smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020926155 195249198 /nfs/dbraw/zinc/24/91/98/195249198.db2.gz PZEAFZLZJQCRKZ-UHFFFAOYSA-N 2 1 458.578 2.182 50 0 biogenic JEAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(C)cc3C)c2)CC1 ZINC000033033321 521670103 /nfs/dbraw/zinc/67/01/03/521670103.db2.gz XJLPIYGBYKSXOY-UHFFFAOYSA-N 2 1 485.654 2.292 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000045945235 524313961 /nfs/dbraw/zinc/31/39/61/524313961.db2.gz XPZDVJQQRWKKNU-QFIPXVFZSA-N 2 1 464.676 2.299 50 0 JEAAMP COc1ccccc1N1CC[NH+](CCCNC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)CC1 ZINC000033069178 524554727 /nfs/dbraw/zinc/55/47/27/524554727.db2.gz BHBOMBTWXUGOIO-UHFFFAOYSA-N 2 1 468.602 2.058 50 0 JEAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945504 525511450 /nfs/dbraw/zinc/51/14/50/525511450.db2.gz HKVTWHOAXZMTKR-OYRHEFFESA-N 2 1 450.649 2.071 50 0 JEAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000045945438 525511578 /nfs/dbraw/zinc/51/15/78/525511578.db2.gz WZBOSHKFGGPVED-BGYRXZFFSA-N 2 1 464.676 2.094 50 0 JEAAMP c1cc(C[NH2+]CCCN2CCOCC2)n(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020576294 555830987 /nfs/dbraw/zinc/83/09/87/555830987.db2.gz VAYIVXJQNDZSNE-UHFFFAOYSA-N 2 1 481.670 2.463 50 0 JEAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)[N@H+](CC=C(C)C)C2)nn1 ZINC000011967083 555872231 /nfs/dbraw/zinc/87/22/31/555872231.db2.gz XDDRTAQVKGXPEC-MPJJRAAHSA-N 2 1 458.607 2.027 50 0 JEAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)[N@@H+](CC=C(C)C)C2)nn1 ZINC000011967083 555872234 /nfs/dbraw/zinc/87/22/34/555872234.db2.gz XDDRTAQVKGXPEC-MPJJRAAHSA-N 2 1 458.607 2.027 50 0 JEAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[NH+](CC=C(C)C)C2)nn1 ZINC000011967083 555872238 /nfs/dbraw/zinc/87/22/38/555872238.db2.gz XDDRTAQVKGXPEC-MPJJRAAHSA-N 2 1 458.607 2.027 50 0 JEAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[NH+](CC=C(C)C)C2)nn1 ZINC000011967083 555872243 /nfs/dbraw/zinc/87/22/43/555872243.db2.gz XDDRTAQVKGXPEC-MPJJRAAHSA-N 2 1 458.607 2.027 50 0 JEAAMP O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2)C1CCOCC1 ZINC000011970606 555873518 /nfs/dbraw/zinc/87/35/18/555873518.db2.gz QWSFPZWDQMWWII-UHFFFAOYSA-N 2 1 486.686 2.469 50 0 JEAAMP O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2)C1CCOCC1 ZINC000011970606 555873521 /nfs/dbraw/zinc/87/35/21/555873521.db2.gz QWSFPZWDQMWWII-UHFFFAOYSA-N 2 1 486.686 2.469 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000039364702 569809475 /nfs/dbraw/zinc/80/94/75/569809475.db2.gz PPTPUWMPXIDQGV-RBJSKKJNSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000039364702 569809476 /nfs/dbraw/zinc/80/94/76/569809476.db2.gz PPTPUWMPXIDQGV-RBJSKKJNSA-N 2 1 476.621 2.459 50 0 JEAAMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000036155549 526092336 /nfs/dbraw/zinc/09/23/36/526092336.db2.gz WNGAMVAVQLBYSK-LEWJYISDSA-N 2 1 476.629 2.008 50 0 JEAAMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000036155549 526092347 /nfs/dbraw/zinc/09/23/47/526092347.db2.gz WNGAMVAVQLBYSK-LEWJYISDSA-N 2 1 476.629 2.008 50 0 JEAAMP C[N@H+]1CCCN(c2nnc(C(=O)N3CCN(CC[NH+]4CCCCC4)CC3)c3ccccc32)CC1 ZINC000034839719 569666939 /nfs/dbraw/zinc/66/69/39/569666939.db2.gz OGFDFZZAAJNWTN-UHFFFAOYSA-N 2 1 465.646 2.015 50 0 JEAAMP Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000035401646 569691002 /nfs/dbraw/zinc/69/10/02/569691002.db2.gz MAXHJJDUZNDULX-OYRHEFFESA-N 2 1 450.649 2.071 50 0 JEAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000045966752 521633106 /nfs/dbraw/zinc/63/31/06/521633106.db2.gz HNIHGUMIQHSUIK-LJQANCHMSA-N 2 1 451.409 2.198 50 0 JEAAMP C[N@H+]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000033033075 523803812 /nfs/dbraw/zinc/80/38/12/523803812.db2.gz XHHYYKMCSULJEW-UHFFFAOYSA-N 2 1 492.045 2.328 50 0 JEAAMP COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1C ZINC000014882318 524039863 /nfs/dbraw/zinc/03/98/63/524039863.db2.gz BNFTXTVCPOLCLU-LJQANCHMSA-N 2 1 454.619 2.481 50 0 JEAAMP C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000045945268 524106718 /nfs/dbraw/zinc/10/67/18/524106718.db2.gz LTOXGUJVKQXPHM-MRXNPFEDSA-N 2 1 463.069 2.089 50 0 JEAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000045945268 524106724 /nfs/dbraw/zinc/10/67/24/524106724.db2.gz LTOXGUJVKQXPHM-MRXNPFEDSA-N 2 1 463.069 2.089 50 0 JEAAMP O=C(c1ccc(F)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000046140971 526687725 /nfs/dbraw/zinc/68/77/25/526687725.db2.gz VLPUVUIETDWWJW-UHFFFAOYSA-N 2 1 488.629 2.168 50 0 JEAAMP COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012099722 555907088 /nfs/dbraw/zinc/90/70/88/555907088.db2.gz APMJMNLXIXZVAW-ZLQZBKBYSA-N 2 1 452.603 2.377 50 0 JEAAMP Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000035401586 569690988 /nfs/dbraw/zinc/69/09/88/569690988.db2.gz XCNALFJAZQSXKE-SZPZYZBQSA-N 2 1 464.676 2.379 50 0 JEAAMP Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020866978 195234806 /nfs/dbraw/zinc/23/48/06/195234806.db2.gz CLQUERFNCOVORN-UHFFFAOYSA-N 2 1 453.566 2.300 50 0 JEAAMP C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000045945271 526248886 /nfs/dbraw/zinc/24/88/86/526248886.db2.gz LTOXGUJVKQXPHM-INIZCTEOSA-N 2 1 463.069 2.089 50 0 JEAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000045945271 526248888 /nfs/dbraw/zinc/24/88/88/526248888.db2.gz LTOXGUJVKQXPHM-INIZCTEOSA-N 2 1 463.069 2.089 50 0 JEAAMP CC[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1 ZINC000020136221 555660378 /nfs/dbraw/zinc/66/03/78/555660378.db2.gz UCETUQYXMNHDLO-UHFFFAOYSA-N 2 1 452.603 2.178 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2cccc(F)c2)C1=O ZINC000012037199 555890448 /nfs/dbraw/zinc/89/04/48/555890448.db2.gz PAUCSNABYUEHEJ-HHHXNRCGSA-N 2 1 480.584 2.119 50 0 JEAAMP C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000035401532 569690933 /nfs/dbraw/zinc/69/09/33/569690933.db2.gz SQFVTMMTABJCSL-CALCHBBNSA-N 2 1 477.096 2.192 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000230097284 570044902 /nfs/dbraw/zinc/04/49/02/570044902.db2.gz XPZDVJQQRWKKNU-JOCHJYFZSA-N 2 1 464.676 2.299 50 0 JEAAMP CC(C)Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974763 519440587 /nfs/dbraw/zinc/44/05/87/519440587.db2.gz WEDSWFZXXTUSRL-OAQYLSRUSA-N 2 1 464.676 2.182 50 0 JEAAMP CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000045945278 519838330 /nfs/dbraw/zinc/83/83/30/519838330.db2.gz WCGRACOOMANENT-OAQYLSRUSA-N 2 1 464.676 2.497 50 0 JEAAMP Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000045945414 524186784 /nfs/dbraw/zinc/18/67/84/524186784.db2.gz DGNXAINXYVEUIR-OYRHEFFESA-N 2 1 464.676 2.094 50 0 JEAAMP Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000035422066 569692598 /nfs/dbraw/zinc/69/25/98/569692598.db2.gz SKOGDLWKFQSQFU-UHFFFAOYSA-N 2 1 463.626 2.081 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@H+](Cc3nccn3C)C2)cn1 ZINC000014733116 525439839 /nfs/dbraw/zinc/43/98/39/525439839.db2.gz OVHYBRFBGLXLKV-BDTNDASRSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@@H+](Cc3nccn3C)C2)cn1 ZINC000014733116 525439845 /nfs/dbraw/zinc/43/98/45/525439845.db2.gz OVHYBRFBGLXLKV-BDTNDASRSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[NH+](Cc3nccn3C)C2)cn1 ZINC000014733116 525439854 /nfs/dbraw/zinc/43/98/54/525439854.db2.gz OVHYBRFBGLXLKV-BDTNDASRSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C[NH+](Cc3nccn3C)C2)cn1 ZINC000014733116 525439865 /nfs/dbraw/zinc/43/98/65/525439865.db2.gz OVHYBRFBGLXLKV-BDTNDASRSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014884683 525449225 /nfs/dbraw/zinc/44/92/25/525449225.db2.gz PPTPUWMPXIDQGV-YWEHKCAJSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014884683 525449236 /nfs/dbraw/zinc/44/92/36/525449236.db2.gz PPTPUWMPXIDQGV-YWEHKCAJSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033319 525590698 /nfs/dbraw/zinc/59/06/98/525590698.db2.gz FLNGOISKKFAENZ-UHFFFAOYSA-N 2 1 485.654 2.292 50 0 JEAAMP Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000046140970 526074083 /nfs/dbraw/zinc/07/40/83/526074083.db2.gz INZFRJUUJMTFGW-UHFFFAOYSA-N 2 1 484.666 2.337 50 0 JEAAMP Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000009407449 555168802 /nfs/dbraw/zinc/16/88/02/555168802.db2.gz XCVUCPPTXWUEIZ-UHFFFAOYSA-N 2 1 453.566 2.300 50 0 JEAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]C[C@@H](O)COc4cccc(OC)c4)CC3)cc2)CC1 ZINC000011913293 555863127 /nfs/dbraw/zinc/86/31/27/555863127.db2.gz LJZQWSOBMXVXGT-RUZDIDTESA-N 2 1 496.652 2.471 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011978429 555875810 /nfs/dbraw/zinc/87/58/10/555875810.db2.gz ASDWXBVIYATZOE-KCWPFWIISA-N 2 1 480.584 2.289 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011978429 555875814 /nfs/dbraw/zinc/87/58/14/555875814.db2.gz ASDWXBVIYATZOE-KCWPFWIISA-N 2 1 480.584 2.289 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2cccc(F)c2)C1=O ZINC000012037197 555890372 /nfs/dbraw/zinc/89/03/72/555890372.db2.gz PAUCSNABYUEHEJ-MHZLTWQESA-N 2 1 480.584 2.119 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000039388030 569809646 /nfs/dbraw/zinc/80/96/46/569809646.db2.gz ASDWXBVIYATZOE-WNCULLNHSA-N 2 1 480.584 2.289 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000039388030 569809647 /nfs/dbraw/zinc/80/96/47/569809647.db2.gz ASDWXBVIYATZOE-WNCULLNHSA-N 2 1 480.584 2.289 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000105851929 569853509 /nfs/dbraw/zinc/85/35/09/569853509.db2.gz DYDWRZKRUIZTCX-JOCHJYFZSA-N 2 1 464.676 2.299 50 0 JEAAMP COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCN1CCOCC1)C2 ZINC000169678858 569869346 /nfs/dbraw/zinc/86/93/46/569869346.db2.gz LSSUJETVJNYDPK-AZGAKELHSA-N 2 1 482.600 2.146 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299772019 570176031 /nfs/dbraw/zinc/17/60/31/570176031.db2.gz XUYNRQLWCISYIY-MUUNZHRXSA-N 2 1 476.621 2.288 50 0 JEAAMP CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945546 521191228 /nfs/dbraw/zinc/19/12/28/521191228.db2.gz NXURTCLVHIZURC-OYRHEFFESA-N 2 1 480.675 2.161 50 0 JEAAMP COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1C ZINC000014882319 524039884 /nfs/dbraw/zinc/03/98/84/524039884.db2.gz BNFTXTVCPOLCLU-IBGZPJMESA-N 2 1 454.619 2.481 50 0 JEAAMP Cc1cccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000046140974 524164532 /nfs/dbraw/zinc/16/45/32/524164532.db2.gz VQSJPVXFHJPWHG-UHFFFAOYSA-N 2 1 484.666 2.337 50 0 JEAAMP Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000046140973 525043964 /nfs/dbraw/zinc/04/39/64/525043964.db2.gz CJNOYMIQHRPYRB-UHFFFAOYSA-N 2 1 484.666 2.337 50 0 JEAAMP Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000045966934 526072500 /nfs/dbraw/zinc/07/25/00/526072500.db2.gz SRJHETDPIAAMLY-UHFFFAOYSA-N 2 1 463.626 2.081 50 0 JEAAMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000020530522 555797710 /nfs/dbraw/zinc/79/77/10/555797710.db2.gz WNGAMVAVQLBYSK-RTWAWAEBSA-N 2 1 476.629 2.008 50 0 JEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000020530522 555797714 /nfs/dbraw/zinc/79/77/14/555797714.db2.gz WNGAMVAVQLBYSK-RTWAWAEBSA-N 2 1 476.629 2.008 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299772020 570175974 /nfs/dbraw/zinc/17/59/74/570175974.db2.gz XUYNRQLWCISYIY-NDEPHWFRSA-N 2 1 476.621 2.288 50 0 JEAAMP COc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C ZINC000014992707 522193462 /nfs/dbraw/zinc/19/34/62/522193462.db2.gz UEDFLEAYCAMZHL-LJQANCHMSA-N 2 1 454.619 2.481 50 0 JEAAMP CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](CC)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033451 524015637 /nfs/dbraw/zinc/01/56/37/524015637.db2.gz ZYYAKEYMPRIJOM-UHFFFAOYSA-N 2 1 485.654 2.237 50 0 JEAAMP Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)NCC1CC[NH+](CCc2cccs2)CC1 ZINC000009407454 555169011 /nfs/dbraw/zinc/16/90/11/555169011.db2.gz KFOREBZAVYKTEH-UHFFFAOYSA-N 2 1 455.632 2.265 50 0 JEAAMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401629 569690983 /nfs/dbraw/zinc/69/09/83/569690983.db2.gz JWJNCDYJWIKEDT-HDICACEKSA-N 2 1 472.602 2.040 50 0 JEAAMP Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000035401619 569690996 /nfs/dbraw/zinc/69/09/96/569690996.db2.gz GBCZZWVHMDOYMB-OYRHEFFESA-N 2 1 450.649 2.071 50 0 JEAAMP CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945281 519838288 /nfs/dbraw/zinc/83/82/88/519838288.db2.gz WCGRACOOMANENT-NRFANRHFSA-N 2 1 464.676 2.497 50 0 JEAAMP COc1cc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C ZINC000014992709 522195669 /nfs/dbraw/zinc/19/56/69/522195669.db2.gz UEDFLEAYCAMZHL-IBGZPJMESA-N 2 1 454.619 2.481 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011882271 555851093 /nfs/dbraw/zinc/85/10/93/555851093.db2.gz CNVLMCABTOTPQD-YWEHKCAJSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011882271 555851097 /nfs/dbraw/zinc/85/10/97/555851097.db2.gz CNVLMCABTOTPQD-YWEHKCAJSA-N 2 1 476.621 2.459 50 0 JEAAMP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000015679433 555944860 /nfs/dbraw/zinc/94/48/60/555944860.db2.gz FSEFHPVDUHMDAF-UHFFFAOYSA-N 2 1 454.615 2.269 50 0 biogenic JEAAMP CC(C)c1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974759 519838445 /nfs/dbraw/zinc/83/84/45/519838445.db2.gz WAMWSPBOLUALNZ-HXUWFJFHSA-N 2 1 450.649 2.107 50 0 JEAAMP CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033449 524015792 /nfs/dbraw/zinc/01/57/92/524015792.db2.gz BDTRZDSYTKFSML-UHFFFAOYSA-N 2 1 485.654 2.237 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000045945300 524314246 /nfs/dbraw/zinc/31/42/46/524314246.db2.gz DYDWRZKRUIZTCX-QFIPXVFZSA-N 2 1 464.676 2.299 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)C[N@H+](Cc3ccncc3)C2)cn1 ZINC000014741635 525438076 /nfs/dbraw/zinc/43/80/76/525438076.db2.gz SNUXASDLTFBBNY-BJKOFHAPSA-N 2 1 467.614 2.141 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)C[N@@H+](Cc3ccncc3)C2)cn1 ZINC000014741635 525438085 /nfs/dbraw/zinc/43/80/85/525438085.db2.gz SNUXASDLTFBBNY-BJKOFHAPSA-N 2 1 467.614 2.141 50 0 JEAAMP CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H]([NH+]5CCC(C)CC5)C4=O)cc3)C2=O)CC1 ZINC000008412149 554577593 /nfs/dbraw/zinc/57/75/93/554577593.db2.gz QZPAJFNBSJJCKO-FGZHOGPDSA-N 2 1 466.582 2.414 50 0 JEAAMP COc1ccccc1C[NH+]1CCC(CNC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)CC1 ZINC000009407451 555168958 /nfs/dbraw/zinc/16/89/58/555168958.db2.gz SOACWRUUXQXPGF-UHFFFAOYSA-N 2 1 465.602 2.169 50 0 JEAAMP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020531756 555799291 /nfs/dbraw/zinc/79/92/91/555799291.db2.gz SFLLXHAPVFIGSO-UHFFFAOYSA-N 2 1 454.615 2.038 50 0 biogenic JEAAMP C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011978435 555875909 /nfs/dbraw/zinc/87/59/09/555875909.db2.gz ASDWXBVIYATZOE-YIXXDRMTSA-N 2 1 480.584 2.289 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000011978435 555875911 /nfs/dbraw/zinc/87/59/11/555875911.db2.gz ASDWXBVIYATZOE-YIXXDRMTSA-N 2 1 480.584 2.289 50 0 JEAAMP COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012099723 555907059 /nfs/dbraw/zinc/90/70/59/555907059.db2.gz APMJMNLXIXZVAW-FNQPIQQGSA-N 2 1 452.603 2.377 50 0 JEAAMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2=O ZINC000023257108 556036023 /nfs/dbraw/zinc/03/60/23/556036023.db2.gz CZKGYVBLHQDXNI-UHFFFAOYSA-N 2 1 453.509 2.187 50 0 JEAAMP CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H]([NH+]5CCC(C)CC5)C4=O)cc3)C2=O)CC1 ZINC000100623859 569765685 /nfs/dbraw/zinc/76/56/85/569765685.db2.gz QZPAJFNBSJJCKO-VXKWHMMOSA-N 2 1 466.582 2.414 50 0 JEAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(C)c(C)c3)c2)CC1 ZINC000033033342 521669804 /nfs/dbraw/zinc/66/98/04/521669804.db2.gz QLAIZIKSXSYENK-UHFFFAOYSA-N 2 1 485.654 2.292 50 0 JEAAMP Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033200 524193467 /nfs/dbraw/zinc/19/34/67/524193467.db2.gz PFNDKDFAPGTCPL-UHFFFAOYSA-N 2 1 485.654 2.292 50 0 JEAAMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000020530524 555797687 /nfs/dbraw/zinc/79/76/87/555797687.db2.gz WNGAMVAVQLBYSK-SFTDATJTSA-N 2 1 476.629 2.008 50 0 JEAAMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000020530524 555797690 /nfs/dbraw/zinc/79/76/90/555797690.db2.gz WNGAMVAVQLBYSK-SFTDATJTSA-N 2 1 476.629 2.008 50 0 JEAAMP C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)o1 ZINC000095541026 569726591 /nfs/dbraw/zinc/72/65/91/569726591.db2.gz FBVDEHNWAKVXGB-UHFFFAOYSA-N 2 1 472.537 2.424 50 0 JEAAMP CC(C)Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974765 519440104 /nfs/dbraw/zinc/44/01/04/519440104.db2.gz WEDSWFZXXTUSRL-NRFANRHFSA-N 2 1 464.676 2.182 50 0 JEAAMP CC(C)c1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974761 519838461 /nfs/dbraw/zinc/83/84/61/519838461.db2.gz WAMWSPBOLUALNZ-FQEVSTJZSA-N 2 1 450.649 2.107 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014884685 525399159 /nfs/dbraw/zinc/39/91/59/525399159.db2.gz PPTPUWMPXIDQGV-UFHPHHKVSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014884685 525399168 /nfs/dbraw/zinc/39/91/68/525399168.db2.gz PPTPUWMPXIDQGV-UFHPHHKVSA-N 2 1 476.621 2.459 50 0 JEAAMP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)o1 ZINC000020530526 555797857 /nfs/dbraw/zinc/79/78/57/555797857.db2.gz GBVYFVHFIJQTFH-HXUWFJFHSA-N 2 1 494.644 2.483 50 0 JEAAMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)o1 ZINC000020530526 555797862 /nfs/dbraw/zinc/79/78/62/555797862.db2.gz GBVYFVHFIJQTFH-HXUWFJFHSA-N 2 1 494.644 2.483 50 0 JEAAMP CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)o1 ZINC000020530528 555797905 /nfs/dbraw/zinc/79/79/05/555797905.db2.gz GBVYFVHFIJQTFH-FQEVSTJZSA-N 2 1 494.644 2.483 50 0 JEAAMP CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)o1 ZINC000020530528 555797907 /nfs/dbraw/zinc/79/79/07/555797907.db2.gz GBVYFVHFIJQTFH-FQEVSTJZSA-N 2 1 494.644 2.483 50 0 JEAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]C[C@H](O)COc4cccc(OC)c4)CC3)cc2)CC1 ZINC000011913294 555863002 /nfs/dbraw/zinc/86/30/02/555863002.db2.gz LJZQWSOBMXVXGT-VWLOTQADSA-N 2 1 496.652 2.471 50 0 JEAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000023354090 556048488 /nfs/dbraw/zinc/04/84/88/556048488.db2.gz VFWVYAXBVDHYBT-ZEQKJWHPSA-N 3 1 451.659 2.203 50 0 JEAAMP CN1CCN(C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023354090 556048491 /nfs/dbraw/zinc/04/84/91/556048491.db2.gz VFWVYAXBVDHYBT-ZEQKJWHPSA-N 2 1 451.659 2.203 50 0 JEAAMP CN1CCN(C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023354090 556048494 /nfs/dbraw/zinc/04/84/94/556048494.db2.gz VFWVYAXBVDHYBT-ZEQKJWHPSA-N 2 1 451.659 2.203 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000104365911 569845360 /nfs/dbraw/zinc/84/53/60/569845360.db2.gz ASDWXBVIYATZOE-HOFKKMOUSA-N 2 1 480.584 2.289 50 0 JEAAMP C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000104365911 569845361 /nfs/dbraw/zinc/84/53/61/569845361.db2.gz ASDWXBVIYATZOE-HOFKKMOUSA-N 2 1 480.584 2.289 50 0 JEAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000021534327 195310471 /nfs/dbraw/zinc/31/04/71/195310471.db2.gz SQJXHXCWVFTHST-QFIPXVFZSA-N 2 1 464.676 2.182 50 0 JEAAMP O=C(c1cccs1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000046140975 526834855 /nfs/dbraw/zinc/83/48/55/526834855.db2.gz FPTPUKWFZDXBPH-UHFFFAOYSA-N 2 1 476.668 2.090 50 0 JEAAMP O=C(Cc1cccs1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000046140976 527300083 /nfs/dbraw/zinc/30/00/83/527300083.db2.gz LLWWAABBADBDKI-UHFFFAOYSA-N 2 1 490.695 2.019 50 0 JEAAMP Cn1c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836158 569636688 /nfs/dbraw/zinc/63/66/88/569636688.db2.gz SMBHADSBUOYORH-UHFFFAOYSA-N 2 1 462.598 2.197 50 0 JEAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000045966754 521653790 /nfs/dbraw/zinc/65/37/90/521653790.db2.gz HNIHGUMIQHSUIK-IBGZPJMESA-N 2 1 451.409 2.198 50 0 JEAAMP CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945539 524010727 /nfs/dbraw/zinc/01/07/27/524010727.db2.gz AMHGUTLOPBABSX-OYRHEFFESA-N 2 1 464.676 2.325 50 0 JEAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000045945523 525511899 /nfs/dbraw/zinc/51/18/99/525511899.db2.gz SBRVFKIDUPSECM-SZPZYZBQSA-N 2 1 464.676 2.379 50 0 JEAAMP Cn1c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836160 569636656 /nfs/dbraw/zinc/63/66/56/569636656.db2.gz NFZRJMWQBHAOCF-UHFFFAOYSA-N 2 1 462.598 2.197 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@H+](Cc3nccn3C)C2)cn1 ZINC000014733115 525438771 /nfs/dbraw/zinc/43/87/71/525438771.db2.gz OVHYBRFBGLXLKV-BHDDXSALSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@@H+](Cc3nccn3C)C2)cn1 ZINC000014733115 525438784 /nfs/dbraw/zinc/43/87/84/525438784.db2.gz OVHYBRFBGLXLKV-BHDDXSALSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[NH+](Cc3nccn3C)C2)cn1 ZINC000014733115 525438793 /nfs/dbraw/zinc/43/87/93/525438793.db2.gz OVHYBRFBGLXLKV-BHDDXSALSA-N 2 1 454.619 2.241 50 0 JEAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C[NH+](Cc3nccn3C)C2)cn1 ZINC000014733115 525438801 /nfs/dbraw/zinc/43/88/01/525438801.db2.gz OVHYBRFBGLXLKV-BHDDXSALSA-N 2 1 454.619 2.241 50 0 JEAAMP O=C(CCN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000045966930 526474758 /nfs/dbraw/zinc/47/47/58/526474758.db2.gz UYNSITAMUYAHGK-UHFFFAOYSA-N 2 1 485.579 2.051 50 0 JEAAMP CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)NCCC[NH+]4CCOCC4)ccc3n2)CC1 ZINC000020104699 555637122 /nfs/dbraw/zinc/63/71/22/555637122.db2.gz ILHMBLBWCPNREU-UHFFFAOYSA-N 2 1 496.656 2.242 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011882272 555850988 /nfs/dbraw/zinc/85/09/88/555850988.db2.gz CNVLMCABTOTPQD-UFHPHHKVSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011882272 555850992 /nfs/dbraw/zinc/85/09/92/555850992.db2.gz CNVLMCABTOTPQD-UFHPHHKVSA-N 2 1 476.621 2.459 50 0 JEAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000021534324 195310585 /nfs/dbraw/zinc/31/05/85/195310585.db2.gz SQJXHXCWVFTHST-JOCHJYFZSA-N 2 1 464.676 2.182 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000045945468 524312802 /nfs/dbraw/zinc/31/28/02/524312802.db2.gz DLBLGNVVNYUWHT-BGYRXZFFSA-N 2 1 478.703 2.402 50 0 JEAAMP Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000045945380 524314119 /nfs/dbraw/zinc/31/41/19/524314119.db2.gz LSAFUOCFYAIIIW-OYRHEFFESA-N 2 1 478.703 2.402 50 0 JEAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000045945430 525511690 /nfs/dbraw/zinc/51/16/90/525511690.db2.gz XFMSWZNSNKILHB-OYRHEFFESA-N 2 1 464.676 2.094 50 0 JEAAMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000036155556 526098723 /nfs/dbraw/zinc/09/87/23/526098723.db2.gz WNGAMVAVQLBYSK-NHCUHLMSSA-N 2 1 476.629 2.008 50 0 JEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)C1 ZINC000036155556 526098732 /nfs/dbraw/zinc/09/87/32/526098732.db2.gz WNGAMVAVQLBYSK-NHCUHLMSSA-N 2 1 476.629 2.008 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000039364701 569809539 /nfs/dbraw/zinc/80/95/39/569809539.db2.gz PPTPUWMPXIDQGV-CUBQBAPOSA-N 2 1 476.621 2.459 50 0 JEAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000039364701 569809540 /nfs/dbraw/zinc/80/95/40/569809540.db2.gz PPTPUWMPXIDQGV-CUBQBAPOSA-N 2 1 476.621 2.459 50 0 JEAAMP