smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000012325500 539555249 /nfs/dbraw/zinc/55/52/49/539555249.db2.gz FMOPPKAPJSVOJP-UHFFFAOYSA-N 2 1 368.529 2.099 40 0 FEABMP CN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012325500 539555252 /nfs/dbraw/zinc/55/52/52/539555252.db2.gz FMOPPKAPJSVOJP-UHFFFAOYSA-N 2 1 368.529 2.099 40 0 FEABMP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CC[N@H+](C4CCOCC4)C3)c2)CC1 ZINC000019739080 539668474 /nfs/dbraw/zinc/66/84/74/539668474.db2.gz HLHAWLNYSWYCJH-GOSISDBHSA-N 2 1 372.513 2.027 40 0 FEABMP Cc1cccc(C[N@@H+]2CC[C@]3(c4ccccc4)C[NH+](CCO)C[C@H]3C2)n1 ZINC000107260227 206018348 /nfs/dbraw/zinc/01/83/48/206018348.db2.gz FMBJSWHIPNBKLB-IFMALSPDSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)C[NH+](CCO)C[C@H]3C2)n1 ZINC000107260227 206018353 /nfs/dbraw/zinc/01/83/53/206018353.db2.gz FMBJSWHIPNBKLB-IFMALSPDSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@]3(c4ccccc4)C[N@H+](CCO)C[C@H]3C2)n1 ZINC000107260227 206018358 /nfs/dbraw/zinc/01/83/58/206018358.db2.gz FMBJSWHIPNBKLB-IFMALSPDSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@]3(c4ccccc4)C[N@@H+](CCO)C[C@H]3C2)n1 ZINC000107260227 206018362 /nfs/dbraw/zinc/01/83/62/206018362.db2.gz FMBJSWHIPNBKLB-IFMALSPDSA-N 2 1 351.494 2.458 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000257294523 549725705 /nfs/dbraw/zinc/72/57/05/549725705.db2.gz QUNWIXAHHSFMBD-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000257294523 549725709 /nfs/dbraw/zinc/72/57/09/549725709.db2.gz QUNWIXAHHSFMBD-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000257317388 549727799 /nfs/dbraw/zinc/72/77/99/549727799.db2.gz VJOSUKSORMIBCF-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000022519179 539696110 /nfs/dbraw/zinc/69/61/10/539696110.db2.gz SRNKUBUQCDHAFL-SFHVURJKSA-N 2 1 359.514 2.371 40 0 FEABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000022519179 539696114 /nfs/dbraw/zinc/69/61/14/539696114.db2.gz SRNKUBUQCDHAFL-SFHVURJKSA-N 2 1 359.514 2.371 40 0 FEABMP Cn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cn1 ZINC000096158697 542994365 /nfs/dbraw/zinc/99/43/65/542994365.db2.gz RPKZARFCBKLXJH-IBGZPJMESA-N 2 1 355.486 2.071 40 0 FEABMP C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@H](C)C3)n2N)C1 ZINC000260572284 549729528 /nfs/dbraw/zinc/72/95/28/549729528.db2.gz MRPCQHLHXYLXPU-HDICACEKSA-N 2 1 362.566 2.321 40 0 FEABMP C[C@@H]1CCC[N@@H+](CCCc2nnc(CCC[NH+]3CCC[C@H](C)C3)n2N)C1 ZINC000260572284 549729531 /nfs/dbraw/zinc/72/95/31/549729531.db2.gz MRPCQHLHXYLXPU-HDICACEKSA-N 2 1 362.566 2.321 40 0 FEABMP C[C@@H]1CCC[N@H+](CCCc2nnc(CCC[NH+]3CCC[C@H](C)C3)n2N)C1 ZINC000260572284 549729534 /nfs/dbraw/zinc/72/95/34/549729534.db2.gz MRPCQHLHXYLXPU-HDICACEKSA-N 2 1 362.566 2.321 40 0 FEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000585102723 571223053 /nfs/dbraw/zinc/22/30/53/571223053.db2.gz BXKQAQQBXFYYJV-MRXNPFEDSA-N 2 1 353.532 2.258 40 0 FEABMP COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096208650 542995984 /nfs/dbraw/zinc/99/59/84/542995984.db2.gz OHPHKVITGOIODT-INIZCTEOSA-N 2 1 353.532 2.401 40 0 FEABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096208650 542995985 /nfs/dbraw/zinc/99/59/85/542995985.db2.gz OHPHKVITGOIODT-INIZCTEOSA-N 2 1 353.532 2.401 40 0 FEABMP COc1ccc(OC)c(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551651 539659262 /nfs/dbraw/zinc/65/92/62/539659262.db2.gz WHSHOUFKIFPPNU-AWEZNQCLSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc(OC)c(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551651 539659267 /nfs/dbraw/zinc/65/92/67/539659267.db2.gz WHSHOUFKIFPPNU-AWEZNQCLSA-N 2 1 354.454 2.129 40 0 FEABMP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CC[N@H+](C4CCOCC4)C3)c2)CC1 ZINC000019739081 539668569 /nfs/dbraw/zinc/66/85/69/539668569.db2.gz HLHAWLNYSWYCJH-SFHVURJKSA-N 2 1 372.513 2.027 40 0 FEABMP CC(C)CC[NH+]1CCC(O)(c2csc(CN3CC[NH+](C)CC3)n2)CC1 ZINC000225471858 548735292 /nfs/dbraw/zinc/73/52/92/548735292.db2.gz YEJZKXIFIYEUHF-UHFFFAOYSA-N 2 1 366.575 2.220 40 0 biogenic,in-vitro FEABMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096240348 209141654 /nfs/dbraw/zinc/14/16/54/209141654.db2.gz QIVFZBMZJJEXBW-JKSUJKDBSA-N 2 1 351.516 2.235 40 0 FEABMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096240348 209141656 /nfs/dbraw/zinc/14/16/56/209141656.db2.gz QIVFZBMZJJEXBW-JKSUJKDBSA-N 2 1 351.516 2.235 40 0 FEABMP Cn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)cn1 ZINC000096048076 209100361 /nfs/dbraw/zinc/10/03/61/209100361.db2.gz VLVHWXIIKGWBNV-IBGZPJMESA-N 2 1 355.486 2.071 40 0 FEABMP O=C(NCc1cccs1)[C@H]1C[N@H+](CC2CCOCC2)Cc2cncn21 ZINC000247475527 549339737 /nfs/dbraw/zinc/33/97/37/549339737.db2.gz HAGIBZJBVXSHQV-QGZVFWFLSA-N 2 1 360.483 2.044 40 0 FEABMP O=C(NCc1cccs1)[C@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000247475527 549339738 /nfs/dbraw/zinc/33/97/38/549339738.db2.gz HAGIBZJBVXSHQV-QGZVFWFLSA-N 2 1 360.483 2.044 40 0 FEABMP CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019500944 539658446 /nfs/dbraw/zinc/65/84/46/539658446.db2.gz KWAUXDRUIIMFQG-AEFFLSMTSA-N 2 1 371.529 2.093 40 0 FEABMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000096160994 209127927 /nfs/dbraw/zinc/12/79/27/209127927.db2.gz JMYCTKOCGCXLSA-QGZVFWFLSA-N 2 1 357.498 2.026 40 0 FEABMP O=C(NCc1cccs1)[C@@H]1C[N@H+](CC2CCOCC2)Cc2cncn21 ZINC000247475520 549340546 /nfs/dbraw/zinc/34/05/46/549340546.db2.gz HAGIBZJBVXSHQV-KRWDZBQOSA-N 2 1 360.483 2.044 40 0 FEABMP O=C(NCc1cccs1)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000247475520 549340551 /nfs/dbraw/zinc/34/05/51/549340551.db2.gz HAGIBZJBVXSHQV-KRWDZBQOSA-N 2 1 360.483 2.044 40 0 FEABMP COc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019564748 539661344 /nfs/dbraw/zinc/66/13/44/539661344.db2.gz VOTQSAGCNXATDQ-INIZCTEOSA-N 2 1 351.454 2.388 40 0 FEABMP COc1ccc(C[NH+]2CCC3(C[C@H](N4CC[NH+](C)CC4)CO3)CC2)cc1 ZINC000096048849 209103133 /nfs/dbraw/zinc/10/31/33/209103133.db2.gz DAKDBSZSXOOEKK-IBGZPJMESA-N 2 1 359.514 2.066 40 0 FEABMP C[NH+]1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306133488 553749859 /nfs/dbraw/zinc/74/98/59/553749859.db2.gz MNAPJHUYSRJNGW-UHFFFAOYSA-N 2 1 364.493 2.070 40 0 FEABMP CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C2(C1)CC[NH+](C)CC2 ZINC000019704049 539666245 /nfs/dbraw/zinc/66/62/45/539666245.db2.gz OUKMDLAENQXRID-SFHVURJKSA-N 2 1 352.482 2.410 40 0 FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2ccccn2)CC=CC3)CC1 ZINC000012135536 207340552 /nfs/dbraw/zinc/34/05/52/207340552.db2.gz MLFBURSSQGKEJQ-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccccn2)CC=CC3)CC1 ZINC000012135536 207340556 /nfs/dbraw/zinc/34/05/56/207340556.db2.gz MLFBURSSQGKEJQ-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000009062980 539498094 /nfs/dbraw/zinc/49/80/94/539498094.db2.gz PCAHDAFKADARDZ-UHFFFAOYSA-N 2 1 359.514 2.046 40 0 FEABMP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000257204300 549717800 /nfs/dbraw/zinc/71/78/00/549717800.db2.gz ATXALOJTQKUQPZ-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP c1cc(C[N@@H+]2CCOCC3(CC[NH+](CC4CCOCC4)CC3)C2)ccn1 ZINC000096239930 209142411 /nfs/dbraw/zinc/14/24/11/209142411.db2.gz GLSKIDOPHVNZTH-UHFFFAOYSA-N 2 1 359.514 2.423 40 0 FEABMP COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102795 571223049 /nfs/dbraw/zinc/22/30/49/571223049.db2.gz FVGDEBCDJGGPAY-LJQANCHMSA-N 2 1 366.546 2.252 40 0 FEABMP CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000072397262 541804573 /nfs/dbraw/zinc/80/45/73/541804573.db2.gz KWAUXDRUIIMFQG-WMZOPIPTSA-N 2 1 371.529 2.093 40 0 FEABMP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cn1 ZINC000096158698 209127665 /nfs/dbraw/zinc/12/76/65/209127665.db2.gz RPKZARFCBKLXJH-LJQANCHMSA-N 2 1 355.486 2.071 40 0 FEABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C3CCOCC3)CC2)cs1 ZINC000225463216 548735106 /nfs/dbraw/zinc/73/51/06/548735106.db2.gz PLHSUQSWHRWRKD-UHFFFAOYSA-N 2 1 353.532 2.447 40 0 biogenic,in-vitro FEABMP CCc1ncc(CN2CCN(c3cc(C)[nH+]c([C@@H]4CCC[NH2+]4)c3)CC2)cn1 ZINC000019697954 539665589 /nfs/dbraw/zinc/66/55/89/539665589.db2.gz WXSSHYFLVCPZPJ-IBGZPJMESA-N 2 1 366.513 2.489 40 0 FEABMP Cc1cccc(C[N@@H+]2CC[C@@]3(c4ccccc4)C[NH+](CCO)C[C@@H]3C2)n1 ZINC000096251792 209143968 /nfs/dbraw/zinc/14/39/68/209143968.db2.gz FMBJSWHIPNBKLB-UNMCSNQZSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)C[NH+](CCO)C[C@@H]3C2)n1 ZINC000096251792 209143969 /nfs/dbraw/zinc/14/39/69/209143969.db2.gz FMBJSWHIPNBKLB-UNMCSNQZSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@@]3(c4ccccc4)C[N@H+](CCO)C[C@@H]3C2)n1 ZINC000096251792 209143973 /nfs/dbraw/zinc/14/39/73/209143973.db2.gz FMBJSWHIPNBKLB-UNMCSNQZSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@@]3(c4ccccc4)C[N@@H+](CCO)C[C@@H]3C2)n1 ZINC000096251792 209143974 /nfs/dbraw/zinc/14/39/74/209143974.db2.gz FMBJSWHIPNBKLB-UNMCSNQZSA-N 2 1 351.494 2.458 40 0 FEABMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096240345 209142130 /nfs/dbraw/zinc/14/21/30/209142130.db2.gz QIVFZBMZJJEXBW-CVEARBPZSA-N 2 1 351.516 2.235 40 0 FEABMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096240345 209142133 /nfs/dbraw/zinc/14/21/33/209142133.db2.gz QIVFZBMZJJEXBW-CVEARBPZSA-N 2 1 351.516 2.235 40 0 FEABMP COc1ccc(C[NH+]2CCC3(C[C@@H](N4CC[NH+](C)CC4)CO3)CC2)cc1 ZINC000096048848 542989384 /nfs/dbraw/zinc/98/93/84/542989384.db2.gz DAKDBSZSXOOEKK-LJQANCHMSA-N 2 1 359.514 2.066 40 0 FEABMP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000022519173 211354953 /nfs/dbraw/zinc/35/49/53/211354953.db2.gz SRNKUBUQCDHAFL-GOSISDBHSA-N 2 1 359.514 2.371 40 0 FEABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000022519173 211354957 /nfs/dbraw/zinc/35/49/57/211354957.db2.gz SRNKUBUQCDHAFL-GOSISDBHSA-N 2 1 359.514 2.371 40 0 FEABMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709240 211246283 /nfs/dbraw/zinc/24/62/83/211246283.db2.gz VSWSGHBQXKJXJX-WEBJUUICSA-N 2 1 367.497 2.325 40 0 FEABMP COc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738807 543277493 /nfs/dbraw/zinc/27/74/93/543277493.db2.gz IMJWWMLLRMXRHX-PZJWPPBQSA-N 2 1 360.498 2.399 40 0 FEABMP Cc1cccc(C[N@@H+]2CC[C@]3(c4ccccc4)C[NH+](CCO)C[C@@H]3C2)n1 ZINC000096251791 222101516 /nfs/dbraw/zinc/10/15/16/222101516.db2.gz FMBJSWHIPNBKLB-RBBKRZOGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[N@H+]2CC[C@]3(c4ccccc4)C[NH+](CCO)C[C@@H]3C2)n1 ZINC000096251791 222101519 /nfs/dbraw/zinc/10/15/19/222101519.db2.gz FMBJSWHIPNBKLB-RBBKRZOGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@]3(c4ccccc4)C[N@H+](CCO)C[C@@H]3C2)n1 ZINC000096251791 222101522 /nfs/dbraw/zinc/10/15/22/222101522.db2.gz FMBJSWHIPNBKLB-RBBKRZOGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@]3(c4ccccc4)C[N@@H+](CCO)C[C@@H]3C2)n1 ZINC000096251791 222101524 /nfs/dbraw/zinc/10/15/24/222101524.db2.gz FMBJSWHIPNBKLB-RBBKRZOGSA-N 2 1 351.494 2.458 40 0 FEABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CC(=O)Nc2ccccc2)c1 ZINC000001723221 534961121 /nfs/dbraw/zinc/96/11/21/534961121.db2.gz JXPRDUBHFIPHBZ-UHFFFAOYSA-N 2 1 350.426 2.053 40 0 FEABMP C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306125765 210048516 /nfs/dbraw/zinc/04/85/16/210048516.db2.gz DBUVFGOFNRSGBZ-UHFFFAOYSA-N 2 1 364.453 2.370 40 0 FEABMP C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306125765 210048521 /nfs/dbraw/zinc/04/85/21/210048521.db2.gz DBUVFGOFNRSGBZ-UHFFFAOYSA-N 2 1 364.453 2.370 40 0 FEABMP COc1ccc2c(c1)CN(C(=O)CCC[NH3+])C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588831 211237619 /nfs/dbraw/zinc/23/76/19/211237619.db2.gz FIVVTKVJCPASNN-FQEVSTJZSA-N 2 1 361.486 2.010 40 0 FEABMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096209938 222080715 /nfs/dbraw/zinc/08/07/15/222080715.db2.gz JFBCGJZIVLJIBP-FGZHOGPDSA-N 2 1 357.542 2.490 40 0 FEABMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096209938 222080718 /nfs/dbraw/zinc/08/07/18/222080718.db2.gz JFBCGJZIVLJIBP-FGZHOGPDSA-N 2 1 357.542 2.490 40 0 FEABMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096209938 222080721 /nfs/dbraw/zinc/08/07/21/222080721.db2.gz JFBCGJZIVLJIBP-FGZHOGPDSA-N 2 1 357.542 2.490 40 0 FEABMP COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096208649 222077802 /nfs/dbraw/zinc/07/78/02/222077802.db2.gz OHPHKVITGOIODT-MRXNPFEDSA-N 2 1 353.532 2.401 40 0 FEABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096208649 222077807 /nfs/dbraw/zinc/07/78/07/222077807.db2.gz OHPHKVITGOIODT-MRXNPFEDSA-N 2 1 353.532 2.401 40 0 FEABMP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](CC3CCOCC3)C2)C1 ZINC000096220677 222083445 /nfs/dbraw/zinc/08/34/45/222083445.db2.gz VLGXJOLPOXZIBT-TZIWHRDSSA-N 2 1 359.514 2.279 40 0 FEABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](CC3CCOCC3)C2)C1 ZINC000096220677 222083450 /nfs/dbraw/zinc/08/34/50/222083450.db2.gz VLGXJOLPOXZIBT-TZIWHRDSSA-N 2 1 359.514 2.279 40 0 FEABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](CC3CCOCC3)C2)C1 ZINC000096220677 222083453 /nfs/dbraw/zinc/08/34/53/222083453.db2.gz VLGXJOLPOXZIBT-TZIWHRDSSA-N 2 1 359.514 2.279 40 0 FEABMP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2ccco2)CO3)ncn1 ZINC000248134060 549409336 /nfs/dbraw/zinc/40/93/36/549409336.db2.gz RCKDNTYZQKQPQY-INIZCTEOSA-N 2 1 371.485 2.253 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257335349 223069655 /nfs/dbraw/zinc/06/96/55/223069655.db2.gz YJUMFCVYSDPSES-MRXNPFEDSA-N 2 1 355.486 2.006 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257335349 223069658 /nfs/dbraw/zinc/06/96/58/223069658.db2.gz YJUMFCVYSDPSES-MRXNPFEDSA-N 2 1 355.486 2.006 40 0 FEABMP COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CC[NH+](C)CC2)C3)cc1 ZINC000096269392 222107538 /nfs/dbraw/zinc/10/75/38/222107538.db2.gz FIJJSKQRSVKQLB-SFHVURJKSA-N 2 1 356.470 2.141 40 0 biogenic,in-vitro FEABMP COc1ccc2c(c1)CN(C(=O)[C@H]1CCC[NH2+]1)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000248080505 549405792 /nfs/dbraw/zinc/40/57/92/549405792.db2.gz PLKTWAMSIWBKKL-WIYYLYMNSA-N 2 1 373.497 2.023 40 0 FEABMP Cc1cccc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)n1 ZINC000019236129 211209702 /nfs/dbraw/zinc/20/97/02/211209702.db2.gz CAEMPBGHIGSFLJ-IFMALSPDSA-N 2 1 368.525 2.465 40 0 FEABMP Cc1cccc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)n1 ZINC000019236129 211209707 /nfs/dbraw/zinc/20/97/07/211209707.db2.gz CAEMPBGHIGSFLJ-IFMALSPDSA-N 2 1 368.525 2.465 40 0 FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2cccnc2)CC=CC3)CC1 ZINC000012135529 539545629 /nfs/dbraw/zinc/54/56/29/539545629.db2.gz ULJZTOGVUYCVKC-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2cccnc2)CC=CC3)CC1 ZINC000012135529 539545632 /nfs/dbraw/zinc/54/56/32/539545632.db2.gz ULJZTOGVUYCVKC-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP CCc1ncc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cn1 ZINC000019523360 211228411 /nfs/dbraw/zinc/22/84/11/211228411.db2.gz BNKQQAMODIHDIU-UHFFFAOYSA-N 2 1 352.486 2.197 40 0 FEABMP CCc1ncc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cn1 ZINC000019523360 211228417 /nfs/dbraw/zinc/22/84/17/211228417.db2.gz BNKQQAMODIHDIU-UHFFFAOYSA-N 2 1 352.486 2.197 40 0 FEABMP CCc1ncc(CN2CCN(c3cc(C)[nH+]c([C@H]4CCC[NH2+]4)c3)CC2)cn1 ZINC000019697955 539665643 /nfs/dbraw/zinc/66/56/43/539665643.db2.gz WXSSHYFLVCPZPJ-LJQANCHMSA-N 2 1 366.513 2.489 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257335348 223069279 /nfs/dbraw/zinc/06/92/79/223069279.db2.gz YJUMFCVYSDPSES-INIZCTEOSA-N 2 1 355.486 2.006 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000257335348 223069281 /nfs/dbraw/zinc/06/92/81/223069281.db2.gz YJUMFCVYSDPSES-INIZCTEOSA-N 2 1 355.486 2.006 40 0 FEABMP C[NH+](C)C[C@H]1O[C@H](Cc2cc(C[N@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000085435931 521881037 /nfs/dbraw/zinc/88/10/37/521881037.db2.gz NXQGYHSPCDAGKY-SESVDKBCSA-N 2 1 373.497 2.319 40 0 biogenic,in-vitro FEABMP C[NH+](C)C[C@H]1O[C@H](Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000085435931 521881051 /nfs/dbraw/zinc/88/10/51/521881051.db2.gz NXQGYHSPCDAGKY-SESVDKBCSA-N 2 1 373.497 2.319 40 0 biogenic,in-vitro FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2ccncc2)CC=CC3)CC1 ZINC000012135532 539546181 /nfs/dbraw/zinc/54/61/81/539546181.db2.gz HBXAZADIOKLNDA-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccncc2)CC=CC3)CC1 ZINC000012135532 539546183 /nfs/dbraw/zinc/54/61/83/539546183.db2.gz HBXAZADIOKLNDA-TZIWHRDSSA-N 2 1 354.498 2.156 40 0 FEABMP COc1ccc(OC)c(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551647 220272120 /nfs/dbraw/zinc/27/21/20/220272120.db2.gz QDIXTQZYMBHEQW-GOSISDBHSA-N 2 1 354.454 2.477 40 0 FEABMP COc1ccc(OC)c(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551647 220272123 /nfs/dbraw/zinc/27/21/23/220272123.db2.gz QDIXTQZYMBHEQW-GOSISDBHSA-N 2 1 354.454 2.477 40 0 FEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000585102722 571222815 /nfs/dbraw/zinc/22/28/15/571222815.db2.gz BXKQAQQBXFYYJV-INIZCTEOSA-N 2 1 353.532 2.258 40 0 FEABMP COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1OC ZINC000019568049 220274248 /nfs/dbraw/zinc/27/42/48/220274248.db2.gz PNGSYQXCBZICLR-KRWDZBQOSA-N 2 1 354.454 2.477 40 0 FEABMP COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1OC ZINC000019568049 220274249 /nfs/dbraw/zinc/27/42/49/220274249.db2.gz PNGSYQXCBZICLR-KRWDZBQOSA-N 2 1 354.454 2.477 40 0 FEABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019348802 220251780 /nfs/dbraw/zinc/25/17/80/220251780.db2.gz IJTZBSMQDSVKRN-CQSZACIVSA-N 2 1 356.861 2.428 40 0 FEABMP COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102791 571223027 /nfs/dbraw/zinc/22/30/27/571223027.db2.gz FVGDEBCDJGGPAY-IBGZPJMESA-N 2 1 366.546 2.252 40 0 FEABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019293385 220246319 /nfs/dbraw/zinc/24/63/19/220246319.db2.gz FNNYQDKGYILLLO-AWEZNQCLSA-N 2 1 356.861 2.428 40 0 FEABMP Cn1ccnc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158706 222058087 /nfs/dbraw/zinc/05/80/87/222058087.db2.gz SGCRFYJPTNYIGJ-GOSISDBHSA-N 2 1 355.486 2.071 40 0 FEABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540724 263351961 /nfs/dbraw/zinc/35/19/61/263351961.db2.gz WCBZFVCGEUGPBR-UHFFFAOYSA-N 2 1 360.410 2.219 40 0 FEABMP COc1ccc2c(c1)CN(C(=O)[C@@H]1CCC[NH2+]1)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000012365632 539556243 /nfs/dbraw/zinc/55/62/43/539556243.db2.gz PLKTWAMSIWBKKL-RXVVDRJESA-N 2 1 373.497 2.023 40 0 FEABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019293384 220246537 /nfs/dbraw/zinc/24/65/37/220246537.db2.gz FNNYQDKGYILLLO-CQSZACIVSA-N 2 1 356.861 2.428 40 0 FEABMP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257274259 530067988 /nfs/dbraw/zinc/06/79/88/530067988.db2.gz NKFPLAOAFVJOIQ-GOSISDBHSA-N 2 1 366.509 2.263 40 0 FEABMP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257294269 223054031 /nfs/dbraw/zinc/05/40/31/223054031.db2.gz QTIHVZZWHRRSPB-VAMGGRTRSA-N 2 1 368.481 2.282 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCC[C@H]2CCC[N@@H+]2C)cn1 ZINC000257332691 223069198 /nfs/dbraw/zinc/06/91/98/223069198.db2.gz XYHGTGPYUKYWCJ-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCC[C@H]2CCC[N@H+]2C)cn1 ZINC000257332691 223069202 /nfs/dbraw/zinc/06/92/02/223069202.db2.gz XYHGTGPYUKYWCJ-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)cn1 ZINC000096048077 542989328 /nfs/dbraw/zinc/98/93/28/542989328.db2.gz VLVHWXIIKGWBNV-LJQANCHMSA-N 2 1 355.486 2.071 40 0 FEABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096051791 222003103 /nfs/dbraw/zinc/00/31/03/222003103.db2.gz OQQBMHCZVQHOGJ-FQEVSTJZSA-N 2 1 369.513 2.318 40 0 FEABMP CN(C)c1cc(N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2ccco2)CO3)ncn1 ZINC000248134066 549409074 /nfs/dbraw/zinc/40/90/74/549409074.db2.gz RCKDNTYZQKQPQY-MRXNPFEDSA-N 2 1 371.485 2.253 40 0 FEABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000019287975 539654538 /nfs/dbraw/zinc/65/45/38/539654538.db2.gz BVOABECRXHMWJZ-UHFFFAOYSA-N 2 1 368.481 2.345 40 0 FEABMP Cc1[nH+]ccn1CCCNC(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257212558 549718842 /nfs/dbraw/zinc/71/88/42/549718842.db2.gz CDYHTABRCRBXPU-UHFFFAOYSA-N 2 1 366.469 2.259 40 0 FEABMP C[N@@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306139641 553750714 /nfs/dbraw/zinc/75/07/14/553750714.db2.gz TWMFLKUKLJCMIV-UHFFFAOYSA-N 2 1 364.453 2.370 40 0 FEABMP C[N@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306139641 553750720 /nfs/dbraw/zinc/75/07/20/553750720.db2.gz TWMFLKUKLJCMIV-UHFFFAOYSA-N 2 1 364.453 2.370 40 0 FEABMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096240346 542997079 /nfs/dbraw/zinc/99/70/79/542997079.db2.gz QIVFZBMZJJEXBW-HZPDHXFCSA-N 2 1 351.516 2.235 40 0 FEABMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096240346 542997084 /nfs/dbraw/zinc/99/70/84/542997084.db2.gz QIVFZBMZJJEXBW-HZPDHXFCSA-N 2 1 351.516 2.235 40 0 FEABMP COc1cc(C[N@H+]2Cc3ccnn3C[C@@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248139577 549411068 /nfs/dbraw/zinc/41/10/68/549411068.db2.gz SXUUODKXWPAMIM-INIZCTEOSA-N 2 1 358.486 2.484 40 0 FEABMP COc1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248139577 549411073 /nfs/dbraw/zinc/41/10/73/549411073.db2.gz SXUUODKXWPAMIM-INIZCTEOSA-N 2 1 358.486 2.484 40 0 FEABMP CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C)C(=O)CCn1ccnc1 ZINC000257208244 549718010 /nfs/dbraw/zinc/71/80/10/549718010.db2.gz BLHWHWVWSGTDJC-LFGUQSLTSA-N 2 1 362.518 2.136 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000257294524 549725640 /nfs/dbraw/zinc/72/56/40/549725640.db2.gz QUNWIXAHHSFMBD-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCC[N@H+]2C)cn1 ZINC000257294524 549725645 /nfs/dbraw/zinc/72/56/45/549725645.db2.gz QUNWIXAHHSFMBD-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP COc1ccccc1C[N@H+]1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019570047 539661234 /nfs/dbraw/zinc/66/12/34/539661234.db2.gz NFSBUKQWEMDNKW-MRXNPFEDSA-N 2 1 351.454 2.388 40 0 FEABMP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000049155151 540382904 /nfs/dbraw/zinc/38/29/04/540382904.db2.gz JHERNLJAHCIYCZ-INIZCTEOSA-N 2 1 356.474 2.429 40 0 biogenic,in-vitro FEABMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000049155151 540382907 /nfs/dbraw/zinc/38/29/07/540382907.db2.gz JHERNLJAHCIYCZ-INIZCTEOSA-N 2 1 356.474 2.429 40 0 biogenic,in-vitro FEABMP CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000072397261 541804662 /nfs/dbraw/zinc/80/46/62/541804662.db2.gz KWAUXDRUIIMFQG-FUHWJXTLSA-N 2 1 371.529 2.093 40 0 FEABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)C1 ZINC000044913814 205114286 /nfs/dbraw/zinc/11/42/86/205114286.db2.gz WMVZBMUFYBZCTK-IBGZPJMESA-N 2 1 372.557 2.286 40 0 FEABMP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC000044913814 205114291 /nfs/dbraw/zinc/11/42/91/205114291.db2.gz WMVZBMUFYBZCTK-IBGZPJMESA-N 2 1 372.557 2.286 40 0 FEABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC000044913814 205114296 /nfs/dbraw/zinc/11/42/96/205114296.db2.gz WMVZBMUFYBZCTK-IBGZPJMESA-N 2 1 372.557 2.286 40 0 FEABMP COc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052023 542990069 /nfs/dbraw/zinc/99/00/69/542990069.db2.gz IMJWWMLLRMXRHX-CTNGQTDRSA-N 2 1 360.498 2.399 40 0 FEABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNC(=O)Nc2ccccc2)c1 ZINC000001727761 534962066 /nfs/dbraw/zinc/96/20/66/534962066.db2.gz BTPGXYNYDBTTQJ-UHFFFAOYSA-N 2 1 365.441 2.194 40 0 FEABMP C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@@H](C)C3)n2N)C1 ZINC000225149501 548731567 /nfs/dbraw/zinc/73/15/67/548731567.db2.gz MRPCQHLHXYLXPU-QZTJIDSGSA-N 2 1 362.566 2.321 40 0 FEABMP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c(OC)c1 ZINC000019552472 539659735 /nfs/dbraw/zinc/65/97/35/539659735.db2.gz MDNBLJCLVOHJDL-CQSZACIVSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c(OC)c1 ZINC000019552472 539659743 /nfs/dbraw/zinc/65/97/43/539659743.db2.gz MDNBLJCLVOHJDL-CQSZACIVSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc2c(c1)CN(C(=O)CCC[NH3+])C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588829 539663679 /nfs/dbraw/zinc/66/36/79/539663679.db2.gz FIVVTKVJCPASNN-HXUWFJFHSA-N 2 1 361.486 2.010 40 0 FEABMP COc1ccc(OC)c(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551645 539659390 /nfs/dbraw/zinc/65/93/90/539659390.db2.gz QDIXTQZYMBHEQW-SFHVURJKSA-N 2 1 354.454 2.477 40 0 FEABMP COc1ccc(OC)c(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551645 539659394 /nfs/dbraw/zinc/65/93/94/539659394.db2.gz QDIXTQZYMBHEQW-SFHVURJKSA-N 2 1 354.454 2.477 40 0 FEABMP CCn1ccnc1CN1CCN(c2cc(C)[nH+]c([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019697968 539665127 /nfs/dbraw/zinc/66/51/27/539665127.db2.gz PSHBQALXXSTRGM-SFHVURJKSA-N 2 1 354.502 2.353 40 0 FEABMP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000257204299 549717611 /nfs/dbraw/zinc/71/76/11/549717611.db2.gz ATXALOJTQKUQPZ-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096220567 542996471 /nfs/dbraw/zinc/99/64/71/542996471.db2.gz PAJRGQFEPNQBTM-LEWJYISDSA-N 2 1 352.482 2.447 40 0 FEABMP C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096220567 542996473 /nfs/dbraw/zinc/99/64/73/542996473.db2.gz PAJRGQFEPNQBTM-LEWJYISDSA-N 2 1 352.482 2.447 40 0 FEABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096220567 542996476 /nfs/dbraw/zinc/99/64/76/542996476.db2.gz PAJRGQFEPNQBTM-LEWJYISDSA-N 2 1 352.482 2.447 40 0 FEABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096220567 542996479 /nfs/dbraw/zinc/99/64/79/542996479.db2.gz PAJRGQFEPNQBTM-LEWJYISDSA-N 2 1 352.482 2.447 40 0 FEABMP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000257317389 549727948 /nfs/dbraw/zinc/72/79/48/549727948.db2.gz VJOSUKSORMIBCF-QGZVFWFLSA-N 2 1 355.486 2.148 40 0 FEABMP CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3C3CCN(C)CC3)ccc2c1N ZINC000257294559 549725225 /nfs/dbraw/zinc/72/52/25/549725225.db2.gz QURUKGAQRKBZRK-HNNXBMFYSA-N 2 1 373.526 2.469 40 0 FEABMP C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1O ZINC000514288841 560033728 /nfs/dbraw/zinc/03/37/28/560033728.db2.gz GLDCCLFEHIIQPE-GBESFXJTSA-N 2 1 368.468 2.457 40 0 biogenic,in-vitro FEABMP C[N@H+](Cc1cc(CC2([NH2+]C3CCOCC3)COC2)no1)Cc1ccccc1 ZINC000067898130 541526406 /nfs/dbraw/zinc/52/64/06/541526406.db2.gz IQYOJGLSZLRCRI-UHFFFAOYSA-N 2 1 371.481 2.387 40 0 biogenic,in-vitro FEABMP C[N@@H+](Cc1cc(CC2([NH2+]C3CCOCC3)COC2)no1)Cc1ccccc1 ZINC000067898130 541526411 /nfs/dbraw/zinc/52/64/11/541526411.db2.gz IQYOJGLSZLRCRI-UHFFFAOYSA-N 2 1 371.481 2.387 40 0 biogenic,in-vitro FEABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1scnc1C)CC2 ZINC000096207580 209134294 /nfs/dbraw/zinc/13/42/94/209134294.db2.gz UIOOTJDGENXPHU-MRXNPFEDSA-N 2 1 353.532 2.401 40 0 FEABMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096240347 209142383 /nfs/dbraw/zinc/14/23/83/209142383.db2.gz QIVFZBMZJJEXBW-HOTGVXAUSA-N 2 1 351.516 2.235 40 0 FEABMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096240347 209142386 /nfs/dbraw/zinc/14/23/86/209142386.db2.gz QIVFZBMZJJEXBW-HOTGVXAUSA-N 2 1 351.516 2.235 40 0 FEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccccn4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036288 209096951 /nfs/dbraw/zinc/09/69/51/209096951.db2.gz BOWQIGSJDKFXMM-GHTZIAJQSA-N 2 1 356.514 2.094 40 0 FEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000247972651 549396402 /nfs/dbraw/zinc/39/64/02/549396402.db2.gz DPINDPJAPYVNIK-LJQANCHMSA-N 2 1 364.534 2.271 40 0 FEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4nccs4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096062582 209107195 /nfs/dbraw/zinc/10/71/95/209107195.db2.gz FCJQSTUBKGFAJU-HNAYVOBHSA-N 2 1 362.543 2.155 40 0 FEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4nccs4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096062582 209107199 /nfs/dbraw/zinc/10/71/99/209107199.db2.gz FCJQSTUBKGFAJU-HNAYVOBHSA-N 2 1 362.543 2.155 40 0 FEABMP Cn1ccnc1-c1cnc(CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000257247649 549720918 /nfs/dbraw/zinc/72/09/18/549720918.db2.gz IZXZCFSONVOALV-UHFFFAOYSA-N 2 1 354.502 2.226 40 0 FEABMP COc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019564744 539661064 /nfs/dbraw/zinc/66/10/64/539661064.db2.gz VOTQSAGCNXATDQ-MRXNPFEDSA-N 2 1 351.454 2.388 40 0 FEABMP CC(=O)N[C@H]1C[N@@H+](Cc2ccnc3ccccc23)C2(C1)CC[NH+](C)CC2 ZINC000019704048 539666219 /nfs/dbraw/zinc/66/62/19/539666219.db2.gz OUKMDLAENQXRID-GOSISDBHSA-N 2 1 352.482 2.410 40 0 FEABMP CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(C[NH+](C)C)on3)C2(C)C)CC1 ZINC000067890214 207223831 /nfs/dbraw/zinc/22/38/31/207223831.db2.gz BKUUUVGSUZGWRO-BEFAXECRSA-N 2 1 362.518 2.294 40 0 biogenic,in-vitro FEABMP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257274260 549722884 /nfs/dbraw/zinc/72/28/84/549722884.db2.gz NKFPLAOAFVJOIQ-SFHVURJKSA-N 2 1 366.509 2.263 40 0 FEABMP CCOc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019533191 539660135 /nfs/dbraw/zinc/66/01/35/539660135.db2.gz JWSGIYQZTXDSPN-INIZCTEOSA-N 2 1 366.469 2.173 40 0 FEABMP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](C4CCCC4)CC3)cs2)CC1 ZINC000225471604 548735125 /nfs/dbraw/zinc/73/51/25/548735125.db2.gz HWPBFSSPFVENKB-UHFFFAOYSA-N 2 1 364.559 2.117 40 0 biogenic,in-vitro FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000257332690 210000423 /nfs/dbraw/zinc/00/04/23/210000423.db2.gz XYHGTGPYUKYWCJ-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCC[C@@H]2CCC[N@H+]2C)cn1 ZINC000257332690 210000425 /nfs/dbraw/zinc/00/04/25/210000425.db2.gz XYHGTGPYUKYWCJ-KRWDZBQOSA-N 2 1 355.486 2.148 40 0 FEABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096051790 209102217 /nfs/dbraw/zinc/10/22/17/209102217.db2.gz OQQBMHCZVQHOGJ-HXUWFJFHSA-N 2 1 369.513 2.318 40 0 FEABMP Cc1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)s1 ZINC000096255675 132224521 /nfs/dbraw/zinc/22/45/21/132224521.db2.gz TUSFWHLRTBSUPH-UHFFFAOYSA-N 2 1 357.527 2.199 40 0 FEABMP Cc1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)s1 ZINC000096255675 132224522 /nfs/dbraw/zinc/22/45/22/132224522.db2.gz TUSFWHLRTBSUPH-UHFFFAOYSA-N 2 1 357.527 2.199 40 0 FEABMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H]2CCOC2)CC1 ZINC000096160996 209127584 /nfs/dbraw/zinc/12/75/84/209127584.db2.gz JMYCTKOCGCXLSA-KRWDZBQOSA-N 2 1 357.498 2.026 40 0 FEABMP COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)C[NH+]4CCCCC4)C[C@@H]32)cc1 ZINC000257214645 533207879 /nfs/dbraw/zinc/20/78/79/533207879.db2.gz CMTNPZVHTWLHSF-NJDAHSKKSA-N 2 1 371.525 2.427 40 0 FEABMP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096055956 222004604 /nfs/dbraw/zinc/00/46/04/222004604.db2.gz WFPQPFDSIQJWCQ-LPHOPBHVSA-N 2 1 366.527 2.472 40 0 FEABMP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096055956 222004607 /nfs/dbraw/zinc/00/46/07/222004607.db2.gz WFPQPFDSIQJWCQ-LPHOPBHVSA-N 2 1 366.527 2.472 40 0 FEABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096055956 222004609 /nfs/dbraw/zinc/00/46/09/222004609.db2.gz WFPQPFDSIQJWCQ-LPHOPBHVSA-N 2 1 366.527 2.472 40 0 FEABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096055956 222004614 /nfs/dbraw/zinc/00/46/14/222004614.db2.gz WFPQPFDSIQJWCQ-LPHOPBHVSA-N 2 1 366.527 2.472 40 0 FEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000247972648 549396857 /nfs/dbraw/zinc/39/68/57/549396857.db2.gz DPINDPJAPYVNIK-IBGZPJMESA-N 2 1 364.534 2.271 40 0 FEABMP COc1ccc(OC)c(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551649 211230732 /nfs/dbraw/zinc/23/07/32/211230732.db2.gz WHSHOUFKIFPPNU-CQSZACIVSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc(OC)c(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551649 211230738 /nfs/dbraw/zinc/23/07/38/211230738.db2.gz WHSHOUFKIFPPNU-CQSZACIVSA-N 2 1 354.454 2.129 40 0 FEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4cccnc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036289 542988241 /nfs/dbraw/zinc/98/82/41/542988241.db2.gz LOIFZJOIIHPXRP-GHTZIAJQSA-N 2 1 356.514 2.094 40 0 FEABMP C[C@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@H](C)C3)n2N)C1 ZINC000260572289 549729355 /nfs/dbraw/zinc/72/93/55/549729355.db2.gz MRPCQHLHXYLXPU-ROUUACIJSA-N 2 1 362.566 2.321 40 0 FEABMP CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035426260 539982344 /nfs/dbraw/zinc/98/23/44/539982344.db2.gz RJATZPHACCDICP-INIZCTEOSA-N 2 1 356.474 2.429 40 0 biogenic,in-vitro FEABMP CCOc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019533189 211230155 /nfs/dbraw/zinc/23/01/55/211230155.db2.gz JWSGIYQZTXDSPN-MRXNPFEDSA-N 2 1 366.469 2.173 40 0 FEABMP Cc1cccc(C[N@@H+]2CC[C@@]3(c4ccccc4)C[NH+](CCO)C[C@H]3C2)n1 ZINC000247859933 549386480 /nfs/dbraw/zinc/38/64/80/549386480.db2.gz FMBJSWHIPNBKLB-IRLDBZIGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[N@H+]2CC[C@@]3(c4ccccc4)C[NH+](CCO)C[C@H]3C2)n1 ZINC000247859933 549386483 /nfs/dbraw/zinc/38/64/83/549386483.db2.gz FMBJSWHIPNBKLB-IRLDBZIGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@@]3(c4ccccc4)C[N@H+](CCO)C[C@H]3C2)n1 ZINC000247859933 549386486 /nfs/dbraw/zinc/38/64/86/549386486.db2.gz FMBJSWHIPNBKLB-IRLDBZIGSA-N 2 1 351.494 2.458 40 0 FEABMP Cc1cccc(C[NH+]2CC[C@@]3(c4ccccc4)C[N@@H+](CCO)C[C@H]3C2)n1 ZINC000247859933 549386490 /nfs/dbraw/zinc/38/64/90/549386490.db2.gz FMBJSWHIPNBKLB-IRLDBZIGSA-N 2 1 351.494 2.458 40 0 FEABMP CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019500943 539658628 /nfs/dbraw/zinc/65/86/28/539658628.db2.gz KWAUXDRUIIMFQG-SJLPKXTDSA-N 2 1 371.529 2.093 40 0 FEABMP CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000020489021 211282993 /nfs/dbraw/zinc/28/29/93/211282993.db2.gz SVFGQBMNOWSQHF-UHFFFAOYSA-N 2 1 359.514 2.371 40 0 FEABMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709241 211247395 /nfs/dbraw/zinc/24/73/95/211247395.db2.gz VSWSGHBQXKJXJX-UKTKYZJWSA-N 2 1 367.497 2.325 40 0 FEABMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096207212 222076919 /nfs/dbraw/zinc/07/69/19/222076919.db2.gz JFBCGJZIVLJIBP-FCHUYYIVSA-N 2 1 357.542 2.490 40 0 FEABMP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096207212 222076923 /nfs/dbraw/zinc/07/69/23/222076923.db2.gz JFBCGJZIVLJIBP-FCHUYYIVSA-N 2 1 357.542 2.490 40 0 FEABMP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)O2)CC1 ZINC000096207212 222076925 /nfs/dbraw/zinc/07/69/25/222076925.db2.gz JFBCGJZIVLJIBP-FCHUYYIVSA-N 2 1 357.542 2.490 40 0 FEABMP COc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738810 222399807 /nfs/dbraw/zinc/39/98/07/222399807.db2.gz IMJWWMLLRMXRHX-FPOVZHCZSA-N 2 1 360.498 2.399 40 0 FEABMP COc1cc(C[N@H+]2Cc3ccnn3C[C@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248139582 549410300 /nfs/dbraw/zinc/41/03/00/549410300.db2.gz SXUUODKXWPAMIM-MRXNPFEDSA-N 2 1 358.486 2.484 40 0 FEABMP COc1cc(C[N@@H+]2Cc3ccnn3C[C@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248139582 549410303 /nfs/dbraw/zinc/41/03/03/549410303.db2.gz SXUUODKXWPAMIM-MRXNPFEDSA-N 2 1 358.486 2.484 40 0 FEABMP COc1ccc2c(c1)CN(C(=O)[C@H]1CCC[NH2+]1)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000248080502 549405671 /nfs/dbraw/zinc/40/56/71/549405671.db2.gz PLKTWAMSIWBKKL-NQIIRXRSSA-N 2 1 373.497 2.023 40 0 FEABMP Cn1ccnc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158705 222057657 /nfs/dbraw/zinc/05/76/57/222057657.db2.gz SGCRFYJPTNYIGJ-SFHVURJKSA-N 2 1 355.486 2.071 40 0 FEABMP CCn1ccnc1CN1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697969 539665017 /nfs/dbraw/zinc/66/50/17/539665017.db2.gz PSHBQALXXSTRGM-GOSISDBHSA-N 2 1 354.502 2.353 40 0 FEABMP COc1ccccc1C[N@H+]1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019570051 220274428 /nfs/dbraw/zinc/27/44/28/220274428.db2.gz NFSBUKQWEMDNKW-INIZCTEOSA-N 2 1 351.454 2.388 40 0 FEABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1scnc1C)CC2 ZINC000096207581 222076944 /nfs/dbraw/zinc/07/69/44/222076944.db2.gz UIOOTJDGENXPHU-INIZCTEOSA-N 2 1 353.532 2.401 40 0 FEABMP S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1)Nc1ccccc1 ZINC000020503782 120050257 /nfs/dbraw/zinc/05/02/57/120050257.db2.gz ACAMIWCGVBLJJL-JENIJYKNSA-N 2 1 374.554 2.016 40 0 biogenic,in-vitro FEABMP COc1ccc2c(c1)CN(C(=O)[C@@H]1CCC[NH2+]1)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000012365631 539556640 /nfs/dbraw/zinc/55/66/40/539556640.db2.gz PLKTWAMSIWBKKL-GHTZIAJQSA-N 2 1 373.497 2.023 40 0 FEABMP COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1OC ZINC000019568052 220273661 /nfs/dbraw/zinc/27/36/61/220273661.db2.gz PNGSYQXCBZICLR-QGZVFWFLSA-N 2 1 354.454 2.477 40 0 FEABMP COc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1OC ZINC000019568052 220273667 /nfs/dbraw/zinc/27/36/67/220273667.db2.gz PNGSYQXCBZICLR-QGZVFWFLSA-N 2 1 354.454 2.477 40 0 FEABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)C1 ZINC000044913810 540145107 /nfs/dbraw/zinc/14/51/07/540145107.db2.gz WMVZBMUFYBZCTK-LJQANCHMSA-N 2 1 372.557 2.286 40 0 FEABMP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC000044913810 540145111 /nfs/dbraw/zinc/14/51/11/540145111.db2.gz WMVZBMUFYBZCTK-LJQANCHMSA-N 2 1 372.557 2.286 40 0 FEABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC000044913810 540145116 /nfs/dbraw/zinc/14/51/16/540145116.db2.gz WMVZBMUFYBZCTK-LJQANCHMSA-N 2 1 372.557 2.286 40 0 FEABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019348804 220252783 /nfs/dbraw/zinc/25/27/83/220252783.db2.gz IJTZBSMQDSVKRN-AWEZNQCLSA-N 2 1 356.861 2.428 40 0 FEABMP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c(OC)c1 ZINC000019552475 220272028 /nfs/dbraw/zinc/27/20/28/220272028.db2.gz MDNBLJCLVOHJDL-AWEZNQCLSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c(OC)c1 ZINC000019552475 220272032 /nfs/dbraw/zinc/27/20/32/220272032.db2.gz MDNBLJCLVOHJDL-AWEZNQCLSA-N 2 1 354.454 2.129 40 0 FEABMP COc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052024 222002639 /nfs/dbraw/zinc/00/26/39/222002639.db2.gz IMJWWMLLRMXRHX-TZIWHRDSSA-N 2 1 360.498 2.399 40 0 FEABMP Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC[NH+]4CCCC4)C[C@H]32)s1 ZINC000096055590 222004293 /nfs/dbraw/zinc/00/42/93/222004293.db2.gz GNMKIXPNWJPOMV-KURKYZTESA-N 2 1 363.527 2.000 40 0 FEABMP