20 30 CBEDHO C#CCNCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001263097512 826736731 /nfs/dbraw/zinc/73/67/31/826736731.db2.gz ZAZYGZOCJZPONZ-UHFFFAOYSA-N 1 3 280.416 -0.401 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001265784075 826918623 /nfs/dbraw/zinc/91/86/23/826918623.db2.gz UVNYTBAZRGALSV-LBPRGKRZSA-N 1 3 294.399 -0.686 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266515366 827015161 /nfs/dbraw/zinc/01/51/61/827015161.db2.gz WOMKPGYNNJTFBC-STQMWFEESA-N 1 3 292.383 -0.980 20 30 CBEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266951196 827095761 /nfs/dbraw/zinc/09/57/61/827095761.db2.gz RTGGHOWXGHJDTM-JSGCOSHPSA-N 1 3 296.415 -0.584 20 30 CBEDHO COCC#CC[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001268626221 827383359 /nfs/dbraw/zinc/38/33/59/827383359.db2.gz ZJXXECOJDBVJCX-NSCUHMNNSA-N 1 3 279.384 -0.006 20 30 CBEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271211194 827677393 /nfs/dbraw/zinc/67/73/93/827677393.db2.gz WGZFHHNCEGAUIW-DZGCQCFKSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271211194 827677395 /nfs/dbraw/zinc/67/73/95/827677395.db2.gz WGZFHHNCEGAUIW-DZGCQCFKSA-N 1 3 281.400 -0.097 20 30 CBEDHO C#CCNCCN(CCO)C(=O)CC[NH+]1CCCCC1 ZINC001272314943 827779348 /nfs/dbraw/zinc/77/93/48/827779348.db2.gz FAACCOLDMXPPIR-UHFFFAOYSA-N 1 3 281.400 -0.094 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001273929446 827942529 /nfs/dbraw/zinc/94/25/29/827942529.db2.gz KMBZTXUJGTWPLO-GOEBONIOSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001273929446 827942531 /nfs/dbraw/zinc/94/25/31/827942531.db2.gz KMBZTXUJGTWPLO-GOEBONIOSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274942281 828043985 /nfs/dbraw/zinc/04/39/85/828043985.db2.gz WDHSEHMFRWXFAO-CQSZACIVSA-N 1 3 293.411 -0.096 20 30 CBEDHO C#CCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274942281 828043996 /nfs/dbraw/zinc/04/39/96/828043996.db2.gz WDHSEHMFRWXFAO-CQSZACIVSA-N 1 3 293.411 -0.096 20 30 CBEDHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202503 885965960 /nfs/dbraw/zinc/96/59/60/885965960.db2.gz KYRJKTFYPPETET-NWDGAFQWSA-N 1 3 297.403 -0.551 20 30 CBEDHO C[C@@H](CC[NH3+])NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001333177090 887551551 /nfs/dbraw/zinc/55/15/51/887551551.db2.gz BMMLMRCDSZIZKE-URAGZPLESA-N 1 3 250.346 -0.021 20 30 CBEDHO C=C(C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001329458247 886076248 /nfs/dbraw/zinc/07/62/48/886076248.db2.gz YAQISJKRJHTZMR-UHFFFAOYSA-N 1 3 298.431 -0.027 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001331053151 886660655 /nfs/dbraw/zinc/66/06/55/886660655.db2.gz MJEQKZZDHMSTAA-VIFPVBQESA-N 1 3 261.753 -0.232 20 30 CBEDHO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)N(C)C ZINC001331738287 886945162 /nfs/dbraw/zinc/94/51/62/886945162.db2.gz FTAAIRQABUUCBA-VXGBXAGGSA-N 1 3 257.378 -0.031 20 30 CBEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CCOC)CC1 ZINC001331843751 887008146 /nfs/dbraw/zinc/00/81/46/887008146.db2.gz XMIDCHBODXPPTH-CQSZACIVSA-N 1 3 297.399 -0.955 20 30 CBEDHO CN(C)CC#CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001346236508 890245509 /nfs/dbraw/zinc/24/55/09/890245509.db2.gz HIGYDRHKCOPAFY-STQMWFEESA-N 1 3 256.346 -0.957 20 30 CBEDHO N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC001349808208 890893978 /nfs/dbraw/zinc/89/39/78/890893978.db2.gz MGEBANKFXMCSKQ-CBKZZEEASA-N 1 3 262.357 -0.006 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)N1CC(N2CCN(CC)CC2)C1 ZINC001350718018 891031478 /nfs/dbraw/zinc/03/14/78/891031478.db2.gz VSUXOMPPFQRSLP-UHFFFAOYSA-N 1 3 280.416 -0.048 20 30 CBEDHO C#CCN1CCC(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001456298771 914457396 /nfs/dbraw/zinc/45/73/96/914457396.db2.gz PKIKDFNXIUEUBH-AWEZNQCLSA-N 1 3 291.395 -0.079 20 30 CBEDHO C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505683269 921467171 /nfs/dbraw/zinc/46/71/71/921467171.db2.gz ZAGIADQMGDSPSI-QWRGUYRKSA-N 1 3 283.376 -0.939 20 30 CBEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001480120721 916292723 /nfs/dbraw/zinc/29/27/23/916292723.db2.gz RIHWPKPNYKVIJH-ZDUSSCGKSA-N 1 3 294.399 -0.732 20 30 CBEDHO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC001482742510 917246886 /nfs/dbraw/zinc/24/68/86/917246886.db2.gz RRGSVLGMNGDVNL-NWDGAFQWSA-N 1 3 255.362 -0.583 20 30 CBEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC001482742511 917249045 /nfs/dbraw/zinc/24/90/45/917249045.db2.gz RRGSVLGMNGDVNL-VXGBXAGGSA-N 1 3 255.362 -0.583 20 30 CBEDHO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001482763925 917262803 /nfs/dbraw/zinc/26/28/03/917262803.db2.gz GBQNMQPNZWPBJU-VXGBXAGGSA-N 1 3 257.378 -0.175 20 30 CBEDHO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483266364 917500386 /nfs/dbraw/zinc/50/03/86/917500386.db2.gz JBTUGJYLQGRCNF-STQMWFEESA-N 1 3 296.415 -0.275 20 30 CBEDHO C=CCC[NH2+][C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001486034820 918328677 /nfs/dbraw/zinc/32/86/77/918328677.db2.gz VHMGPHZXURZDTK-QWHCGFSZSA-N 1 3 269.389 -0.029 20 30 CBEDHO C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149836 920035470 /nfs/dbraw/zinc/03/54/70/920035470.db2.gz NFUWAHVCTLTRSM-QWHCGFSZSA-N 1 3 296.415 -0.488 20 30 CBEDHO C#CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496152261 920036636 /nfs/dbraw/zinc/03/66/36/920036636.db2.gz ZGAGUHVXROHKBX-LBPRGKRZSA-N 1 3 282.388 -0.876 20 30 CBEDHO C#CCNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001501459655 921021191 /nfs/dbraw/zinc/02/11/91/921021191.db2.gz XPOGJXWLHMFFDG-UONOGXRCSA-N 1 3 281.400 -0.240 20 30 CBEDHO C#CCNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001501459655 921021202 /nfs/dbraw/zinc/02/12/02/921021202.db2.gz XPOGJXWLHMFFDG-UONOGXRCSA-N 1 3 281.400 -0.240 20 30 CBEDHO C=CCN1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351553791 353476020 /nfs/dbraw/zinc/47/60/20/353476020.db2.gz BORRKDJBJOVRAA-CYBMUJFWSA-N 1 3 294.399 -0.379 20 30 CBEDHO COCCN(C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160301 354211694 /nfs/dbraw/zinc/21/16/94/354211694.db2.gz UDSMIECFFNFUEN-LLVKDONJSA-N 1 3 256.350 -0.298 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000579834185 354979774 /nfs/dbraw/zinc/97/97/74/354979774.db2.gz PSAVDWGDPYZSBX-RYUDHWBXSA-N 1 3 296.415 -0.005 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579834183 354980321 /nfs/dbraw/zinc/98/03/21/354980321.db2.gz PSAVDWGDPYZSBX-NEPJUHHUSA-N 1 3 296.415 -0.005 20 30 CBEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303985266 220324945 /nfs/dbraw/zinc/32/49/45/220324945.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 1 3 283.420 -0.294 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659704738 420453068 /nfs/dbraw/zinc/45/30/68/420453068.db2.gz SNWUYWIXRHCZAX-LLVKDONJSA-N 1 3 282.388 -0.523 20 30 CBEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659706494 420454513 /nfs/dbraw/zinc/45/45/13/420454513.db2.gz LZXOUOACRLTSEH-GFCCVEGCSA-N 1 3 296.415 -0.133 20 30 CBEDHO C#CCNC(=O)CCNCCC[NH+]1CCC(O)CC1 ZINC000491454328 332215011 /nfs/dbraw/zinc/21/50/11/332215011.db2.gz YACMRVZWCVDEGW-UHFFFAOYSA-N 1 3 267.373 -0.438 20 30 CBEDHO C#CCNC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000491786657 332349295 /nfs/dbraw/zinc/34/92/95/332349295.db2.gz UQEFTVVCZYHEBT-GFCCVEGCSA-N 1 3 253.346 -0.828 20 30 CBEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174651 582113175 /nfs/dbraw/zinc/11/31/75/582113175.db2.gz XZMVHUOHMPJFHI-AWEZNQCLSA-N 1 3 297.447 -0.093 20 30 CBEDHO C=C(C[NH+](C)C)C(=O)NCCCN1CCN(C)CC1 ZINC000763952132 582321745 /nfs/dbraw/zinc/32/17/45/582321745.db2.gz INQGYDJRMDDYLD-UHFFFAOYSA-N 1 3 268.405 -0.142 20 30 CBEDHO C#CCN1CCC(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000808223750 582442370 /nfs/dbraw/zinc/44/23/70/582442370.db2.gz OVPQYICIHWIRBT-HNNXBMFYSA-N 1 3 293.411 -0.096 20 30 CBEDHO C=C(CN(C)C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000822235323 582629215 /nfs/dbraw/zinc/62/92/15/582629215.db2.gz CNNMAXOLMGGTLJ-UHFFFAOYSA-N 1 3 268.405 -0.190 20 30 CBEDHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CNC[C@@H]2C#N)C1(C)C ZINC000834484982 583125147 /nfs/dbraw/zinc/12/51/47/583125147.db2.gz QMRBMFBRZOVRQQ-OXIWPEFWSA-N 1 3 280.372 -0.253 20 30 CBEDHO N#C[C@@H]1CNC[C@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458851 583221044 /nfs/dbraw/zinc/22/10/44/583221044.db2.gz AKEHLSFQFRZMAQ-CHWSQXEVSA-N 1 3 270.336 -0.290 20 30 CBEDHO CNC(NCC(=O)NCCN1CCCCCC1)=[NH+]C ZINC000849030783 583469947 /nfs/dbraw/zinc/46/99/47/583469947.db2.gz OWGAXQKMEXMKMK-UHFFFAOYSA-N 1 3 269.393 -0.227 20 30 CBEDHO C=C(Cl)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502871 584129764 /nfs/dbraw/zinc/12/97/64/584129764.db2.gz PZRSXSPGWLIXKY-NSHDSACASA-N 1 3 274.796 -0.132 20 30 CBEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526131 584131281 /nfs/dbraw/zinc/13/12/81/584131281.db2.gz PRHUDMCISKZPTL-LLVKDONJSA-N 1 3 274.796 -0.180 20 30 CBEDHO COCCN(C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884208104 584367293 /nfs/dbraw/zinc/36/72/93/584367293.db2.gz QAVZRXVLMQUMHI-OWYJLGKBSA-N 1 3 294.399 -0.180 20 30 CBEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911236274 656992805 /nfs/dbraw/zinc/99/28/05/656992805.db2.gz OPVJAKOMPBRBLH-DGCLKSJQSA-N 1 3 294.399 -0.523 20 30 CBEDHO CN(C)CC#CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000913522856 657490168 /nfs/dbraw/zinc/49/01/68/657490168.db2.gz BUXDQBWAXJJJHZ-UHFFFAOYSA-N 1 3 277.372 -0.261 20 30 CBEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001019168725 657868404 /nfs/dbraw/zinc/86/84/04/657868404.db2.gz SLGOZLOFYSYMEN-WJEHIRDRSA-N 1 3 289.379 -0.327 20 30 CBEDHO