smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)c(=O)n2C ZINC000023318057 1067956652 /nfs/dbraw/zinc/95/66/52/1067956652.db2.gz BLCCPXQVHAQYLW-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000105524402 1067799139 /nfs/dbraw/zinc/79/91/39/1067799139.db2.gz MKPVVKUXVQPQQQ-LJQANCHMSA-N 1 0 425.574 -1.064 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000105524404 1067799019 /nfs/dbraw/zinc/79/90/19/1067799019.db2.gz MKPVVKUXVQPQQQ-IBGZPJMESA-N 1 0 425.574 -1.064 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)c(=O)n2C ZINC000108150051 1067962326 /nfs/dbraw/zinc/96/23/26/1067962326.db2.gz AXYTYYJWJLAFSQ-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c(=O)n2C ZINC000109262930 1067620684 /nfs/dbraw/zinc/62/06/84/1067620684.db2.gz IAUJUJREWNWJBC-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO CC(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC000136493658 1068332014 /nfs/dbraw/zinc/33/20/14/1068332014.db2.gz YWMPLPMQYXBRJX-ZOBUZTSGSA-N 1 0 440.545 -1.647 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000410166381 1068151438 /nfs/dbraw/zinc/15/14/38/1068151438.db2.gz DNFJKZAKGWXKJG-UHFFFAOYSA-N 1 0 435.485 -2.317 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000410169041 1068151978 /nfs/dbraw/zinc/15/19/78/1068151978.db2.gz PTHZGQSQOYAOQL-UHFFFAOYSA-N 1 0 435.485 -2.317 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000410169050 1068152000 /nfs/dbraw/zinc/15/20/00/1068152000.db2.gz PWDJHCSBLLBMQA-UHFFFAOYSA-N 1 0 446.302 -1.040 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000410169285 1068152009 /nfs/dbraw/zinc/15/20/09/1068152009.db2.gz DFGIJVGQVZRKQP-UHFFFAOYSA-N 1 0 444.558 -1.354 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000410169791 1068151868 /nfs/dbraw/zinc/15/18/68/1068151868.db2.gz HALZRVUPCBWTRF-AWEZNQCLSA-N 1 0 430.531 -1.664 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000410169794 1068151992 /nfs/dbraw/zinc/15/19/92/1068151992.db2.gz HALZRVUPCBWTRF-CQSZACIVSA-N 1 0 430.531 -1.664 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000410170548 1068151937 /nfs/dbraw/zinc/15/19/37/1068151937.db2.gz DALFMNUALBEWGZ-UHFFFAOYSA-N 1 0 427.527 -1.049 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000410170562 1068152037 /nfs/dbraw/zinc/15/20/37/1068152037.db2.gz DGEABPVANDGDON-GOSISDBHSA-N 1 0 439.557 -1.584 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000410170563 1068151921 /nfs/dbraw/zinc/15/19/21/1068151921.db2.gz DGEABPVANDGDON-SFHVURJKSA-N 1 0 439.557 -1.584 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000410170791 1068152027 /nfs/dbraw/zinc/15/20/27/1068152027.db2.gz FYUPZDGUYXLPCX-UHFFFAOYSA-N 1 0 449.512 -1.927 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000410170943 1068151950 /nfs/dbraw/zinc/15/19/50/1068151950.db2.gz HZQGBDVRAWDIAC-UHFFFAOYSA-N 1 0 434.497 -1.712 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000410171226 1068151339 /nfs/dbraw/zinc/15/13/39/1068151339.db2.gz KGFJYUZSSYEOGF-UHFFFAOYSA-N 1 0 446.508 -1.197 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000410171313 1068151396 /nfs/dbraw/zinc/15/13/96/1068151396.db2.gz KWXLLNRTTCDRQV-UHFFFAOYSA-N 1 0 430.531 -1.744 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000410171422 1068151812 /nfs/dbraw/zinc/15/18/12/1068151812.db2.gz SHOXXICTZOIDQR-UHFFFAOYSA-N 1 0 427.527 -1.001 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000410171972 1068151832 /nfs/dbraw/zinc/15/18/32/1068151832.db2.gz XSZKVRHZLQNIFJ-UHFFFAOYSA-N 1 0 446.508 -1.197 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000410172086 1068151788 /nfs/dbraw/zinc/15/17/88/1068151788.db2.gz ZTYWEMLRLMQYMS-UHFFFAOYSA-N 1 0 432.481 -1.505 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000410175646 1068151723 /nfs/dbraw/zinc/15/17/23/1068151723.db2.gz RZRPRGDZTCNKBH-UHFFFAOYSA-N 1 0 432.481 -1.505 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)CC1 ZINC000410320779 1068152726 /nfs/dbraw/zinc/15/27/26/1068152726.db2.gz HEHXCZFZTJBQQU-UHFFFAOYSA-N 1 0 445.634 -1.168 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000410329894 1068152758 /nfs/dbraw/zinc/15/27/58/1068152758.db2.gz KNOYVMPUWJZKSC-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1)N1CCOCC1 ZINC000426131075 1067643057 /nfs/dbraw/zinc/64/30/57/1067643057.db2.gz YRBUNYPQODSQNR-HNNXBMFYSA-N 1 0 449.474 -1.010 20 0 IAADRO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1)N1CCOCC1 ZINC000426131079 1067643709 /nfs/dbraw/zinc/64/37/09/1067643709.db2.gz YRBUNYPQODSQNR-OAHLLOKOSA-N 1 0 449.474 -1.010 20 0 IAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)n2)CC1 ZINC000427020292 1067738108 /nfs/dbraw/zinc/73/81/08/1067738108.db2.gz PSRHKAFJIYOTAI-UHFFFAOYSA-N 1 0 431.497 -0.962 20 0 IAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427020429 1067983534 /nfs/dbraw/zinc/98/35/34/1067983534.db2.gz FKHWZEZXKGFYBH-UHFFFAOYSA-N 1 0 433.513 -0.716 20 0 IAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2)CC1 ZINC000427026694 1067738145 /nfs/dbraw/zinc/73/81/45/1067738145.db2.gz KOQLEIMSYZIEJG-UHFFFAOYSA-N 1 0 445.524 -0.619 20 0 IAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)n2)CC1 ZINC000427112661 1067738557 /nfs/dbraw/zinc/73/85/57/1067738557.db2.gz CFMRQGMUTQGRBC-UHFFFAOYSA-N 1 0 447.540 -0.909 20 0 IAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2)CC1 ZINC000427319198 1067739102 /nfs/dbraw/zinc/73/91/02/1067739102.db2.gz GWNGWCLAMCEGRK-UHFFFAOYSA-N 1 0 447.540 -0.909 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427519009 1067740075 /nfs/dbraw/zinc/74/00/75/1067740075.db2.gz KPRYUJIYORMUFM-UHFFFAOYSA-N 1 0 435.529 -1.005 20 0 IAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCNS(=O)(=O)c3cccnc3)n2)CC1 ZINC000427583258 1067745738 /nfs/dbraw/zinc/74/57/38/1067745738.db2.gz MYTKGKAIPADNMC-UHFFFAOYSA-N 1 0 435.510 -0.422 20 0 IAADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000427672214 1067748631 /nfs/dbraw/zinc/74/86/31/1067748631.db2.gz LZVGTUAEVJMMQL-MRXNPFEDSA-N 1 0 448.524 -0.608 20 0 IAADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000427672290 1067748532 /nfs/dbraw/zinc/74/85/32/1067748532.db2.gz LZVGTUAEVJMMQL-INIZCTEOSA-N 1 0 448.524 -0.608 20 0 IAADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C[C@H]2C1 ZINC000427880809 1067749228 /nfs/dbraw/zinc/74/92/28/1067749228.db2.gz WYFYHDDAENPPNX-OKILXGFUSA-N 1 0 435.506 -1.234 20 0 IAADRO CN(CC1(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)COC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428814733 1067906827 /nfs/dbraw/zinc/90/68/27/1067906827.db2.gz SRNOKMHQSQWDTR-HOTGVXAUSA-N 1 0 438.616 -1.066 20 0 IAADRO CN(CC1(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)COC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428814734 1067906912 /nfs/dbraw/zinc/90/69/12/1067906912.db2.gz SRNOKMHQSQWDTR-HZPDHXFCSA-N 1 0 438.616 -1.066 20 0 IAADRO CN(CC1(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)COC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428814735 1067906991 /nfs/dbraw/zinc/90/69/91/1067906991.db2.gz SRNOKMHQSQWDTR-IYBDPMFKSA-N 1 0 438.616 -1.066 20 0 IAADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000429020667 1067790062 /nfs/dbraw/zinc/79/00/62/1067790062.db2.gz NRHZTJUVXFGPHB-IAGOWNOFSA-N 1 0 430.571 -1.065 20 0 IAADRO O=C(CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429390460 1067987638 /nfs/dbraw/zinc/98/76/38/1067987638.db2.gz UUMJQEVZBVMGKK-CYBMUJFWSA-N 1 0 445.480 -0.569 20 0 IAADRO O=C(CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429390463 1067987685 /nfs/dbraw/zinc/98/76/85/1067987685.db2.gz UUMJQEVZBVMGKK-ZDUSSCGKSA-N 1 0 445.480 -0.569 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)cn1 ZINC000430239735 1067619479 /nfs/dbraw/zinc/61/94/79/1067619479.db2.gz MMQXDWUZFIYUJN-KRWDZBQOSA-N 1 0 435.529 -1.177 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cn1 ZINC000430239743 1067619550 /nfs/dbraw/zinc/61/95/50/1067619550.db2.gz MMQXDWUZFIYUJN-QGZVFWFLSA-N 1 0 435.529 -1.177 20 0 IAADRO O=C(CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NCC[NH+]1CCCCCC1 ZINC000431515319 1067643684 /nfs/dbraw/zinc/64/36/84/1067643684.db2.gz YZCQGPJGHSDWSA-AEVYOOLXSA-N 1 0 449.512 -1.158 20 0 IAADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431593925 1067656666 /nfs/dbraw/zinc/65/66/66/1067656666.db2.gz ASLDJAAGTCUVSI-UHFFFAOYSA-N 1 0 425.577 -1.610 20 0 IAADRO O=C(CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000432444057 1067676782 /nfs/dbraw/zinc/67/67/82/1067676782.db2.gz BOYBRAQBFAMRCL-HNNXBMFYSA-N 1 0 431.559 -1.029 20 0 IAADRO O=C(CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000432444061 1067676735 /nfs/dbraw/zinc/67/67/35/1067676735.db2.gz BOYBRAQBFAMRCL-OAHLLOKOSA-N 1 0 431.559 -1.029 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000434672835 1067712963 /nfs/dbraw/zinc/71/29/63/1067712963.db2.gz AUGXNRFXNVFEKQ-UHFFFAOYSA-N 1 0 429.529 -1.282 20 0 IAADRO C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436054746 1067677775 /nfs/dbraw/zinc/67/77/75/1067677775.db2.gz SGLZEPBMTQLNLQ-GOSISDBHSA-N 1 0 425.574 -1.234 20 0 IAADRO C[C@H](O)C[N@H+](C)C1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436054760 1067677844 /nfs/dbraw/zinc/67/78/44/1067677844.db2.gz SGLZEPBMTQLNLQ-SFHVURJKSA-N 1 0 425.574 -1.234 20 0 IAADRO CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000436197944 1067677886 /nfs/dbraw/zinc/67/78/86/1067677886.db2.gz LNKHDSCWZKYYHQ-MOPGFXCFSA-N 1 0 425.574 -1.234 20 0 IAADRO CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000436197946 1067678648 /nfs/dbraw/zinc/67/86/48/1067678648.db2.gz LNKHDSCWZKYYHQ-OALUTQOASA-N 1 0 425.574 -1.234 20 0 IAADRO CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000436197949 1067678447 /nfs/dbraw/zinc/67/84/47/1067678447.db2.gz LNKHDSCWZKYYHQ-RBUKOAKNSA-N 1 0 425.574 -1.234 20 0 IAADRO CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000436197950 1067678492 /nfs/dbraw/zinc/67/84/92/1067678492.db2.gz LNKHDSCWZKYYHQ-RTBURBONSA-N 1 0 425.574 -1.234 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000439163720 1067729774 /nfs/dbraw/zinc/72/97/74/1067729774.db2.gz SYUJGRGHXVSHCH-AEVYOOLXSA-N 1 0 449.512 -1.572 20 0 IAADRO Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c(C(N)=O)c1C ZINC000439569541 1067732025 /nfs/dbraw/zinc/73/20/25/1067732025.db2.gz KNIJVQYODLYZCX-UHFFFAOYSA-N 1 0 443.512 -0.762 20 0 IAADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCOCCO)CC[NH+](C)C)CC2 ZINC000439613824 1067732082 /nfs/dbraw/zinc/73/20/82/1067732082.db2.gz BIJPIWLVHMTSAA-UHFFFAOYSA-N 1 0 442.538 -1.117 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cnc2n(C)c1=O ZINC000439640547 1067732504 /nfs/dbraw/zinc/73/25/04/1067732504.db2.gz CIHSUSSLPQEAFJ-UHFFFAOYSA-N 1 0 436.469 -2.030 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000440291390 1067734993 /nfs/dbraw/zinc/73/49/93/1067734993.db2.gz LIWSOQOTYIEKRM-GFCCVEGCSA-N 1 0 425.467 -1.016 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000440291391 1067734903 /nfs/dbraw/zinc/73/49/03/1067734903.db2.gz LIWSOQOTYIEKRM-LBPRGKRZSA-N 1 0 425.467 -1.016 20 0 IAADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440478217 1067737261 /nfs/dbraw/zinc/73/72/61/1067737261.db2.gz KMDQPTCHFZPHDK-BRWVUGGUSA-N 1 0 438.506 -1.048 20 0 IAADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440478218 1067737197 /nfs/dbraw/zinc/73/71/97/1067737197.db2.gz KMDQPTCHFZPHDK-IKGGRYGDSA-N 1 0 438.506 -1.048 20 0 IAADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440478219 1067737274 /nfs/dbraw/zinc/73/72/74/1067737274.db2.gz KMDQPTCHFZPHDK-IXDOHACOSA-N 1 0 438.506 -1.048 20 0 IAADRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440478220 1067737207 /nfs/dbraw/zinc/73/72/07/1067737207.db2.gz KMDQPTCHFZPHDK-ZACQAIPSSA-N 1 0 438.506 -1.048 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@@H](O)CN1CCOCC1 ZINC000440954896 1067742358 /nfs/dbraw/zinc/74/23/58/1067742358.db2.gz IZVFURYMEIQVAG-AABGKKOBSA-N 1 0 443.589 -2.553 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@H](O)CN1CCOCC1 ZINC000440954898 1067742403 /nfs/dbraw/zinc/74/24/03/1067742403.db2.gz IZVFURYMEIQVAG-AQNXPRMDSA-N 1 0 443.589 -2.553 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@@H](O)CN1CCOCC1 ZINC000440954900 1067742265 /nfs/dbraw/zinc/74/22/65/1067742265.db2.gz IZVFURYMEIQVAG-UFYCRDLUSA-N 1 0 443.589 -2.553 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@H](O)CN1CCOCC1 ZINC000440954902 1067742320 /nfs/dbraw/zinc/74/23/20/1067742320.db2.gz IZVFURYMEIQVAG-ZCNNSNEGSA-N 1 0 443.589 -2.553 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000440975149 1067742129 /nfs/dbraw/zinc/74/21/29/1067742129.db2.gz FFWYIQGNVTXKJQ-UHFFFAOYSA-N 1 0 445.634 -1.168 20 0 IAADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCOCC1 ZINC000440982401 1067742448 /nfs/dbraw/zinc/74/24/48/1067742448.db2.gz XBBRLTQRPBWPPU-UHFFFAOYSA-N 1 0 426.514 -1.309 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1(C)C ZINC000440985646 1067742201 /nfs/dbraw/zinc/74/22/01/1067742201.db2.gz PRLXKYUQTQGFLQ-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000441064359 1067743134 /nfs/dbraw/zinc/74/31/34/1067743134.db2.gz NDQZDXSXYROMMH-UHFFFAOYSA-N 1 0 425.530 -1.390 20 0 IAADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000441833186 1067750679 /nfs/dbraw/zinc/75/06/79/1067750679.db2.gz MKDGANSYJCKOHX-UHFFFAOYSA-N 1 0 441.510 -1.560 20 0 IAADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000441987284 1067752658 /nfs/dbraw/zinc/75/26/58/1067752658.db2.gz NDQIISAUPLJRMD-HNNXBMFYSA-N 1 0 444.492 -1.007 20 0 IAADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000441987286 1067752634 /nfs/dbraw/zinc/75/26/34/1067752634.db2.gz NDQIISAUPLJRMD-OAHLLOKOSA-N 1 0 444.492 -1.007 20 0 IAADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c2)CC1 ZINC000441993911 1067753387 /nfs/dbraw/zinc/75/33/87/1067753387.db2.gz HIXQWPOCEXWCPL-KRWDZBQOSA-N 1 0 428.493 -1.458 20 0 IAADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2)CC1 ZINC000441993916 1067753347 /nfs/dbraw/zinc/75/33/47/1067753347.db2.gz HIXQWPOCEXWCPL-QGZVFWFLSA-N 1 0 428.493 -1.458 20 0 IAADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c2)CC1 ZINC000441995642 1067751592 /nfs/dbraw/zinc/75/15/92/1067751592.db2.gz BOQORUWWCZHHAN-KRWDZBQOSA-N 1 0 428.493 -1.064 20 0 IAADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2)CC1 ZINC000441995647 1067751503 /nfs/dbraw/zinc/75/15/03/1067751503.db2.gz BOQORUWWCZHHAN-QGZVFWFLSA-N 1 0 428.493 -1.064 20 0 IAADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000441999239 1067751921 /nfs/dbraw/zinc/75/19/21/1067751921.db2.gz GXIHKVXOVMQIOE-HNNXBMFYSA-N 1 0 430.465 -1.316 20 0 IAADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000441999246 1067751869 /nfs/dbraw/zinc/75/18/69/1067751869.db2.gz GXIHKVXOVMQIOE-OAHLLOKOSA-N 1 0 430.465 -1.316 20 0 IAADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cn2)CC1 ZINC000441999942 1067751848 /nfs/dbraw/zinc/75/18/48/1067751848.db2.gz JMUKXPPPTGTHSX-AWEZNQCLSA-N 1 0 430.465 -1.338 20 0 IAADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cn2)CC1 ZINC000441999951 1067751816 /nfs/dbraw/zinc/75/18/16/1067751816.db2.gz JMUKXPPPTGTHSX-CQSZACIVSA-N 1 0 430.465 -1.338 20 0 IAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000442002723 1067753432 /nfs/dbraw/zinc/75/34/32/1067753432.db2.gz PNDSADMQHXVASB-GOSISDBHSA-N 1 0 442.520 -1.068 20 0 IAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)CC1 ZINC000442002728 1067753292 /nfs/dbraw/zinc/75/32/92/1067753292.db2.gz PNDSADMQHXVASB-SFHVURJKSA-N 1 0 442.520 -1.068 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)ccc2oc1=O ZINC000442002912 1067752228 /nfs/dbraw/zinc/75/22/28/1067752228.db2.gz PGDWACKICRSQDU-CYBMUJFWSA-N 1 0 444.448 -1.736 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)ccc2oc1=O ZINC000442002913 1067752153 /nfs/dbraw/zinc/75/21/53/1067752153.db2.gz PGDWACKICRSQDU-ZDUSSCGKSA-N 1 0 444.448 -1.736 20 0 IAADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000442003457 1067752169 /nfs/dbraw/zinc/75/21/69/1067752169.db2.gz OSRNWGIMWOZTGB-HNNXBMFYSA-N 1 0 437.522 -1.060 20 0 IAADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000442003459 1067752193 /nfs/dbraw/zinc/75/21/93/1067752193.db2.gz OSRNWGIMWOZTGB-OAHLLOKOSA-N 1 0 437.522 -1.060 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)ccc2oc1=O ZINC000442049224 1067755050 /nfs/dbraw/zinc/75/50/50/1067755050.db2.gz XWMXZOSGYURISL-CYBMUJFWSA-N 1 0 430.421 -1.143 20 0 IAADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)ccc2oc1=O ZINC000442049227 1067755574 /nfs/dbraw/zinc/75/55/74/1067755574.db2.gz XWMXZOSGYURISL-ZDUSSCGKSA-N 1 0 430.421 -1.143 20 0 IAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075204 1067755752 /nfs/dbraw/zinc/75/57/52/1067755752.db2.gz FIIMESUWUNVCBM-HNNXBMFYSA-N 1 0 437.545 -1.197 20 0 IAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075207 1067755623 /nfs/dbraw/zinc/75/56/23/1067755623.db2.gz FIIMESUWUNVCBM-OAHLLOKOSA-N 1 0 437.545 -1.197 20 0 IAADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442201042 1067756096 /nfs/dbraw/zinc/75/60/96/1067756096.db2.gz NTRHISHAYUOGAL-UHFFFAOYSA-N 1 0 441.510 -1.512 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000442247357 1067756397 /nfs/dbraw/zinc/75/63/97/1067756397.db2.gz ZUSZUNVTBAPTKP-CYBMUJFWSA-N 1 0 430.465 -1.249 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000442247361 1067756432 /nfs/dbraw/zinc/75/64/32/1067756432.db2.gz ZUSZUNVTBAPTKP-ZDUSSCGKSA-N 1 0 430.465 -1.249 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cnc2n(C)c1=O ZINC000443116148 1067760865 /nfs/dbraw/zinc/76/08/65/1067760865.db2.gz PDTRZWQBMREKJX-UHFFFAOYSA-N 1 0 431.497 -1.287 20 0 IAADRO Cc1nccnc1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000443137876 1067761059 /nfs/dbraw/zinc/76/10/59/1067761059.db2.gz ZPRWZMYXZUMMBL-UHFFFAOYSA-N 1 0 443.512 -1.053 20 0 IAADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cnc21 ZINC000443271966 1067762024 /nfs/dbraw/zinc/76/20/24/1067762024.db2.gz FYFRBOJAWBSJAD-UHFFFAOYSA-N 1 0 440.526 -1.298 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443471080 1067763208 /nfs/dbraw/zinc/76/32/08/1067763208.db2.gz XXCQDUPLZCMUMC-UHFFFAOYSA-N 1 0 432.572 -1.255 20 0 IAADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000443473987 1067763259 /nfs/dbraw/zinc/76/32/59/1067763259.db2.gz HDZVKWILPRPRIZ-UHFFFAOYSA-N 1 0 447.583 -1.110 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000443481416 1067763545 /nfs/dbraw/zinc/76/35/45/1067763545.db2.gz FNWKFEOPBNQBPS-UHFFFAOYSA-N 1 0 425.559 -1.051 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443489740 1067763772 /nfs/dbraw/zinc/76/37/72/1067763772.db2.gz WVNSLQJJEYQDNI-UHFFFAOYSA-N 1 0 425.577 -1.706 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(CCS(N)(=O)=O)CC3)ccn2)CC1 ZINC000443499483 1067764016 /nfs/dbraw/zinc/76/40/16/1067764016.db2.gz HZQQNLOPLYDKNR-UHFFFAOYSA-N 1 0 425.559 -1.051 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(CCS(N)(=O)=O)CC3)cn2)CC1 ZINC000443500257 1067764191 /nfs/dbraw/zinc/76/41/91/1067764191.db2.gz LUWADRRDYCPRTJ-UHFFFAOYSA-N 1 0 425.559 -1.051 20 0 IAADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000443535982 1067764516 /nfs/dbraw/zinc/76/45/16/1067764516.db2.gz WMKFDHBIWNSYAW-UHFFFAOYSA-N 1 0 432.572 -1.255 20 0 IAADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000444595016 1067774059 /nfs/dbraw/zinc/77/40/59/1067774059.db2.gz JFPFPMYTYPQTMA-QGZVFWFLSA-N 1 0 428.493 -0.555 20 0 IAADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000444680757 1067641595 /nfs/dbraw/zinc/64/15/95/1067641595.db2.gz XQTWIIQFWNIHAJ-GOSISDBHSA-N 1 0 425.574 -1.234 20 0 IAADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000444680758 1067641533 /nfs/dbraw/zinc/64/15/33/1067641533.db2.gz XQTWIIQFWNIHAJ-SFHVURJKSA-N 1 0 425.574 -1.234 20 0 IAADRO Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C[C@H]2CO)cn1 ZINC000444748932 1067644174 /nfs/dbraw/zinc/64/41/74/1067644174.db2.gz SLSIJPIJISWEKI-OALUTQOASA-N 1 0 434.541 -1.569 20 0 IAADRO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444757544 1067645785 /nfs/dbraw/zinc/64/57/85/1067645785.db2.gz VLWMOAWBIBYHHI-GOSISDBHSA-N 1 0 425.574 -1.234 20 0 IAADRO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444757546 1067645564 /nfs/dbraw/zinc/64/55/64/1067645564.db2.gz VLWMOAWBIBYHHI-SFHVURJKSA-N 1 0 425.574 -1.234 20 0 IAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446307831 1067778517 /nfs/dbraw/zinc/77/85/17/1067778517.db2.gz NRZCONNLNBWJEO-GFCCVEGCSA-N 1 0 426.503 -1.400 20 0 IAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446307832 1067778461 /nfs/dbraw/zinc/77/84/61/1067778461.db2.gz NRZCONNLNBWJEO-LBPRGKRZSA-N 1 0 426.503 -1.400 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446717996 1067986669 /nfs/dbraw/zinc/98/66/69/1067986669.db2.gz WNXFTQUPHJBNME-UHFFFAOYSA-N 1 0 449.556 -0.834 20 0 IAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446732465 1067988864 /nfs/dbraw/zinc/98/88/64/1067988864.db2.gz RNEASKCCCHCDKL-INIZCTEOSA-N 1 0 435.529 -1.225 20 0 IAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446732466 1067981972 /nfs/dbraw/zinc/98/19/72/1067981972.db2.gz RNEASKCCCHCDKL-MRXNPFEDSA-N 1 0 435.529 -1.225 20 0 IAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446745665 1067984047 /nfs/dbraw/zinc/98/40/47/1067984047.db2.gz SRMSDHLWFHYRDF-UHFFFAOYSA-N 1 0 444.558 -0.718 20 0 IAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446804013 1067986244 /nfs/dbraw/zinc/98/62/44/1067986244.db2.gz ZDBNQIQGEYHBKQ-UHFFFAOYSA-N 1 0 430.531 -1.106 20 0 IAADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1c1nccn2cnnc12 ZINC000446824352 1067780195 /nfs/dbraw/zinc/78/01/95/1067780195.db2.gz FEZWJBRBUCVWRW-AWEZNQCLSA-N 1 0 426.485 -0.442 20 0 IAADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1c1nccn2cnnc12 ZINC000446824353 1067780298 /nfs/dbraw/zinc/78/02/98/1067780298.db2.gz FEZWJBRBUCVWRW-CQSZACIVSA-N 1 0 426.485 -0.442 20 0 IAADRO COC(=O)c1cn([C@H]2CCN(CC(O)C[N@@H+]3CC[C@H](n4cc(C(=O)OC)nn4)C3)C2)nn1 ZINC000447295694 1067781746 /nfs/dbraw/zinc/78/17/46/1067781746.db2.gz MBMWBVDQRURKOP-KBPBESRZSA-N 1 0 448.484 -1.003 20 0 IAADRO COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)C[N@@H+]3CC[C@H](n4cc(C(=O)OC)nn4)C3)C2)nn1 ZINC000447295695 1067781610 /nfs/dbraw/zinc/78/16/10/1067781610.db2.gz MBMWBVDQRURKOP-QDMKHBRRSA-N 1 0 448.484 -1.003 20 0 IAADRO COC(=O)c1cn([C@@H]2CCN(CC(O)C[N@@H+]3CC[C@@H](n4cc(C(=O)OC)nn4)C3)C2)nn1 ZINC000447295696 1067781720 /nfs/dbraw/zinc/78/17/20/1067781720.db2.gz MBMWBVDQRURKOP-ZIAGYGMSSA-N 1 0 448.484 -1.003 20 0 IAADRO COCCNc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(N[C@@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000448127019 1067784307 /nfs/dbraw/zinc/78/43/07/1067784307.db2.gz VPBZAKDTMPCIME-CHWSQXEVSA-N 1 0 430.513 -1.454 20 0 IAADRO COCCNc1nc(N[C@H]2CC(=O)N(C3CC3)C2)nc(N[C@H]2CC(=O)N(C3CC3)C2)[nH+]1 ZINC000448127020 1067784693 /nfs/dbraw/zinc/78/46/93/1067784693.db2.gz VPBZAKDTMPCIME-STQMWFEESA-N 1 0 430.513 -1.454 20 0 IAADRO Cn1c2ncn(CC(=O)NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000448273234 1067785014 /nfs/dbraw/zinc/78/50/14/1067785014.db2.gz XNWPEEKKJXHPHV-MRXNPFEDSA-N 1 0 426.477 -1.031 20 0 IAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000448284840 1067784953 /nfs/dbraw/zinc/78/49/53/1067784953.db2.gz BVHDJFDTTQWABB-OAHLLOKOSA-N 1 0 435.506 -1.073 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448483729 1067785433 /nfs/dbraw/zinc/78/54/33/1067785433.db2.gz NROYOGZTVZOSJE-UHFFFAOYSA-N 1 0 426.485 -0.591 20 0 IAADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000448488585 1067785299 /nfs/dbraw/zinc/78/52/99/1067785299.db2.gz SBPJONZJLIKBSA-UHFFFAOYSA-N 1 0 433.557 -0.606 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000448489668 1067785316 /nfs/dbraw/zinc/78/53/16/1067785316.db2.gz YYTGRWOSMPWWCM-UHFFFAOYSA-N 1 0 435.485 -2.087 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000448500436 1067785760 /nfs/dbraw/zinc/78/57/60/1067785760.db2.gz ZQIOENKHOLPCNH-UHFFFAOYSA-N 1 0 443.530 -1.896 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000448501425 1067785771 /nfs/dbraw/zinc/78/57/71/1067785771.db2.gz ONQMISWGWYEWAL-UHFFFAOYSA-N 1 0 435.510 -0.689 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000448507889 1067785970 /nfs/dbraw/zinc/78/59/70/1067785970.db2.gz MGFFZQLWFVSINM-UHFFFAOYSA-N 1 0 449.537 -0.621 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)n1 ZINC000448532978 1067785906 /nfs/dbraw/zinc/78/59/06/1067785906.db2.gz QYYHKFYNLRHKOM-UHFFFAOYSA-N 1 0 429.529 -0.498 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000460247056 1067798462 /nfs/dbraw/zinc/79/84/62/1067798462.db2.gz MDRZHJBCFGXHPO-GOSISDBHSA-N 1 0 426.543 -1.101 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000460247057 1067798598 /nfs/dbraw/zinc/79/85/98/1067798598.db2.gz MDRZHJBCFGXHPO-SFHVURJKSA-N 1 0 426.543 -1.101 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462013911 1067819607 /nfs/dbraw/zinc/81/96/07/1067819607.db2.gz GUMHKUFXHIOZKV-AWEZNQCLSA-N 1 0 428.515 -1.549 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000462013915 1067819656 /nfs/dbraw/zinc/81/96/56/1067819656.db2.gz GUMHKUFXHIOZKV-CQSZACIVSA-N 1 0 428.515 -1.549 20 0 IAADRO CNS(=O)(=O)NC1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000463196408 1067901427 /nfs/dbraw/zinc/90/14/27/1067901427.db2.gz CLZSYLZNJWBYQW-UHFFFAOYSA-N 1 0 427.593 -1.319 20 0 IAADRO CNS(=O)(=O)NC1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000463202322 1067901493 /nfs/dbraw/zinc/90/14/93/1067901493.db2.gz LILPZZDKYQNISJ-UHFFFAOYSA-N 1 0 432.591 -1.437 20 0 IAADRO CNS(=O)(=O)NC1CCN(CCC[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000463216771 1067901801 /nfs/dbraw/zinc/90/18/01/1067901801.db2.gz XOLTVGOZGQAHLZ-UHFFFAOYSA-N 1 0 426.609 -1.587 20 0 IAADRO Cn1c2c(ccn2CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000465113229 1067909096 /nfs/dbraw/zinc/90/90/96/1067909096.db2.gz RXJQQXQNRQXLJY-UHFFFAOYSA-N 1 0 430.469 -1.448 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000465952588 1067964940 /nfs/dbraw/zinc/96/49/40/1067964940.db2.gz KCEIZWHZSQTWSA-HNNXBMFYSA-N 1 0 436.513 -1.423 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000465952589 1067964889 /nfs/dbraw/zinc/96/48/89/1067964889.db2.gz KCEIZWHZSQTWSA-OAHLLOKOSA-N 1 0 436.513 -1.423 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000466151539 1067967921 /nfs/dbraw/zinc/96/79/21/1067967921.db2.gz WZCKDPBBGLNKIS-GOSISDBHSA-N 1 0 438.573 -1.027 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000466151540 1067967833 /nfs/dbraw/zinc/96/78/33/1067967833.db2.gz WZCKDPBBGLNKIS-SFHVURJKSA-N 1 0 438.573 -1.027 20 0 IAADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152038 1067967445 /nfs/dbraw/zinc/96/74/45/1067967445.db2.gz XQHATBKGJJCHHP-GOSISDBHSA-N 1 0 445.634 -1.311 20 0 IAADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152039 1067967589 /nfs/dbraw/zinc/96/75/89/1067967589.db2.gz XQHATBKGJJCHHP-SFHVURJKSA-N 1 0 445.634 -1.311 20 0 IAADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152382 1067967566 /nfs/dbraw/zinc/96/75/66/1067967566.db2.gz YMFFROAVBLESQU-KRWDZBQOSA-N 1 0 432.591 -1.226 20 0 IAADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152383 1067967508 /nfs/dbraw/zinc/96/75/08/1067967508.db2.gz YMFFROAVBLESQU-QGZVFWFLSA-N 1 0 432.591 -1.226 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466772968 1068145107 /nfs/dbraw/zinc/14/51/07/1068145107.db2.gz AKRCIWBYECZZSC-INIZCTEOSA-N 1 0 436.561 -1.068 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466772972 1068145047 /nfs/dbraw/zinc/14/50/47/1068145047.db2.gz AKRCIWBYECZZSC-MRXNPFEDSA-N 1 0 436.561 -1.068 20 0 IAADRO CC(C)[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCN(C)CC1 ZINC000466982054 1068154717 /nfs/dbraw/zinc/15/47/17/1068154717.db2.gz BRQCSAINLNDGSJ-INIZCTEOSA-N 1 0 436.561 -1.070 20 0 IAADRO CC(C)[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCN(C)CC1 ZINC000466982057 1068154637 /nfs/dbraw/zinc/15/46/37/1068154637.db2.gz BRQCSAINLNDGSJ-MRXNPFEDSA-N 1 0 436.561 -1.070 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC000467007220 1068154621 /nfs/dbraw/zinc/15/46/21/1068154621.db2.gz QQRXEUBDGVWIRM-AWEZNQCLSA-N 1 0 436.517 -1.754 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000467007221 1068154809 /nfs/dbraw/zinc/15/48/09/1068154809.db2.gz QQRXEUBDGVWIRM-CQSZACIVSA-N 1 0 436.517 -1.754 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000467044756 1068155282 /nfs/dbraw/zinc/15/52/82/1068155282.db2.gz JTEUARYKGUJKGJ-CVEARBPZSA-N 1 0 447.540 -1.192 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000467044757 1068155462 /nfs/dbraw/zinc/15/54/62/1068155462.db2.gz JTEUARYKGUJKGJ-HOTGVXAUSA-N 1 0 447.540 -1.192 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000467044758 1068155256 /nfs/dbraw/zinc/15/52/56/1068155256.db2.gz JTEUARYKGUJKGJ-HZPDHXFCSA-N 1 0 447.540 -1.192 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000467044759 1068155349 /nfs/dbraw/zinc/15/53/49/1068155349.db2.gz JTEUARYKGUJKGJ-JKSUJKDBSA-N 1 0 447.540 -1.192 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccnc(N3CC[NH+](C)CC3)c1)C2 ZINC000467064553 1068156151 /nfs/dbraw/zinc/15/61/51/1068156151.db2.gz NXSYCYNUIPVYNN-UHFFFAOYSA-N 1 0 428.497 -1.064 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccn(-c3cc[nH+]cc3)n1)C2 ZINC000467141847 1068157563 /nfs/dbraw/zinc/15/75/63/1068157563.db2.gz ZSKLNXJLMWSCLX-UHFFFAOYSA-N 1 0 439.436 -1.305 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467300720 1068159601 /nfs/dbraw/zinc/15/96/01/1068159601.db2.gz HAAQPWPIPQOUSK-INIZCTEOSA-N 1 0 437.545 -1.578 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467300721 1068159384 /nfs/dbraw/zinc/15/93/84/1068159384.db2.gz HAAQPWPIPQOUSK-MRXNPFEDSA-N 1 0 437.545 -1.578 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cn1C ZINC000467633134 1067918920 /nfs/dbraw/zinc/91/89/20/1067918920.db2.gz AKXQVKAFUPELJR-AWEZNQCLSA-N 1 0 435.572 -1.026 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cn1C ZINC000467633135 1067918823 /nfs/dbraw/zinc/91/88/23/1067918823.db2.gz AKXQVKAFUPELJR-CQSZACIVSA-N 1 0 435.572 -1.026 20 0 IAADRO CNc1nc(NCCN2CCCS2(=O)=O)nc(NCCN2CCCS2(=O)=O)[nH+]1 ZINC000467797969 1068162907 /nfs/dbraw/zinc/16/29/07/1068162907.db2.gz WOICMSQKCGZDTE-UHFFFAOYSA-N 1 0 434.548 -2.926 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cn2)CC1 ZINC000468257788 1068164875 /nfs/dbraw/zinc/16/48/75/1068164875.db2.gz WJISLJSOZGPEIB-UHFFFAOYSA-N 1 0 435.510 -1.145 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)ccn2)CC1 ZINC000468403953 1068165994 /nfs/dbraw/zinc/16/59/94/1068165994.db2.gz SUXGQDMERMVLTE-UHFFFAOYSA-N 1 0 435.510 -1.145 20 0 IAADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)O1 ZINC000468436357 1067983158 /nfs/dbraw/zinc/98/31/58/1067983158.db2.gz DXXZATGJYKEFFF-HOTGVXAUSA-N 1 0 436.513 -0.704 20 0 IAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)O1 ZINC000468436358 1067981309 /nfs/dbraw/zinc/98/13/09/1067981309.db2.gz DXXZATGJYKEFFF-HZPDHXFCSA-N 1 0 436.513 -0.704 20 0 IAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)O1 ZINC000468436359 1067981535 /nfs/dbraw/zinc/98/15/35/1067981535.db2.gz DXXZATGJYKEFFF-IYBDPMFKSA-N 1 0 436.513 -0.704 20 0 IAADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1)N1CCOCC1 ZINC000468436761 1068166607 /nfs/dbraw/zinc/16/66/07/1068166607.db2.gz QSMSWJZJGWOPEH-UHFFFAOYSA-N 1 0 448.524 -0.749 20 0 IAADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1)N1CCOCC1 ZINC000468452383 1068166651 /nfs/dbraw/zinc/16/66/51/1068166651.db2.gz VMCUARORKFTBBO-UHFFFAOYSA-N 1 0 447.540 -1.080 20 0 IAADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1=O ZINC000468458507 1068167139 /nfs/dbraw/zinc/16/71/39/1068167139.db2.gz MPKUMPZTHQEVLZ-CYBMUJFWSA-N 1 0 441.510 -1.379 20 0 IAADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1=O ZINC000468458514 1068167189 /nfs/dbraw/zinc/16/71/89/1068167189.db2.gz MPKUMPZTHQEVLZ-ZDUSSCGKSA-N 1 0 441.510 -1.379 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468464196 1068167076 /nfs/dbraw/zinc/16/70/76/1068167076.db2.gz WOFWHSSQMDLQAS-INIZCTEOSA-N 1 0 436.513 -0.847 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468464197 1067983735 /nfs/dbraw/zinc/98/37/35/1067983735.db2.gz WOFWHSSQMDLQAS-MRXNPFEDSA-N 1 0 436.513 -0.847 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000468483366 1068167018 /nfs/dbraw/zinc/16/70/18/1068167018.db2.gz KKMPIOMGYWWZMN-BBWFWOEESA-N 1 0 445.586 -1.105 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@@H](C)O1 ZINC000468483367 1068167231 /nfs/dbraw/zinc/16/72/31/1068167231.db2.gz KKMPIOMGYWWZMN-BRWVUGGUSA-N 1 0 445.586 -1.105 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000468483368 1068167164 /nfs/dbraw/zinc/16/71/64/1068167164.db2.gz KKMPIOMGYWWZMN-IXDOHACOSA-N 1 0 445.586 -1.105 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@@H](C)O1 ZINC000468483369 1068167293 /nfs/dbraw/zinc/16/72/93/1068167293.db2.gz KKMPIOMGYWWZMN-ZACQAIPSSA-N 1 0 445.586 -1.105 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468487483 1068167840 /nfs/dbraw/zinc/16/78/40/1068167840.db2.gz MDAPRHFZIOAUDX-AWEZNQCLSA-N 1 0 437.522 -1.081 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000468487484 1068167806 /nfs/dbraw/zinc/16/78/06/1068167806.db2.gz MDAPRHFZIOAUDX-CQSZACIVSA-N 1 0 437.522 -1.081 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000468488499 1068167927 /nfs/dbraw/zinc/16/79/27/1068167927.db2.gz QLDOZYOPLPIXBN-INIZCTEOSA-N 1 0 430.575 -1.967 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000468488505 1068167857 /nfs/dbraw/zinc/16/78/57/1068167857.db2.gz QLDOZYOPLPIXBN-MRXNPFEDSA-N 1 0 430.575 -1.967 20 0 IAADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000468490095 1068167778 /nfs/dbraw/zinc/16/77/78/1068167778.db2.gz VJIABPKQGDANCA-UHFFFAOYSA-N 1 0 445.567 -1.105 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000468739875 1068170775 /nfs/dbraw/zinc/17/07/75/1068170775.db2.gz NHWXNOMBZRZYTL-UHFFFAOYSA-N 1 0 435.510 -1.145 20 0 IAADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468775969 1067984910 /nfs/dbraw/zinc/98/49/10/1067984910.db2.gz AWFJELOKXJDBMU-INIZCTEOSA-N 1 0 436.513 -1.111 20 0 IAADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468778984 1067985151 /nfs/dbraw/zinc/98/51/51/1067985151.db2.gz AWFJELOKXJDBMU-MRXNPFEDSA-N 1 0 436.513 -1.111 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000468820816 1068171420 /nfs/dbraw/zinc/17/14/20/1068171420.db2.gz DHRHDWDFHNWTDH-UHFFFAOYSA-N 1 0 431.559 -1.413 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000468829255 1068171311 /nfs/dbraw/zinc/17/13/11/1068171311.db2.gz DZBARJSPZOBTRU-UHFFFAOYSA-N 1 0 429.499 -1.331 20 0 IAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c[nH]1 ZINC000469010228 1068172249 /nfs/dbraw/zinc/17/22/49/1068172249.db2.gz ODUJWXFWOUGBPA-UHFFFAOYSA-N 1 0 426.499 -1.842 20 0 IAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000469116854 1068172136 /nfs/dbraw/zinc/17/21/36/1068172136.db2.gz ZQMABWNXTXAVJG-UHFFFAOYSA-N 1 0 427.483 -1.577 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000469122644 1068172086 /nfs/dbraw/zinc/17/20/86/1068172086.db2.gz ZDAPVYJYDILQQC-UHFFFAOYSA-N 1 0 428.515 -1.596 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CC1=O ZINC000469148504 1068173055 /nfs/dbraw/zinc/17/30/55/1068173055.db2.gz VGDABQXCNHMTDC-CABCVRRESA-N 1 0 439.542 -1.030 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CC1=O ZINC000469148694 1068173043 /nfs/dbraw/zinc/17/30/43/1068173043.db2.gz VGDABQXCNHMTDC-GJZGRUSLSA-N 1 0 439.542 -1.030 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CC1=O ZINC000469148789 1068172973 /nfs/dbraw/zinc/17/29/73/1068172973.db2.gz VGDABQXCNHMTDC-HUUCEWRRSA-N 1 0 439.542 -1.030 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CC1=O ZINC000469148906 1068172939 /nfs/dbraw/zinc/17/29/39/1068172939.db2.gz VGDABQXCNHMTDC-LSDHHAIUSA-N 1 0 439.542 -1.030 20 0 IAADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1)N1CCOCC1 ZINC000469192447 1068172887 /nfs/dbraw/zinc/17/28/87/1068172887.db2.gz IDTGHSFLEVLMEM-UHFFFAOYSA-N 1 0 448.524 -0.749 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469196617 1068173023 /nfs/dbraw/zinc/17/30/23/1068173023.db2.gz WFJUCMGFWDJNDC-UHFFFAOYSA-N 1 0 433.575 -1.167 20 0 IAADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469340784 1067981792 /nfs/dbraw/zinc/98/17/92/1067981792.db2.gz VEIBSTBXWODRMJ-INIZCTEOSA-N 1 0 436.513 -0.750 20 0 IAADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469340791 1068173493 /nfs/dbraw/zinc/17/34/93/1068173493.db2.gz VEIBSTBXWODRMJ-MRXNPFEDSA-N 1 0 436.513 -0.750 20 0 IAADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1)N1CCOCC1 ZINC000469351443 1068173363 /nfs/dbraw/zinc/17/33/63/1068173363.db2.gz RWHWOAGDCBUBPZ-KRWDZBQOSA-N 1 0 448.524 -0.749 20 0 IAADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1)N1CCOCC1 ZINC000469351452 1068173689 /nfs/dbraw/zinc/17/36/89/1068173689.db2.gz RWHWOAGDCBUBPZ-QGZVFWFLSA-N 1 0 448.524 -0.749 20 0 IAADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000469447673 1067668893 /nfs/dbraw/zinc/66/88/93/1067668893.db2.gz FIKQAZPPPIYCSG-UHFFFAOYSA-N 1 0 445.586 -1.655 20 0 IAADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000469534719 1068175027 /nfs/dbraw/zinc/17/50/27/1068175027.db2.gz DHAKOZLHLLKVNW-CVEARBPZSA-N 1 0 443.570 -2.156 20 0 IAADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000469534720 1068175058 /nfs/dbraw/zinc/17/50/58/1068175058.db2.gz DHAKOZLHLLKVNW-HOTGVXAUSA-N 1 0 443.570 -2.156 20 0 IAADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000469534721 1068175016 /nfs/dbraw/zinc/17/50/16/1068175016.db2.gz DHAKOZLHLLKVNW-HZPDHXFCSA-N 1 0 443.570 -2.156 20 0 IAADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000469534722 1068174970 /nfs/dbraw/zinc/17/49/70/1068174970.db2.gz DHAKOZLHLLKVNW-JKSUJKDBSA-N 1 0 443.570 -2.156 20 0 IAADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O ZINC000469550527 1068175549 /nfs/dbraw/zinc/17/55/49/1068175549.db2.gz WQVHYOSLIXRPEN-HNNXBMFYSA-N 1 0 431.559 -1.446 20 0 IAADRO C[NH+](C)CCN1C[C@H](C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O ZINC000469550528 1068175771 /nfs/dbraw/zinc/17/57/71/1068175771.db2.gz WQVHYOSLIXRPEN-OAHLLOKOSA-N 1 0 431.559 -1.446 20 0 IAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000469626468 1068175795 /nfs/dbraw/zinc/17/57/95/1068175795.db2.gz ZLTIWJWOJLDFOX-UHFFFAOYSA-N 1 0 441.554 -1.008 20 0 IAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000469636224 1068175686 /nfs/dbraw/zinc/17/56/86/1068175686.db2.gz XNXAQKJTEKMDFM-UHFFFAOYSA-N 1 0 441.510 -1.824 20 0 IAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000469645368 1068175574 /nfs/dbraw/zinc/17/55/74/1068175574.db2.gz QWQCPWRNROWISG-UHFFFAOYSA-N 1 0 441.554 -1.008 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC000469893375 1068176894 /nfs/dbraw/zinc/17/68/94/1068176894.db2.gz OALWDIXJYCPVQH-UHFFFAOYSA-N 1 0 428.497 -1.064 20 0 IAADRO COCCN1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC000471096348 1068183270 /nfs/dbraw/zinc/18/32/70/1068183270.db2.gz UFZYHSIAQOZEBU-UHFFFAOYSA-N 1 0 437.501 -1.793 20 0 IAADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000472913133 1067666537 /nfs/dbraw/zinc/66/65/37/1067666537.db2.gz IZQVMUAQMOLFDM-KRWDZBQOSA-N 1 0 432.591 -1.083 20 0 IAADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000472913134 1067666495 /nfs/dbraw/zinc/66/64/95/1067666495.db2.gz IZQVMUAQMOLFDM-QGZVFWFLSA-N 1 0 432.591 -1.083 20 0 IAADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000472926904 1067666478 /nfs/dbraw/zinc/66/64/78/1067666478.db2.gz OSYFYMSBOVMRLB-GOSISDBHSA-N 1 0 445.634 -1.168 20 0 IAADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000472926908 1067666277 /nfs/dbraw/zinc/66/62/77/1067666277.db2.gz OSYFYMSBOVMRLB-SFHVURJKSA-N 1 0 445.634 -1.168 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000473043680 1067959284 /nfs/dbraw/zinc/95/92/84/1067959284.db2.gz FICUKKIYAVVTEK-UHFFFAOYSA-N 1 0 438.573 -1.915 20 0 IAADRO CNS(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)NC)C[C@H]1C(=O)N(C)C ZINC000474291534 1067765603 /nfs/dbraw/zinc/76/56/03/1067765603.db2.gz KZCRIEVGXGCPGR-AWEZNQCLSA-N 1 0 427.593 -2.061 20 0 IAADRO CNS(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)NC)C[C@@H]1C(=O)N(C)C ZINC000474291536 1067765881 /nfs/dbraw/zinc/76/58/81/1067765881.db2.gz KZCRIEVGXGCPGR-CQSZACIVSA-N 1 0 427.593 -2.061 20 0 IAADRO CN(C)C(=O)[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000474293373 1067765636 /nfs/dbraw/zinc/76/56/36/1067765636.db2.gz RLFCRUBTMARTMU-GOSISDBHSA-N 1 0 439.557 -1.441 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000474293384 1067765663 /nfs/dbraw/zinc/76/56/63/1067765663.db2.gz RLFCRUBTMARTMU-SFHVURJKSA-N 1 0 439.557 -1.441 20 0 IAADRO O=C(Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1)N1CCOCC1 ZINC000475172172 1067770548 /nfs/dbraw/zinc/77/05/48/1067770548.db2.gz GTCJJVDWXMXUDW-UHFFFAOYSA-N 1 0 447.540 -1.080 20 0 IAADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000475176220 1067770852 /nfs/dbraw/zinc/77/08/52/1067770852.db2.gz SXJNHPIGMLOQBQ-UHFFFAOYSA-N 1 0 435.529 -1.176 20 0 IAADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000475263834 1067771281 /nfs/dbraw/zinc/77/12/81/1067771281.db2.gz VKFDQEIDIGEYOM-UHFFFAOYSA-N 1 0 449.512 -1.649 20 0 IAADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475264510 1067771297 /nfs/dbraw/zinc/77/12/97/1067771297.db2.gz KSBBXWIUYMRDMS-KRWDZBQOSA-N 1 0 436.513 -1.111 20 0 IAADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475264515 1067771209 /nfs/dbraw/zinc/77/12/09/1067771209.db2.gz KSBBXWIUYMRDMS-QGZVFWFLSA-N 1 0 436.513 -1.111 20 0 IAADRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475321182 1067963074 /nfs/dbraw/zinc/96/30/74/1067963074.db2.gz XICAEFOALJQEQX-RBUKOAKNSA-N 1 0 449.556 -1.153 20 0 IAADRO COCCC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000475438489 1067771528 /nfs/dbraw/zinc/77/15/28/1067771528.db2.gz OIUJGUYDVQAXIX-UHFFFAOYSA-N 1 0 437.501 -1.793 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](O)C[N@@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000476433217 1067800448 /nfs/dbraw/zinc/80/04/48/1067800448.db2.gz GZOUPWOXLFOEHA-MRXNPFEDSA-N 1 0 426.477 -1.031 20 0 IAADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000476544898 1067802849 /nfs/dbraw/zinc/80/28/49/1067802849.db2.gz KQXWVYDCIITZTQ-DOMZBBRYSA-N 1 0 425.511 -1.092 20 0 IAADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000476544900 1067802645 /nfs/dbraw/zinc/80/26/45/1067802645.db2.gz KQXWVYDCIITZTQ-IUODEOHRSA-N 1 0 425.511 -1.092 20 0 IAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000476544902 1067802758 /nfs/dbraw/zinc/80/27/58/1067802758.db2.gz KQXWVYDCIITZTQ-SWLSCSKDSA-N 1 0 425.511 -1.092 20 0 IAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000476544905 1067802712 /nfs/dbraw/zinc/80/27/12/1067802712.db2.gz KQXWVYDCIITZTQ-WFASDCNBSA-N 1 0 425.511 -1.092 20 0 IAADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000476745493 1067806239 /nfs/dbraw/zinc/80/62/39/1067806239.db2.gz LUNUHCYIQKVBAX-CYBMUJFWSA-N 1 0 425.511 -1.315 20 0 IAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000476745497 1067806276 /nfs/dbraw/zinc/80/62/76/1067806276.db2.gz LUNUHCYIQKVBAX-ZDUSSCGKSA-N 1 0 425.511 -1.315 20 0 IAADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000477111996 1067985621 /nfs/dbraw/zinc/98/56/21/1067985621.db2.gz ZJVVWOZHYWMMKA-INIZCTEOSA-N 1 0 432.591 -1.531 20 0 IAADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000477112000 1067985777 /nfs/dbraw/zinc/98/57/77/1067985777.db2.gz ZJVVWOZHYWMMKA-MRXNPFEDSA-N 1 0 432.591 -1.531 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000477131274 1067810423 /nfs/dbraw/zinc/81/04/23/1067810423.db2.gz DVRYWRGGQBPTSE-KRWDZBQOSA-N 1 0 432.591 -1.083 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000477131275 1067810263 /nfs/dbraw/zinc/81/02/63/1067810263.db2.gz DVRYWRGGQBPTSE-QGZVFWFLSA-N 1 0 432.591 -1.083 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000477629678 1067813517 /nfs/dbraw/zinc/81/35/17/1067813517.db2.gz ZPQDRSWTVOZSNI-UHFFFAOYSA-N 1 0 439.513 -2.257 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000477648762 1067814214 /nfs/dbraw/zinc/81/42/14/1067814214.db2.gz BJELSZQHDGDTLR-UHFFFAOYSA-N 1 0 447.540 -1.142 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000477653711 1067814127 /nfs/dbraw/zinc/81/41/27/1067814127.db2.gz RBPUULKLEFCRSX-KRWDZBQOSA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000477653712 1067813898 /nfs/dbraw/zinc/81/38/98/1067813898.db2.gz RBPUULKLEFCRSX-QGZVFWFLSA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000477671269 1067814403 /nfs/dbraw/zinc/81/44/03/1067814403.db2.gz DEPBUWUNWVGGKO-UHFFFAOYSA-N 1 0 425.530 -1.784 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000477673022 1067814377 /nfs/dbraw/zinc/81/43/77/1067814377.db2.gz BUHJFMKCCSMCLQ-KRWDZBQOSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000477673027 1067813754 /nfs/dbraw/zinc/81/37/54/1067813754.db2.gz BUHJFMKCCSMCLQ-QGZVFWFLSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000477676139 1067814175 /nfs/dbraw/zinc/81/41/75/1067814175.db2.gz KBICNIOBMPQJCV-UHFFFAOYSA-N 1 0 443.526 -1.124 20 0 IAADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000477684078 1067813980 /nfs/dbraw/zinc/81/39/80/1067813980.db2.gz VGQVOZWZROTKGS-UHFFFAOYSA-N 1 0 425.530 -1.784 20 0 IAADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000477700687 1067814195 /nfs/dbraw/zinc/81/41/95/1067814195.db2.gz KBJAKCUPRFOANA-UHFFFAOYSA-N 1 0 437.541 -1.246 20 0 IAADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000477752014 1067814165 /nfs/dbraw/zinc/81/41/65/1067814165.db2.gz ZPDVIHGRSZVQEX-UHFFFAOYSA-N 1 0 435.529 -1.287 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478728696 1067827767 /nfs/dbraw/zinc/82/77/67/1067827767.db2.gz QJECLNBLJPHGCO-KRWDZBQOSA-N 1 0 431.493 -1.068 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478728697 1067827985 /nfs/dbraw/zinc/82/79/85/1067827985.db2.gz QJECLNBLJPHGCO-QGZVFWFLSA-N 1 0 431.493 -1.068 20 0 IAADRO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000478770218 1067828008 /nfs/dbraw/zinc/82/80/08/1067828008.db2.gz AMQOXRJEYZKDRV-UHFFFAOYSA-N 1 0 431.493 -1.067 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)C2 ZINC000479013882 1067830749 /nfs/dbraw/zinc/83/07/49/1067830749.db2.gz DQGWCFKVVZRTNA-UHFFFAOYSA-N 1 0 443.508 -1.277 20 0 IAADRO C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000479102202 1067832242 /nfs/dbraw/zinc/83/22/42/1067832242.db2.gz TZIRKSPGUIIHNO-UHFFFAOYSA-N 1 0 445.520 -1.236 20 0 IAADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C ZINC000479912962 1067837241 /nfs/dbraw/zinc/83/72/41/1067837241.db2.gz HADMZDNWHAYWPK-INIZCTEOSA-N 1 0 439.557 -1.001 20 0 IAADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C ZINC000479912975 1067837330 /nfs/dbraw/zinc/83/73/30/1067837330.db2.gz HADMZDNWHAYWPK-MRXNPFEDSA-N 1 0 439.557 -1.001 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000479932088 1067837709 /nfs/dbraw/zinc/83/77/09/1067837709.db2.gz YXEBMJSROBJKOD-AWEZNQCLSA-N 1 0 437.545 -1.042 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2 ZINC000479932099 1067837677 /nfs/dbraw/zinc/83/76/77/1067837677.db2.gz YXEBMJSROBJKOD-CQSZACIVSA-N 1 0 437.545 -1.042 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000480539556 1067842111 /nfs/dbraw/zinc/84/21/11/1067842111.db2.gz VPOSOYADRITKJA-CVEARBPZSA-N 1 0 449.599 -1.162 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000480539557 1067842290 /nfs/dbraw/zinc/84/22/90/1067842290.db2.gz VPOSOYADRITKJA-HOTGVXAUSA-N 1 0 449.599 -1.162 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000480539558 1067842038 /nfs/dbraw/zinc/84/20/38/1067842038.db2.gz VPOSOYADRITKJA-HZPDHXFCSA-N 1 0 449.599 -1.162 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000480539559 1067842198 /nfs/dbraw/zinc/84/21/98/1067842198.db2.gz VPOSOYADRITKJA-JKSUJKDBSA-N 1 0 449.599 -1.162 20 0 IAADRO CNc1nc(NCC2(S(C)(=O)=O)CCC2)nc(NCC2(S(C)(=O)=O)CCC2)[nH+]1 ZINC000480708727 1067843529 /nfs/dbraw/zinc/84/35/29/1067843529.db2.gz SYBSWBPOOBZQNB-UHFFFAOYSA-N 1 0 432.572 -1.063 20 0 IAADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cnc21 ZINC000480867667 1067844206 /nfs/dbraw/zinc/84/42/06/1067844206.db2.gz BQRQHXJGXYANRT-AWEZNQCLSA-N 1 0 436.494 -1.039 20 0 IAADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cnc21 ZINC000480867668 1067844001 /nfs/dbraw/zinc/84/40/01/1067844001.db2.gz BQRQHXJGXYANRT-CQSZACIVSA-N 1 0 436.494 -1.039 20 0 IAADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000480903181 1067844237 /nfs/dbraw/zinc/84/42/37/1067844237.db2.gz VNGKHSAVCZVFGI-BZUAXINKSA-N 1 0 449.556 -1.042 20 0 IAADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000480903182 1067844150 /nfs/dbraw/zinc/84/41/50/1067844150.db2.gz VNGKHSAVCZVFGI-OAGGEKHMSA-N 1 0 449.556 -1.042 20 0 IAADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000480903183 1067843951 /nfs/dbraw/zinc/84/39/51/1067843951.db2.gz VNGKHSAVCZVFGI-OWCLPIDISA-N 1 0 449.556 -1.042 20 0 IAADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000480903184 1067844515 /nfs/dbraw/zinc/84/45/15/1067844515.db2.gz VNGKHSAVCZVFGI-XHSDSOJGSA-N 1 0 449.556 -1.042 20 0 IAADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481104484 1067845185 /nfs/dbraw/zinc/84/51/85/1067845185.db2.gz KQVKTBNTOHTJBW-DLBZAZTESA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481104489 1067845203 /nfs/dbraw/zinc/84/52/03/1067845203.db2.gz KQVKTBNTOHTJBW-IAGOWNOFSA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481104490 1067845229 /nfs/dbraw/zinc/84/52/29/1067845229.db2.gz KQVKTBNTOHTJBW-IRXDYDNUSA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481104491 1067844990 /nfs/dbraw/zinc/84/49/90/1067844990.db2.gz KQVKTBNTOHTJBW-SJORKVTESA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000481278762 1067845689 /nfs/dbraw/zinc/84/56/89/1067845689.db2.gz GNHCLCMZVDLCOH-CABCVRRESA-N 1 0 435.529 -1.288 20 0 IAADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000481278774 1067845708 /nfs/dbraw/zinc/84/57/08/1067845708.db2.gz GNHCLCMZVDLCOH-GJZGRUSLSA-N 1 0 435.529 -1.288 20 0 IAADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000481278778 1067845621 /nfs/dbraw/zinc/84/56/21/1067845621.db2.gz GNHCLCMZVDLCOH-HUUCEWRRSA-N 1 0 435.529 -1.288 20 0 IAADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000481278781 1067846037 /nfs/dbraw/zinc/84/60/37/1067846037.db2.gz GNHCLCMZVDLCOH-LSDHHAIUSA-N 1 0 435.529 -1.288 20 0 IAADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000481468983 1067847458 /nfs/dbraw/zinc/84/74/58/1067847458.db2.gz AUNKHQCABZKYBX-INIZCTEOSA-N 1 0 441.554 -1.010 20 0 IAADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000481468985 1067847650 /nfs/dbraw/zinc/84/76/50/1067847650.db2.gz AUNKHQCABZKYBX-MRXNPFEDSA-N 1 0 441.554 -1.010 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000483420813 1067853382 /nfs/dbraw/zinc/85/33/82/1067853382.db2.gz SHNLRUBFBKJTEN-DLBZAZTESA-N 1 0 444.602 -1.388 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000483420820 1067853721 /nfs/dbraw/zinc/85/37/21/1067853721.db2.gz SHNLRUBFBKJTEN-IAGOWNOFSA-N 1 0 444.602 -1.388 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000483420822 1067853579 /nfs/dbraw/zinc/85/35/79/1067853579.db2.gz SHNLRUBFBKJTEN-IRXDYDNUSA-N 1 0 444.602 -1.388 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000483420824 1067853734 /nfs/dbraw/zinc/85/37/34/1067853734.db2.gz SHNLRUBFBKJTEN-SJORKVTESA-N 1 0 444.602 -1.388 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483472741 1067853507 /nfs/dbraw/zinc/85/35/07/1067853507.db2.gz BWVXUPQYSSMLSS-DLBZAZTESA-N 1 0 430.571 -1.113 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483472744 1067853761 /nfs/dbraw/zinc/85/37/61/1067853761.db2.gz BWVXUPQYSSMLSS-IAGOWNOFSA-N 1 0 430.571 -1.113 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483472746 1067853397 /nfs/dbraw/zinc/85/33/97/1067853397.db2.gz BWVXUPQYSSMLSS-IRXDYDNUSA-N 1 0 430.571 -1.113 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483472748 1067853681 /nfs/dbraw/zinc/85/36/81/1067853681.db2.gz BWVXUPQYSSMLSS-SJORKVTESA-N 1 0 430.571 -1.113 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483477613 1067853339 /nfs/dbraw/zinc/85/33/39/1067853339.db2.gz BKHJIZKCDJFKGT-MSOLQXFVSA-N 1 0 441.598 -1.444 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483477703 1067853632 /nfs/dbraw/zinc/85/36/32/1067853632.db2.gz BKHJIZKCDJFKGT-QZTJIDSGSA-N 1 0 441.598 -1.444 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483477707 1067853462 /nfs/dbraw/zinc/85/34/62/1067853462.db2.gz BKHJIZKCDJFKGT-ROUUACIJSA-N 1 0 441.598 -1.444 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483477709 1067853613 /nfs/dbraw/zinc/85/36/13/1067853613.db2.gz BKHJIZKCDJFKGT-ZWKOTPCHSA-N 1 0 441.598 -1.444 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000483911021 1067853997 /nfs/dbraw/zinc/85/39/97/1067853997.db2.gz ANDSWLNVRIEGJK-ARFHVFGLSA-N 1 0 426.539 -1.213 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000483911022 1067854137 /nfs/dbraw/zinc/85/41/37/1067854137.db2.gz ANDSWLNVRIEGJK-BZUAXINKSA-N 1 0 426.539 -1.213 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000483911023 1067854320 /nfs/dbraw/zinc/85/43/20/1067854320.db2.gz ANDSWLNVRIEGJK-HRCADAONSA-N 1 0 426.539 -1.213 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000483911024 1067854278 /nfs/dbraw/zinc/85/42/78/1067854278.db2.gz ANDSWLNVRIEGJK-OWCLPIDISA-N 1 0 426.539 -1.213 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000483920280 1067854225 /nfs/dbraw/zinc/85/42/25/1067854225.db2.gz IVGDOFJNLYOTSY-AWEZNQCLSA-N 1 0 431.497 -1.411 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000483920296 1067854081 /nfs/dbraw/zinc/85/40/81/1067854081.db2.gz IVGDOFJNLYOTSY-CQSZACIVSA-N 1 0 431.497 -1.411 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000483930019 1067854527 /nfs/dbraw/zinc/85/45/27/1067854527.db2.gz QQIXEMZCAOHKNH-GFCCVEGCSA-N 1 0 427.483 -1.578 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000483930024 1067854846 /nfs/dbraw/zinc/85/48/46/1067854846.db2.gz QQIXEMZCAOHKNH-LBPRGKRZSA-N 1 0 427.483 -1.578 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000484098907 1067854807 /nfs/dbraw/zinc/85/48/07/1067854807.db2.gz YEPSPESBQGQEOW-AWEZNQCLSA-N 1 0 426.499 -1.843 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000484098910 1067854749 /nfs/dbraw/zinc/85/47/49/1067854749.db2.gz YEPSPESBQGQEOW-CQSZACIVSA-N 1 0 426.499 -1.843 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000484113617 1067854782 /nfs/dbraw/zinc/85/47/82/1067854782.db2.gz LEYKZEOFPHPORP-HNNXBMFYSA-N 1 0 431.559 -1.415 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000484113618 1067854672 /nfs/dbraw/zinc/85/46/72/1067854672.db2.gz LEYKZEOFPHPORP-OAHLLOKOSA-N 1 0 431.559 -1.415 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000484363229 1067855402 /nfs/dbraw/zinc/85/54/02/1067855402.db2.gz DJUMQGHBZKKYGC-INIZCTEOSA-N 1 0 443.508 -1.279 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000484363230 1067855366 /nfs/dbraw/zinc/85/53/66/1067855366.db2.gz DJUMQGHBZKKYGC-MRXNPFEDSA-N 1 0 443.508 -1.279 20 0 IAADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000484370500 1067855293 /nfs/dbraw/zinc/85/52/93/1067855293.db2.gz HHMCGLZYYKWOSY-INIZCTEOSA-N 1 0 449.512 -1.651 20 0 IAADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000484370505 1067855499 /nfs/dbraw/zinc/85/54/99/1067855499.db2.gz HHMCGLZYYKWOSY-MRXNPFEDSA-N 1 0 449.512 -1.651 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000484405718 1067855332 /nfs/dbraw/zinc/85/53/32/1067855332.db2.gz FXDCWPWWJPAJRB-INIZCTEOSA-N 1 0 444.492 -1.395 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000484405719 1067855465 /nfs/dbraw/zinc/85/54/65/1067855465.db2.gz FXDCWPWWJPAJRB-MRXNPFEDSA-N 1 0 444.492 -1.395 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cn1C ZINC000484841010 1067856411 /nfs/dbraw/zinc/85/64/11/1067856411.db2.gz YHCGTOIGLPKKOK-HNNXBMFYSA-N 1 0 426.543 -1.028 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)cn1C ZINC000484841011 1067856339 /nfs/dbraw/zinc/85/63/39/1067856339.db2.gz YHCGTOIGLPKKOK-OAHLLOKOSA-N 1 0 426.543 -1.028 20 0 IAADRO C[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C1CC1 ZINC000485510905 1067858370 /nfs/dbraw/zinc/85/83/70/1067858370.db2.gz WNMZJONXOLNTMI-UHFFFAOYSA-N 1 0 427.483 -1.578 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000485536219 1067858352 /nfs/dbraw/zinc/85/83/52/1067858352.db2.gz HNULXLWKLCAGPI-GASCZTMLSA-N 1 0 431.559 -1.305 20 0 IAADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000485536220 1067858415 /nfs/dbraw/zinc/85/84/15/1067858415.db2.gz HNULXLWKLCAGPI-GJZGRUSLSA-N 1 0 431.559 -1.305 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000485536221 1067858310 /nfs/dbraw/zinc/85/83/10/1067858310.db2.gz HNULXLWKLCAGPI-HUUCEWRRSA-N 1 0 431.559 -1.305 20 0 IAADRO C[NH+]1CCN(c2cc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)ccn2)CC1 ZINC000487386691 1067743626 /nfs/dbraw/zinc/74/36/26/1067743626.db2.gz HGRGWRRXGXTJFL-UHFFFAOYSA-N 1 0 430.509 -1.023 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000487536397 1067789570 /nfs/dbraw/zinc/78/95/70/1067789570.db2.gz NJJMTEUILIELPS-CVEARBPZSA-N 1 0 426.539 -1.211 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000487536410 1067789467 /nfs/dbraw/zinc/78/94/67/1067789467.db2.gz NJJMTEUILIELPS-HOTGVXAUSA-N 1 0 426.539 -1.211 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000487536412 1067789553 /nfs/dbraw/zinc/78/95/53/1067789553.db2.gz NJJMTEUILIELPS-HZPDHXFCSA-N 1 0 426.539 -1.211 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000487536415 1067789531 /nfs/dbraw/zinc/78/95/31/1067789531.db2.gz NJJMTEUILIELPS-JKSUJKDBSA-N 1 0 426.539 -1.211 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000487541113 1067790010 /nfs/dbraw/zinc/79/00/10/1067790010.db2.gz YDWGQIAHAQBAFX-UHFFFAOYSA-N 1 0 431.497 -1.410 20 0 IAADRO NS(=O)(=O)CCN1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000487949944 1067863105 /nfs/dbraw/zinc/86/31/05/1067863105.db2.gz BESWOAYAUOIMHM-UHFFFAOYSA-N 1 0 438.554 -1.057 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000487955870 1067863038 /nfs/dbraw/zinc/86/30/38/1067863038.db2.gz KZYJKDUOIYZCOM-KRWDZBQOSA-N 1 0 447.602 -1.409 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000487955871 1067863189 /nfs/dbraw/zinc/86/31/89/1067863189.db2.gz KZYJKDUOIYZCOM-QGZVFWFLSA-N 1 0 447.602 -1.409 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000487961486 1067863242 /nfs/dbraw/zinc/86/32/42/1067863242.db2.gz WMUJUXKAESIGEE-AWEZNQCLSA-N 1 0 442.542 -1.194 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000487961487 1067862991 /nfs/dbraw/zinc/86/29/91/1067862991.db2.gz WMUJUXKAESIGEE-CQSZACIVSA-N 1 0 442.542 -1.194 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000488632954 1067864676 /nfs/dbraw/zinc/86/46/76/1067864676.db2.gz VYOQNHRRXHPSKA-UHFFFAOYSA-N 1 0 433.391 -1.310 20 0 IAADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cnc21 ZINC000488726944 1067864697 /nfs/dbraw/zinc/86/46/97/1067864697.db2.gz QEMFMBOVGIPHBI-UHFFFAOYSA-N 1 0 436.494 -1.037 20 0 IAADRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000489094055 1067865082 /nfs/dbraw/zinc/86/50/82/1067865082.db2.gz KZPDMZLFWKDBIL-GOSISDBHSA-N 1 0 441.598 -1.442 20 0 IAADRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000489094056 1067864931 /nfs/dbraw/zinc/86/49/31/1067864931.db2.gz KZPDMZLFWKDBIL-SFHVURJKSA-N 1 0 441.598 -1.442 20 0 IAADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000490043320 1067868053 /nfs/dbraw/zinc/86/80/53/1067868053.db2.gz BKGDEFUKTIXRDY-UHFFFAOYSA-N 1 0 430.469 -1.077 20 0 IAADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000490085310 1067869348 /nfs/dbraw/zinc/86/93/48/1067869348.db2.gz FLBWOSIHJVMWQZ-UHFFFAOYSA-N 1 0 430.469 -1.077 20 0 IAADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490358136 1067869982 /nfs/dbraw/zinc/86/99/82/1067869982.db2.gz BBZQEKDRUYVUJY-UHFFFAOYSA-N 1 0 436.517 -2.220 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC000490368620 1067869888 /nfs/dbraw/zinc/86/98/88/1067869888.db2.gz LLWDSOZHQSBCFR-UHFFFAOYSA-N 1 0 448.528 -2.078 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 ZINC000490374484 1067870288 /nfs/dbraw/zinc/87/02/88/1067870288.db2.gz PLEHPRQEHFSMBS-INIZCTEOSA-N 1 0 449.512 -1.651 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 ZINC000490374535 1067870376 /nfs/dbraw/zinc/87/03/76/1067870376.db2.gz PLEHPRQEHFSMBS-MRXNPFEDSA-N 1 0 449.512 -1.651 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000490406655 1067870268 /nfs/dbraw/zinc/87/02/68/1067870268.db2.gz HQUJLMUXJXWWAO-UHFFFAOYSA-N 1 0 429.485 -1.362 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000490413397 1067870352 /nfs/dbraw/zinc/87/03/52/1067870352.db2.gz WJDIBVNWKDYBNH-UHFFFAOYSA-N 1 0 429.485 -1.362 20 0 IAADRO O=C(Cn1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1)NC1CC1 ZINC000490459879 1067870317 /nfs/dbraw/zinc/87/03/17/1067870317.db2.gz UDOLPLVBZANBNB-UHFFFAOYSA-N 1 0 431.497 -1.133 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(Cc3ccon3)CC2)cn1 ZINC000490488262 1067870657 /nfs/dbraw/zinc/87/06/57/1067870657.db2.gz NKGRMJYJLPBIAV-UHFFFAOYSA-N 1 0 432.485 -1.168 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490491654 1067870692 /nfs/dbraw/zinc/87/06/92/1067870692.db2.gz JBFVUDZPJLFDEE-UHFFFAOYSA-N 1 0 443.530 -2.007 20 0 IAADRO Cn1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)cn1 ZINC000490519848 1067870749 /nfs/dbraw/zinc/87/07/49/1067870749.db2.gz JKOHUSLNTVNNEN-UHFFFAOYSA-N 1 0 445.528 -1.423 20 0 IAADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)cn1 ZINC000491443398 1067910474 /nfs/dbraw/zinc/91/04/74/1067910474.db2.gz CEVWJXQNRPKGNJ-UHFFFAOYSA-N 1 0 431.501 -1.418 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000491530110 1067910546 /nfs/dbraw/zinc/91/05/46/1067910546.db2.gz KKYXZQATOZANMF-INIZCTEOSA-N 1 0 431.497 -1.135 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000491530111 1067910302 /nfs/dbraw/zinc/91/03/02/1067910302.db2.gz KKYXZQATOZANMF-MRXNPFEDSA-N 1 0 431.497 -1.135 20 0 IAADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2=O)cn1 ZINC000491579519 1067910269 /nfs/dbraw/zinc/91/02/69/1067910269.db2.gz RLZWXHHXXDCMFF-UHFFFAOYSA-N 1 0 445.484 -1.892 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491899966 1067911030 /nfs/dbraw/zinc/91/10/30/1067911030.db2.gz PMHTWXQIMVCPQO-KRWDZBQOSA-N 1 0 430.571 -1.112 20 0 IAADRO COCCN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491899967 1067910883 /nfs/dbraw/zinc/91/08/83/1067910883.db2.gz PMHTWXQIMVCPQO-QGZVFWFLSA-N 1 0 430.571 -1.112 20 0 IAADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000494372725 1067913153 /nfs/dbraw/zinc/91/31/53/1067913153.db2.gz BZLCPQUMTGZVMK-UHFFFAOYSA-N 1 0 427.527 -1.002 20 0 IAADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000494448500 1067913547 /nfs/dbraw/zinc/91/35/47/1067913547.db2.gz FPROCYKQCDFQRU-UHFFFAOYSA-N 1 0 427.527 -1.002 20 0 IAADRO CNC(=O)CCOC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000495077634 1067992008 /nfs/dbraw/zinc/99/20/08/1067992008.db2.gz FUFBTXVUQMFHIE-UHFFFAOYSA-N 1 0 439.557 -1.394 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1(C)C ZINC000496268237 1067920286 /nfs/dbraw/zinc/92/02/86/1067920286.db2.gz UFVHYLSJTABZLW-UHFFFAOYSA-N 1 0 438.573 -1.868 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1(C)C ZINC000496368632 1067920213 /nfs/dbraw/zinc/92/02/13/1067920213.db2.gz ZDEGUQIZJBBWTE-UHFFFAOYSA-N 1 0 438.573 -1.868 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1(C)C ZINC000496382740 1067920181 /nfs/dbraw/zinc/92/01/81/1067920181.db2.gz WGCVWTKGINKQIF-UHFFFAOYSA-N 1 0 431.541 -1.029 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1(C)C ZINC000496394808 1067920144 /nfs/dbraw/zinc/92/01/44/1067920144.db2.gz NFGSHBGHQOIKMA-UHFFFAOYSA-N 1 0 431.541 -1.029 20 0 IAADRO Nc1nccnc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2nccnc2N)CC1 ZINC000496598847 1067920639 /nfs/dbraw/zinc/92/06/39/1067920639.db2.gz KNVDBVDIAGXGBS-UHFFFAOYSA-N 1 0 442.528 -1.011 20 0 IAADRO CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(NCCOC)[nH+]c(N[C@H]2CCC[C@H]2C(=O)NC)n1 ZINC000497514042 1067924526 /nfs/dbraw/zinc/92/45/26/1067924526.db2.gz CBQDQTFGPAUBFY-KBXIAJHMSA-N 1 0 434.545 -1.151 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1=O ZINC000498162809 1067928569 /nfs/dbraw/zinc/92/85/69/1067928569.db2.gz NITRXNCCYQPYJD-BDXSIMOUSA-N 1 0 442.582 -1.067 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1=O ZINC000498162810 1067928611 /nfs/dbraw/zinc/92/86/11/1067928611.db2.gz NITRXNCCYQPYJD-BRSBDYLESA-N 1 0 442.582 -1.067 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1=O ZINC000498162811 1067928695 /nfs/dbraw/zinc/92/86/95/1067928695.db2.gz NITRXNCCYQPYJD-TVFCKZIOSA-N 1 0 442.582 -1.067 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1=O ZINC000498162812 1067928647 /nfs/dbraw/zinc/92/86/47/1067928647.db2.gz NITRXNCCYQPYJD-ZJPYXAASSA-N 1 0 442.582 -1.067 20 0 IAADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000498948840 1067937818 /nfs/dbraw/zinc/93/78/18/1067937818.db2.gz CVRFDBPZDRVPMX-UHFFFAOYSA-N 1 0 442.586 -1.609 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)ccn2)CC1 ZINC000499597108 1067966527 /nfs/dbraw/zinc/96/65/27/1067966527.db2.gz CCNNAZJHTIJCAJ-UHFFFAOYSA-N 1 0 428.501 -1.126 20 0 IAADRO O=S(=O)(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCS(=O)(=O)CC1 ZINC000500062123 1067669031 /nfs/dbraw/zinc/66/90/31/1067669031.db2.gz VPPLBZMBCAYJKJ-UHFFFAOYSA-N 1 0 432.572 -1.056 20 0 IAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCC1 ZINC000500430310 1067670784 /nfs/dbraw/zinc/67/07/84/1067670784.db2.gz XUKWBVBUPDMUFF-UHFFFAOYSA-N 1 0 441.510 -1.188 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500440767 1067675004 /nfs/dbraw/zinc/67/50/04/1067675004.db2.gz JNWWCAYONFSPJQ-UHFFFAOYSA-N 1 0 430.575 -1.777 20 0 IAADRO COCCN(C(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000501113189 1067698024 /nfs/dbraw/zinc/69/80/24/1067698024.db2.gz AOOKFNMVVPTGIY-KRWDZBQOSA-N 1 0 433.571 -1.192 20 0 IAADRO COCCN(C(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501113194 1067697946 /nfs/dbraw/zinc/69/79/46/1067697946.db2.gz AOOKFNMVVPTGIY-QGZVFWFLSA-N 1 0 433.571 -1.192 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000501640468 1067699225 /nfs/dbraw/zinc/69/92/25/1067699225.db2.gz PINIRESCZNIDGY-INIZCTEOSA-N 1 0 447.540 -1.144 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000501640471 1067699152 /nfs/dbraw/zinc/69/91/52/1067699152.db2.gz PINIRESCZNIDGY-MRXNPFEDSA-N 1 0 447.540 -1.144 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000501649266 1067699202 /nfs/dbraw/zinc/69/92/02/1067699202.db2.gz YXNWKGJLFRHRHI-GOSISDBHSA-N 1 0 449.552 -1.103 20 0 IAADRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000501649271 1067699864 /nfs/dbraw/zinc/69/98/64/1067699864.db2.gz YXNWKGJLFRHRHI-SFHVURJKSA-N 1 0 449.552 -1.103 20 0 IAADRO C[NH+]1CCN(c2cccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2)CC1 ZINC000502089523 1067700763 /nfs/dbraw/zinc/70/07/63/1067700763.db2.gz BSSKQXHEEOMCTI-UHFFFAOYSA-N 1 0 430.509 -1.023 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)CC1 ZINC000502822336 1067704617 /nfs/dbraw/zinc/70/46/17/1067704617.db2.gz BDDCXEZAIDZHQJ-UHFFFAOYSA-N 1 0 432.591 -1.082 20 0 IAADRO CC[NH+](CC)CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503478285 1067706135 /nfs/dbraw/zinc/70/61/35/1067706135.db2.gz GLDUBANDCSYGGK-INIZCTEOSA-N 1 0 438.616 -1.079 20 0 IAADRO CC[NH+](CC)CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503478286 1067706255 /nfs/dbraw/zinc/70/62/55/1067706255.db2.gz GLDUBANDCSYGGK-MRXNPFEDSA-N 1 0 438.616 -1.079 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000503596357 1067706008 /nfs/dbraw/zinc/70/60/08/1067706008.db2.gz QQEIKZPQCROPDM-UHFFFAOYSA-N 1 0 443.508 -1.277 20 0 IAADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600233 1067706273 /nfs/dbraw/zinc/70/62/73/1067706273.db2.gz ZKGPCQRWLZPKRZ-FQEVSTJZSA-N 1 0 436.601 -1.299 20 0 IAADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600234 1067706159 /nfs/dbraw/zinc/70/61/59/1067706159.db2.gz ZKGPCQRWLZPKRZ-HXUWFJFHSA-N 1 0 436.601 -1.299 20 0 IAADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503602765 1067705972 /nfs/dbraw/zinc/70/59/72/1067705972.db2.gz WVJBIZLAAUAYEZ-UHFFFAOYSA-N 1 0 444.492 -1.393 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504552759 1067708339 /nfs/dbraw/zinc/70/83/39/1067708339.db2.gz DFUSVXQJLBSDQQ-IBGZPJMESA-N 1 0 441.554 -1.010 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504552760 1067708204 /nfs/dbraw/zinc/70/82/04/1067708204.db2.gz DFUSVXQJLBSDQQ-LJQANCHMSA-N 1 0 441.554 -1.010 20 0 IAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504555703 1067708114 /nfs/dbraw/zinc/70/81/14/1067708114.db2.gz OLPZMCSVZQYGLF-INIZCTEOSA-N 1 0 431.497 -1.592 20 0 IAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504555704 1067708088 /nfs/dbraw/zinc/70/80/88/1067708088.db2.gz OLPZMCSVZQYGLF-MRXNPFEDSA-N 1 0 431.497 -1.592 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504563047 1067708246 /nfs/dbraw/zinc/70/82/46/1067708246.db2.gz IVYBVDSFBKRUSA-INIZCTEOSA-N 1 0 433.513 -1.346 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504563048 1067708144 /nfs/dbraw/zinc/70/81/44/1067708144.db2.gz IVYBVDSFBKRUSA-MRXNPFEDSA-N 1 0 433.513 -1.346 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000504574834 1067708658 /nfs/dbraw/zinc/70/86/58/1067708658.db2.gz IEEOAMNGQFYFJB-IBGZPJMESA-N 1 0 441.554 -1.010 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000504574836 1067708629 /nfs/dbraw/zinc/70/86/29/1067708629.db2.gz IEEOAMNGQFYFJB-LJQANCHMSA-N 1 0 441.554 -1.010 20 0 IAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504593003 1067709482 /nfs/dbraw/zinc/70/94/82/1067709482.db2.gz OWVIIFVPDGQNIG-CVEARBPZSA-N 1 0 431.497 -1.593 20 0 IAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504593004 1067709457 /nfs/dbraw/zinc/70/94/57/1067709457.db2.gz OWVIIFVPDGQNIG-HOTGVXAUSA-N 1 0 431.497 -1.593 20 0 IAADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504593005 1067709302 /nfs/dbraw/zinc/70/93/02/1067709302.db2.gz OWVIIFVPDGQNIG-HZPDHXFCSA-N 1 0 431.497 -1.593 20 0 IAADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504593006 1067709405 /nfs/dbraw/zinc/70/94/05/1067709405.db2.gz OWVIIFVPDGQNIG-JKSUJKDBSA-N 1 0 431.497 -1.593 20 0 IAADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)CC1 ZINC000504869506 1067710385 /nfs/dbraw/zinc/71/03/85/1067710385.db2.gz HYGNWVFBWHOJOM-UHFFFAOYSA-N 1 0 431.493 -1.015 20 0 IAADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000504877002 1067710261 /nfs/dbraw/zinc/71/02/61/1067710261.db2.gz UAJNGMODZJLBFK-UHFFFAOYSA-N 1 0 433.509 -1.086 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000505356399 1067711291 /nfs/dbraw/zinc/71/12/91/1067711291.db2.gz VUHNSJQNXIZSAN-UHFFFAOYSA-N 1 0 433.513 -1.164 20 0 IAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)Cc2ccccc2C1 ZINC000506409213 1067728282 /nfs/dbraw/zinc/72/82/82/1067728282.db2.gz XRHIVOCSHVXQPS-UHFFFAOYSA-N 1 0 440.508 -1.441 20 0 IAADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000507187062 1067737934 /nfs/dbraw/zinc/73/79/34/1067737934.db2.gz JFGAWUBAXBQBDU-UHFFFAOYSA-N 1 0 449.493 -1.073 20 0 IAADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000507224040 1067737980 /nfs/dbraw/zinc/73/79/80/1067737980.db2.gz MPTHIFONVZJNPC-UHFFFAOYSA-N 1 0 441.448 -1.265 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC000507344663 1067738442 /nfs/dbraw/zinc/73/84/42/1067738442.db2.gz BAGIGNCKJSBHCQ-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000507718495 1067739936 /nfs/dbraw/zinc/73/99/36/1067739936.db2.gz NLYGLIYIWRZOTM-GOSISDBHSA-N 1 0 443.614 -1.196 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000507718497 1067740141 /nfs/dbraw/zinc/74/01/41/1067740141.db2.gz NLYGLIYIWRZOTM-SFHVURJKSA-N 1 0 443.614 -1.196 20 0 IAADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507791052 1067747317 /nfs/dbraw/zinc/74/73/17/1067747317.db2.gz DIVARBFLXUVRDA-DOTOQJQBSA-N 1 0 435.529 -1.179 20 0 IAADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507791066 1067747243 /nfs/dbraw/zinc/74/72/43/1067747243.db2.gz DIVARBFLXUVRDA-NVXWUHKLSA-N 1 0 435.529 -1.179 20 0 IAADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507791069 1067747390 /nfs/dbraw/zinc/74/73/90/1067747390.db2.gz DIVARBFLXUVRDA-RDJZCZTQSA-N 1 0 435.529 -1.179 20 0 IAADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507791073 1067747285 /nfs/dbraw/zinc/74/72/85/1067747285.db2.gz DIVARBFLXUVRDA-WBVHZDCISA-N 1 0 435.529 -1.179 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC000507921409 1067748925 /nfs/dbraw/zinc/74/89/25/1067748925.db2.gz SWABJNVKTOEPCV-GOOCMWNKSA-N 1 0 433.513 -1.393 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cn1 ZINC000508673089 1067796861 /nfs/dbraw/zinc/79/68/61/1067796861.db2.gz BQNHGKQKPARLBF-UHFFFAOYSA-N 1 0 447.418 -1.268 20 0 IAADRO Cn1c2ncn(CC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c(=O)n(C)c1=O ZINC000508814392 1067691488 /nfs/dbraw/zinc/69/14/88/1067691488.db2.gz VPBUQKXYEDHBTP-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO Cn1c2ncn(CC(=O)NCc3cccnc3N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000508981361 1067973356 /nfs/dbraw/zinc/97/33/56/1067973356.db2.gz ZQQCFGABRHMRGY-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000509709296 1067895827 /nfs/dbraw/zinc/89/58/27/1067895827.db2.gz ARLVOUZHGIPROS-INIZCTEOSA-N 1 0 434.559 -1.276 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000509709304 1067895557 /nfs/dbraw/zinc/89/55/57/1067895557.db2.gz ARLVOUZHGIPROS-MRXNPFEDSA-N 1 0 434.559 -1.276 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000509711997 1067895890 /nfs/dbraw/zinc/89/58/90/1067895890.db2.gz CHSYWYCBHFZWPB-UHFFFAOYSA-N 1 0 444.558 -1.354 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000509712610 1067895765 /nfs/dbraw/zinc/89/57/65/1067895765.db2.gz HXSXNJMUQHGOMW-UHFFFAOYSA-N 1 0 425.490 -2.440 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000509713590 1067895627 /nfs/dbraw/zinc/89/56/27/1067895627.db2.gz KPZBRBBNOIWJHO-UHFFFAOYSA-N 1 0 431.515 -1.267 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000509718125 1067895673 /nfs/dbraw/zinc/89/56/73/1067895673.db2.gz XCKWJUMFPGYHRK-UHFFFAOYSA-N 1 0 427.502 -2.400 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000509718314 1067895505 /nfs/dbraw/zinc/89/55/05/1067895505.db2.gz XZGVZXCSVAOCNT-UHFFFAOYSA-N 1 0 427.527 -1.001 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000509722558 1067914026 /nfs/dbraw/zinc/91/40/26/1067914026.db2.gz SWZSVCHSNZGKOU-UHFFFAOYSA-N 1 0 448.590 -2.293 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000509723917 1067682992 /nfs/dbraw/zinc/68/29/92/1067682992.db2.gz ZXENZSDTQMJASO-KRWDZBQOSA-N 1 0 427.546 -1.538 20 0 IAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000509723919 1067683013 /nfs/dbraw/zinc/68/30/13/1067683013.db2.gz ZXENZSDTQMJASO-QGZVFWFLSA-N 1 0 427.546 -1.538 20 0 IAADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C)S1(=O)=O ZINC000509797203 1067689047 /nfs/dbraw/zinc/68/90/47/1067689047.db2.gz YMXOIMBXMLNMAZ-DZGCQCFKSA-N 1 0 442.542 -1.077 20 0 IAADRO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)S1(=O)=O ZINC000509797209 1067689054 /nfs/dbraw/zinc/68/90/54/1067689054.db2.gz YMXOIMBXMLNMAZ-HIFRSBDPSA-N 1 0 442.542 -1.077 20 0 IAADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)S1(=O)=O ZINC000509797212 1067689216 /nfs/dbraw/zinc/68/92/16/1067689216.db2.gz YMXOIMBXMLNMAZ-UKRRQHHQSA-N 1 0 442.542 -1.077 20 0 IAADRO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C)S1(=O)=O ZINC000509797215 1067689193 /nfs/dbraw/zinc/68/91/93/1067689193.db2.gz YMXOIMBXMLNMAZ-ZFWWWQNUSA-N 1 0 442.542 -1.077 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000509971699 1067707042 /nfs/dbraw/zinc/70/70/42/1067707042.db2.gz SNSZFZJHMIWHNT-SJORKVTESA-N 1 0 426.514 -1.358 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000510191376 1067622019 /nfs/dbraw/zinc/62/20/19/1067622019.db2.gz JEBBLELDIFGGTR-UHFFFAOYSA-N 1 0 445.524 -1.031 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000510274320 1067624134 /nfs/dbraw/zinc/62/41/34/1067624134.db2.gz XYHWAIDXPWRBNY-UHFFFAOYSA-N 1 0 446.508 -1.147 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000510767131 1067634579 /nfs/dbraw/zinc/63/45/79/1067634579.db2.gz VIDUOMHTSFQNCW-ARFHVFGLSA-N 1 0 436.600 -1.232 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000510767148 1067634564 /nfs/dbraw/zinc/63/45/64/1067634564.db2.gz VIDUOMHTSFQNCW-BZUAXINKSA-N 1 0 436.600 -1.232 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000510767150 1067634377 /nfs/dbraw/zinc/63/43/77/1067634377.db2.gz VIDUOMHTSFQNCW-HRCADAONSA-N 1 0 436.600 -1.232 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000510767153 1067634544 /nfs/dbraw/zinc/63/45/44/1067634544.db2.gz VIDUOMHTSFQNCW-OWCLPIDISA-N 1 0 436.600 -1.232 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000510782168 1067992063 /nfs/dbraw/zinc/99/20/63/1067992063.db2.gz VEPMDIZATRBCAA-DLBZAZTESA-N 1 0 445.586 -1.561 20 0 IAADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000510782184 1067991865 /nfs/dbraw/zinc/99/18/65/1067991865.db2.gz VEPMDIZATRBCAA-IAGOWNOFSA-N 1 0 445.586 -1.561 20 0 IAADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000510782186 1067992080 /nfs/dbraw/zinc/99/20/80/1067992080.db2.gz VEPMDIZATRBCAA-IRXDYDNUSA-N 1 0 445.586 -1.561 20 0 IAADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000510782188 1067992044 /nfs/dbraw/zinc/99/20/44/1067992044.db2.gz VEPMDIZATRBCAA-SJORKVTESA-N 1 0 445.586 -1.561 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000510903040 1067634887 /nfs/dbraw/zinc/63/48/87/1067634887.db2.gz OAIIBFNWMBXSGN-IBGZPJMESA-N 1 0 425.574 -1.064 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000510903041 1067635000 /nfs/dbraw/zinc/63/50/00/1067635000.db2.gz OAIIBFNWMBXSGN-LJQANCHMSA-N 1 0 425.574 -1.064 20 0 IAADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000511358222 1067660103 /nfs/dbraw/zinc/66/01/03/1067660103.db2.gz HRENONCNWHXWGX-UHFFFAOYSA-N 1 0 442.604 -1.132 20 0 IAADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000511575217 1067667175 /nfs/dbraw/zinc/66/71/75/1067667175.db2.gz OREQMDDBYJTIHU-AEFFLSMTSA-N 1 0 440.508 -1.019 20 0 IAADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000511575218 1067666882 /nfs/dbraw/zinc/66/68/82/1067666882.db2.gz OREQMDDBYJTIHU-FUHWJXTLSA-N 1 0 440.508 -1.019 20 0 IAADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000511575219 1067667095 /nfs/dbraw/zinc/66/70/95/1067667095.db2.gz OREQMDDBYJTIHU-SJLPKXTDSA-N 1 0 440.508 -1.019 20 0 IAADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000511575220 1067666950 /nfs/dbraw/zinc/66/69/50/1067666950.db2.gz OREQMDDBYJTIHU-WMZOPIPTSA-N 1 0 440.508 -1.019 20 0 IAADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000511976380 1067675070 /nfs/dbraw/zinc/67/50/70/1067675070.db2.gz YUDGIJJSBFSBED-UHFFFAOYSA-N 1 0 435.525 -1.351 20 0 IAADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000512635571 1067688078 /nfs/dbraw/zinc/68/80/78/1067688078.db2.gz RMFLMQRBIWFFDI-SFHVURJKSA-N 1 0 439.582 -1.031 20 0 IAADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000512843159 1067689707 /nfs/dbraw/zinc/68/97/07/1067689707.db2.gz CGOFFNQWAXTWPX-UHFFFAOYSA-N 1 0 438.573 -1.147 20 0 IAADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000513072773 1067691745 /nfs/dbraw/zinc/69/17/45/1067691745.db2.gz BWYYOHOOOQDGFA-INIZCTEOSA-N 1 0 432.568 -1.160 20 0 IAADRO Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(=O)n(C)c1=O ZINC000513074723 1067692025 /nfs/dbraw/zinc/69/20/25/1067692025.db2.gz KJUXQBZIROXAIH-HNNXBMFYSA-N 1 0 437.522 -1.349 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000513445599 1067695275 /nfs/dbraw/zinc/69/52/75/1067695275.db2.gz VKBZTSARQLEFIJ-AWEZNQCLSA-N 1 0 433.513 -1.117 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000513445600 1067695119 /nfs/dbraw/zinc/69/51/19/1067695119.db2.gz VKBZTSARQLEFIJ-CQSZACIVSA-N 1 0 433.513 -1.117 20 0 IAADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513458456 1067694976 /nfs/dbraw/zinc/69/49/76/1067694976.db2.gz RAZZBPSNELAUGZ-HNNXBMFYSA-N 1 0 425.530 -1.392 20 0 IAADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513458457 1067695105 /nfs/dbraw/zinc/69/51/05/1067695105.db2.gz RAZZBPSNELAUGZ-OAHLLOKOSA-N 1 0 425.530 -1.392 20 0 IAADRO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463602 1067695151 /nfs/dbraw/zinc/69/51/51/1067695151.db2.gz OIVQFLSBSFQGST-INIZCTEOSA-N 1 0 446.618 -1.285 20 0 IAADRO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463603 1067695029 /nfs/dbraw/zinc/69/50/29/1067695029.db2.gz OIVQFLSBSFQGST-MRXNPFEDSA-N 1 0 446.618 -1.285 20 0 IAADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000513628878 1067696880 /nfs/dbraw/zinc/69/68/80/1067696880.db2.gz COCKVWLEQZIDAY-UHFFFAOYSA-N 1 0 430.509 -1.049 20 0 IAADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2)CC1 ZINC000513644331 1067696890 /nfs/dbraw/zinc/69/68/90/1067696890.db2.gz AUXKQJHWCWTMHQ-UHFFFAOYSA-N 1 0 432.525 -1.201 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000514311054 1067713589 /nfs/dbraw/zinc/71/35/89/1067713589.db2.gz RBFVQWVYILSZEP-INIZCTEOSA-N 1 0 446.574 -1.522 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000514311063 1067713429 /nfs/dbraw/zinc/71/34/29/1067713429.db2.gz RBFVQWVYILSZEP-MRXNPFEDSA-N 1 0 446.574 -1.522 20 0 IAADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000514439552 1067714691 /nfs/dbraw/zinc/71/46/91/1067714691.db2.gz VNJNMNJGRDRWIP-BRWVUGGUSA-N 1 0 426.514 -1.312 20 0 IAADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000514439553 1067714851 /nfs/dbraw/zinc/71/48/51/1067714851.db2.gz VNJNMNJGRDRWIP-GVDBMIGSSA-N 1 0 426.514 -1.312 20 0 IAADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000514439554 1067714819 /nfs/dbraw/zinc/71/48/19/1067714819.db2.gz VNJNMNJGRDRWIP-IXDOHACOSA-N 1 0 426.514 -1.312 20 0 IAADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000514439555 1067714713 /nfs/dbraw/zinc/71/47/13/1067714713.db2.gz VNJNMNJGRDRWIP-YESZJQIVSA-N 1 0 426.514 -1.312 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000514551564 1067715593 /nfs/dbraw/zinc/71/55/93/1067715593.db2.gz FAHQCRSYBLVYIQ-HNNXBMFYSA-N 1 0 427.527 -1.400 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000514551567 1067715727 /nfs/dbraw/zinc/71/57/27/1067715727.db2.gz FAHQCRSYBLVYIQ-OAHLLOKOSA-N 1 0 427.527 -1.400 20 0 IAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514743232 1067716270 /nfs/dbraw/zinc/71/62/70/1067716270.db2.gz WGCKBKLRXLGBDQ-UHFFFAOYSA-N 1 0 439.513 -2.255 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000514755239 1067716643 /nfs/dbraw/zinc/71/66/43/1067716643.db2.gz FEDPMHHMECIVRM-OAHLLOKOSA-N 1 0 443.526 -1.219 20 0 IAADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000514886701 1067717006 /nfs/dbraw/zinc/71/70/06/1067717006.db2.gz KFCFVVMBMOIJGC-KBPBESRZSA-N 1 0 431.515 -1.174 20 0 IAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000514886709 1067716945 /nfs/dbraw/zinc/71/69/45/1067716945.db2.gz KFCFVVMBMOIJGC-OKILXGFUSA-N 1 0 431.515 -1.174 20 0 IAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000514886710 1067716963 /nfs/dbraw/zinc/71/69/63/1067716963.db2.gz KFCFVVMBMOIJGC-ZIAGYGMSSA-N 1 0 431.515 -1.174 20 0 IAADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000515273353 1067718166 /nfs/dbraw/zinc/71/81/66/1067718166.db2.gz RMBDDBNYXQQLGV-INIZCTEOSA-N 1 0 441.554 -1.010 20 0 IAADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000515273354 1067718075 /nfs/dbraw/zinc/71/80/75/1067718075.db2.gz RMBDDBNYXQQLGV-MRXNPFEDSA-N 1 0 441.554 -1.010 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000515664545 1067719606 /nfs/dbraw/zinc/71/96/06/1067719606.db2.gz MNVCGNCQXPTWBM-KRWDZBQOSA-N 1 0 447.540 -1.201 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000515664546 1067719484 /nfs/dbraw/zinc/71/94/84/1067719484.db2.gz MNVCGNCQXPTWBM-QGZVFWFLSA-N 1 0 447.540 -1.201 20 0 IAADRO Cn1c2ncn(CC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)c2c(=O)n(C)c1=O ZINC000515788129 1067719886 /nfs/dbraw/zinc/71/98/86/1067719886.db2.gz UAUAPGFFEVMECT-UHFFFAOYSA-N 1 0 426.481 -1.103 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cnc2n(C)c1=O ZINC000515962684 1067720421 /nfs/dbraw/zinc/72/04/21/1067720421.db2.gz SANHIHBOUUXCRZ-UHFFFAOYSA-N 1 0 443.508 -1.189 20 0 IAADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000516113271 1067721228 /nfs/dbraw/zinc/72/12/28/1067721228.db2.gz WYAXXVLSMFASTL-INIZCTEOSA-N 1 0 449.556 -1.041 20 0 IAADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000516113272 1067721161 /nfs/dbraw/zinc/72/11/61/1067721161.db2.gz WYAXXVLSMFASTL-MRXNPFEDSA-N 1 0 449.556 -1.041 20 0 IAADRO COC(=O)CC[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](C)C1 ZINC000516268020 1067721449 /nfs/dbraw/zinc/72/14/49/1067721449.db2.gz VLUFXZYVBWIYSV-JCQVVMGJSA-N 1 0 436.469 -1.489 20 0 IAADRO COC(=O)CC[N@@H+]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](C)C1 ZINC000516268021 1067721627 /nfs/dbraw/zinc/72/16/27/1067721627.db2.gz VLUFXZYVBWIYSV-NSDPQSHHSA-N 1 0 436.469 -1.489 20 0 IAADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccn1 ZINC000516598294 1067900001 /nfs/dbraw/zinc/90/00/01/1067900001.db2.gz QTDYIXPYKCFDSM-UHFFFAOYSA-N 1 0 445.484 -2.004 20 0 IAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000516633281 1067722885 /nfs/dbraw/zinc/72/28/85/1067722885.db2.gz PTCKFCCJNOEQDD-UHFFFAOYSA-N 1 0 430.575 -1.777 20 0 IAADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000516676304 1067722771 /nfs/dbraw/zinc/72/27/71/1067722771.db2.gz KWSRSYRUHPWFRC-UHFFFAOYSA-N 1 0 445.498 -2.094 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000516744383 1067723162 /nfs/dbraw/zinc/72/31/62/1067723162.db2.gz IWFPNUWOWRPMGW-HNNXBMFYSA-N 1 0 427.527 -1.400 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000516744384 1067723217 /nfs/dbraw/zinc/72/32/17/1067723217.db2.gz IWFPNUWOWRPMGW-OAHLLOKOSA-N 1 0 427.527 -1.400 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000516889748 1067723612 /nfs/dbraw/zinc/72/36/12/1067723612.db2.gz QHOGAAGFXKBAJQ-CVEARBPZSA-N 1 0 434.501 -2.162 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000516889749 1067723513 /nfs/dbraw/zinc/72/35/13/1067723513.db2.gz QHOGAAGFXKBAJQ-HOTGVXAUSA-N 1 0 434.501 -2.162 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000516889750 1067723539 /nfs/dbraw/zinc/72/35/39/1067723539.db2.gz QHOGAAGFXKBAJQ-HZPDHXFCSA-N 1 0 434.501 -2.162 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000516889751 1067723603 /nfs/dbraw/zinc/72/36/03/1067723603.db2.gz QHOGAAGFXKBAJQ-JKSUJKDBSA-N 1 0 434.501 -2.162 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CCN2C1=O ZINC000517041653 1067724016 /nfs/dbraw/zinc/72/40/16/1067724016.db2.gz DDEARNCUCCSTKH-FCEWJHQRSA-N 1 0 443.504 -1.259 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CCN2C1=O ZINC000517041655 1067723870 /nfs/dbraw/zinc/72/38/70/1067723870.db2.gz DDEARNCUCCSTKH-FRQCXROJSA-N 1 0 443.504 -1.259 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CCN2C1=O ZINC000517041656 1067723826 /nfs/dbraw/zinc/72/38/26/1067723826.db2.gz DDEARNCUCCSTKH-GPMSIDNRSA-N 1 0 443.504 -1.259 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CCN2C1=O ZINC000517041657 1067723979 /nfs/dbraw/zinc/72/39/79/1067723979.db2.gz DDEARNCUCCSTKH-MDZRGWNJSA-N 1 0 443.504 -1.259 20 0 IAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000518036870 1067727459 /nfs/dbraw/zinc/72/74/59/1067727459.db2.gz DNANAMAYRVMQPG-KRWDZBQOSA-N 1 0 431.607 -1.558 20 0 IAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000518036871 1067727766 /nfs/dbraw/zinc/72/77/66/1067727766.db2.gz DNANAMAYRVMQPG-QGZVFWFLSA-N 1 0 431.607 -1.558 20 0 IAADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000518293598 1067728515 /nfs/dbraw/zinc/72/85/15/1067728515.db2.gz BGXODRJWFPYDGQ-AWEZNQCLSA-N 1 0 432.481 -1.220 20 0 IAADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000518293599 1067728708 /nfs/dbraw/zinc/72/87/08/1067728708.db2.gz BGXODRJWFPYDGQ-CQSZACIVSA-N 1 0 432.481 -1.220 20 0 IAADRO COCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000518880270 1067732447 /nfs/dbraw/zinc/73/24/47/1067732447.db2.gz OCRDLTQUGSJAOC-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519556949 1067736537 /nfs/dbraw/zinc/73/65/37/1067736537.db2.gz QNPXYXRHHPUMSP-HOTGVXAUSA-N 1 0 433.575 -1.057 20 0 IAADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519556998 1067766524 /nfs/dbraw/zinc/76/65/24/1067766524.db2.gz QNPXYXRHHPUMSP-HZPDHXFCSA-N 1 0 433.575 -1.057 20 0 IAADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519556999 1067736468 /nfs/dbraw/zinc/73/64/68/1067736468.db2.gz QNPXYXRHHPUMSP-IYBDPMFKSA-N 1 0 433.575 -1.057 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000519808764 1067740820 /nfs/dbraw/zinc/74/08/20/1067740820.db2.gz AQQZQIRXSMQNRP-UHFFFAOYSA-N 1 0 434.563 -2.683 20 0 IAADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519843806 1067741263 /nfs/dbraw/zinc/74/12/63/1067741263.db2.gz PBKAVPJHVBOXLI-HNNXBMFYSA-N 1 0 439.538 -1.086 20 0 IAADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519843872 1067741360 /nfs/dbraw/zinc/74/13/60/1067741360.db2.gz PBKAVPJHVBOXLI-OAHLLOKOSA-N 1 0 439.538 -1.086 20 0 IAADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000520429732 1067744845 /nfs/dbraw/zinc/74/48/45/1067744845.db2.gz PGIJZNNBGLIPHS-UHFFFAOYSA-N 1 0 439.538 -1.101 20 0 IAADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000520553886 1067746160 /nfs/dbraw/zinc/74/61/60/1067746160.db2.gz RFXDETWHHHXWHT-KRWDZBQOSA-N 1 0 437.541 -1.247 20 0 IAADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000520553887 1067745982 /nfs/dbraw/zinc/74/59/82/1067745982.db2.gz RFXDETWHHHXWHT-QGZVFWFLSA-N 1 0 437.541 -1.247 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000520590746 1067746434 /nfs/dbraw/zinc/74/64/34/1067746434.db2.gz XJXXKVBMYGSVLG-KRWDZBQOSA-N 1 0 437.541 -1.247 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000520590747 1067746574 /nfs/dbraw/zinc/74/65/74/1067746574.db2.gz XJXXKVBMYGSVLG-QGZVFWFLSA-N 1 0 437.541 -1.247 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000520766150 1067748598 /nfs/dbraw/zinc/74/85/98/1067748598.db2.gz LTLVORZZPYVVSJ-INIZCTEOSA-N 1 0 437.522 -1.123 20 0 IAADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000520766151 1067748468 /nfs/dbraw/zinc/74/84/68/1067748468.db2.gz LTLVORZZPYVVSJ-MRXNPFEDSA-N 1 0 437.522 -1.123 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000520840803 1067750784 /nfs/dbraw/zinc/75/07/84/1067750784.db2.gz VMAZTMWRZBYUNV-UHFFFAOYSA-N 1 0 428.501 -1.126 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000521462958 1067759081 /nfs/dbraw/zinc/75/90/81/1067759081.db2.gz SLVZPILQKUEDOV-BBRMVZONSA-N 1 0 444.535 -1.360 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000521462959 1067758934 /nfs/dbraw/zinc/75/89/34/1067758934.db2.gz SLVZPILQKUEDOV-CJNGLKHVSA-N 1 0 444.535 -1.360 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000521462960 1067759067 /nfs/dbraw/zinc/75/90/67/1067759067.db2.gz SLVZPILQKUEDOV-CZUORRHYSA-N 1 0 444.535 -1.360 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000521462961 1067758914 /nfs/dbraw/zinc/75/89/14/1067758914.db2.gz SLVZPILQKUEDOV-XJKSGUPXSA-N 1 0 444.535 -1.360 20 0 IAADRO O=C(Cn1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1)N1CCOCC1 ZINC000522692636 1067768104 /nfs/dbraw/zinc/76/81/04/1067768104.db2.gz QYDGWDWFATURAB-INIZCTEOSA-N 1 0 434.497 -1.139 20 0 IAADRO O=C(Cn1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1)N1CCOCC1 ZINC000522692637 1067768130 /nfs/dbraw/zinc/76/81/30/1067768130.db2.gz QYDGWDWFATURAB-MRXNPFEDSA-N 1 0 434.497 -1.139 20 0 IAADRO Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1C ZINC000524652151 1067777795 /nfs/dbraw/zinc/77/77/95/1067777795.db2.gz HELWMKSZGYMMTG-UHFFFAOYSA-N 1 0 440.530 -1.090 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000524786302 1067778122 /nfs/dbraw/zinc/77/81/22/1067778122.db2.gz YUNIBUSBEPATOW-INIZCTEOSA-N 1 0 438.529 -1.714 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000524786303 1067778260 /nfs/dbraw/zinc/77/82/60/1067778260.db2.gz YUNIBUSBEPATOW-MRXNPFEDSA-N 1 0 438.529 -1.714 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c(=O)n2C ZINC000525102244 1067779177 /nfs/dbraw/zinc/77/91/77/1067779177.db2.gz LDPYLEJVYPZZKW-UHFFFAOYSA-N 1 0 431.457 -2.053 20 0 IAADRO Cn1c(=O)c2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cnc2n(C)c1=O ZINC000525104948 1067779113 /nfs/dbraw/zinc/77/91/13/1067779113.db2.gz IXVBCDLLMLVEDL-UHFFFAOYSA-N 1 0 428.453 -1.241 20 0 IAADRO Cn1c(=O)c2ccc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)nc2n(C)c1=O ZINC000525616731 1067781119 /nfs/dbraw/zinc/78/11/19/1067781119.db2.gz JPAMOIWAIALZED-UHFFFAOYSA-N 1 0 428.453 -1.241 20 0 IAADRO Cn1c2ncn(CCC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000525620057 1067780918 /nfs/dbraw/zinc/78/09/18/1067780918.db2.gz ZBSPXKVZPHQDTN-UHFFFAOYSA-N 1 0 445.484 -1.663 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1C ZINC000525758684 1067781826 /nfs/dbraw/zinc/78/18/26/1067781826.db2.gz JQRAJZXYVAFSBY-UHFFFAOYSA-N 1 0 426.503 -1.480 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)cn1 ZINC000525856662 1067781595 /nfs/dbraw/zinc/78/15/95/1067781595.db2.gz CINACONAJCTWGF-UHFFFAOYSA-N 1 0 447.496 -1.313 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c(=O)n2C ZINC000531198590 1067787205 /nfs/dbraw/zinc/78/72/05/1067787205.db2.gz XEPNMKZEHOGNNH-CYBMUJFWSA-N 1 0 440.526 -1.599 20 0 IAADRO Cn1cnc2c1c(=O)n(CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c(=O)n2C ZINC000531198591 1067787109 /nfs/dbraw/zinc/78/71/09/1067787109.db2.gz XEPNMKZEHOGNNH-ZDUSSCGKSA-N 1 0 440.526 -1.599 20 0 IAADRO Cn1c2ncn(CC(=O)N(CCC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000531824251 1067788234 /nfs/dbraw/zinc/78/82/34/1067788234.db2.gz WOCATEGHNRHNTA-CYBMUJFWSA-N 1 0 440.526 -1.599 20 0 IAADRO Cn1c2ncn(CC(=O)N(CCC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000531824253 1067788366 /nfs/dbraw/zinc/78/83/66/1067788366.db2.gz WOCATEGHNRHNTA-ZDUSSCGKSA-N 1 0 440.526 -1.599 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000532598525 1067790809 /nfs/dbraw/zinc/79/08/09/1067790809.db2.gz MIPCTTVBRLYMTP-UHFFFAOYSA-N 1 0 447.540 -1.080 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000532998601 1067793053 /nfs/dbraw/zinc/79/30/53/1067793053.db2.gz ZPRGGXRXXNRFEI-UHFFFAOYSA-N 1 0 447.540 -1.080 20 0 IAADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000533059538 1067793308 /nfs/dbraw/zinc/79/33/08/1067793308.db2.gz MNKGDIDHGXHRFP-DLBZAZTESA-N 1 0 438.554 -1.397 20 0 IAADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000533059539 1067793465 /nfs/dbraw/zinc/79/34/65/1067793465.db2.gz MNKGDIDHGXHRFP-IAGOWNOFSA-N 1 0 438.554 -1.397 20 0 IAADRO O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000533059540 1067793382 /nfs/dbraw/zinc/79/33/82/1067793382.db2.gz MNKGDIDHGXHRFP-IRXDYDNUSA-N 1 0 438.554 -1.397 20 0 IAADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000533059541 1067793252 /nfs/dbraw/zinc/79/32/52/1067793252.db2.gz MNKGDIDHGXHRFP-SJORKVTESA-N 1 0 438.554 -1.397 20 0 IAADRO Cn1c(CN2CCC[C@H]([N@H+](C)Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147958 1067793913 /nfs/dbraw/zinc/79/39/13/1067793913.db2.gz ICAIOLVJLPJBRU-HNNXBMFYSA-N 1 0 432.525 -1.032 20 0 IAADRO Cn1c(CN2CCC[C@@H]([N@H+](C)Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147959 1067793698 /nfs/dbraw/zinc/79/36/98/1067793698.db2.gz ICAIOLVJLPJBRU-OAHLLOKOSA-N 1 0 432.525 -1.032 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000533316077 1067794487 /nfs/dbraw/zinc/79/44/87/1067794487.db2.gz LUMYDZXJDVSPDO-GOSISDBHSA-N 1 0 447.540 -1.081 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000533316078 1067794831 /nfs/dbraw/zinc/79/48/31/1067794831.db2.gz LUMYDZXJDVSPDO-SFHVURJKSA-N 1 0 447.540 -1.081 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 ZINC000533462720 1067982004 /nfs/dbraw/zinc/98/20/04/1067982004.db2.gz AGIKLLJKXNFXFZ-AWEZNQCLSA-N 1 0 430.531 -1.012 20 0 IAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000533462722 1067981819 /nfs/dbraw/zinc/98/18/19/1067981819.db2.gz AGIKLLJKXNFXFZ-CQSZACIVSA-N 1 0 430.531 -1.012 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516046 1067796114 /nfs/dbraw/zinc/79/61/14/1067796114.db2.gz BDWUCZZGTXGUQN-FGTMMUONSA-N 1 0 432.587 -1.453 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516053 1067795909 /nfs/dbraw/zinc/79/59/09/1067795909.db2.gz BDWUCZZGTXGUQN-KURKYZTESA-N 1 0 432.587 -1.453 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516054 1067795973 /nfs/dbraw/zinc/79/59/73/1067795973.db2.gz BDWUCZZGTXGUQN-KZNAEPCWSA-N 1 0 432.587 -1.453 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516056 1067796015 /nfs/dbraw/zinc/79/60/15/1067796015.db2.gz BDWUCZZGTXGUQN-SQNIBIBYSA-N 1 0 432.587 -1.453 20 0 IAADRO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1)C(=O)N(C)C ZINC000533606495 1067796386 /nfs/dbraw/zinc/79/63/86/1067796386.db2.gz PLVMEXQFXVWZFR-IKGGRYGDSA-N 1 0 440.589 -1.042 20 0 IAADRO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1)C(=O)N(C)C ZINC000533606503 1067796554 /nfs/dbraw/zinc/79/65/54/1067796554.db2.gz PLVMEXQFXVWZFR-IXDOHACOSA-N 1 0 440.589 -1.042 20 0 IAADRO C[C@H](NC(=O)CN1CCC[C@H]([N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1)C(=O)N(C)C ZINC000533606504 1067796447 /nfs/dbraw/zinc/79/64/47/1067796447.db2.gz PLVMEXQFXVWZFR-ULQDDVLXSA-N 1 0 440.589 -1.042 20 0 IAADRO C[C@H](NC(=O)CN1CCC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1)C(=O)N(C)C ZINC000533606505 1067796787 /nfs/dbraw/zinc/79/67/87/1067796787.db2.gz PLVMEXQFXVWZFR-YESZJQIVSA-N 1 0 440.589 -1.042 20 0 IAADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000534526205 1067895288 /nfs/dbraw/zinc/89/52/88/1067895288.db2.gz OSYFRAPHLCTDJN-UHFFFAOYSA-N 1 0 446.489 -1.209 20 0 IAADRO CC(C)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)NCC[NH+](C)C ZINC000534652765 1067895118 /nfs/dbraw/zinc/89/51/18/1067895118.db2.gz PCCGBXUTYRHGSD-AWEZNQCLSA-N 1 0 427.593 -1.510 20 0 IAADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000534718159 1067895732 /nfs/dbraw/zinc/89/57/32/1067895732.db2.gz QYLZDFYYOHSOOV-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO CNc1nc(NCC2CCS(=O)(=O)CC2)nc(NCC2CCS(=O)(=O)CC2)[nH+]1 ZINC000535919076 1067643802 /nfs/dbraw/zinc/64/38/02/1067643802.db2.gz QAYOLLIZRUIJSU-UHFFFAOYSA-N 1 0 432.572 -1.348 20 0 IAADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1S(C)(=O)=O ZINC000538485667 1067816630 /nfs/dbraw/zinc/81/66/30/1067816630.db2.gz DDWFQBQOPXQIPG-ZDUSSCGKSA-N 1 0 443.530 -2.008 20 0 IAADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000539233498 1067820331 /nfs/dbraw/zinc/82/03/31/1067820331.db2.gz NDFPYSSKBDPSEG-UHFFFAOYSA-N 1 0 438.617 -1.053 20 0 IAADRO CC(C)[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)N1CCOCC1 ZINC000539361332 1067820928 /nfs/dbraw/zinc/82/09/28/1067820928.db2.gz RVUVFSOCOVJUNA-AEFFLSMTSA-N 1 0 430.571 -1.209 20 0 IAADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)N1CCOCC1 ZINC000539361333 1067820667 /nfs/dbraw/zinc/82/06/67/1067820667.db2.gz RVUVFSOCOVJUNA-FUHWJXTLSA-N 1 0 430.571 -1.209 20 0 IAADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)N1CCOCC1 ZINC000539361334 1067820696 /nfs/dbraw/zinc/82/06/96/1067820696.db2.gz RVUVFSOCOVJUNA-SJLPKXTDSA-N 1 0 430.571 -1.209 20 0 IAADRO CC(C)[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)N1CCOCC1 ZINC000539361335 1067820854 /nfs/dbraw/zinc/82/08/54/1067820854.db2.gz RVUVFSOCOVJUNA-WMZOPIPTSA-N 1 0 430.571 -1.209 20 0 IAADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000540372848 1067901472 /nfs/dbraw/zinc/90/14/72/1067901472.db2.gz VNDIOFRECIWGIT-UHFFFAOYSA-N 1 0 444.500 -1.164 20 0 IAADRO CC(C)[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)N1CCOCC1 ZINC000540459069 1067901748 /nfs/dbraw/zinc/90/17/48/1067901748.db2.gz VRTHPXBSFPIBQU-FQEVSTJZSA-N 1 0 439.557 -1.538 20 0 IAADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)N1CCOCC1 ZINC000540459073 1067901790 /nfs/dbraw/zinc/90/17/90/1067901790.db2.gz VRTHPXBSFPIBQU-HXUWFJFHSA-N 1 0 439.557 -1.538 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)S(N)(=O)=O ZINC000541031209 1067904808 /nfs/dbraw/zinc/90/48/08/1067904808.db2.gz ZAEVJMYCZUECEV-BBRMVZONSA-N 1 0 439.538 -1.207 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)S(N)(=O)=O ZINC000541031210 1067904818 /nfs/dbraw/zinc/90/48/18/1067904818.db2.gz ZAEVJMYCZUECEV-CJNGLKHVSA-N 1 0 439.538 -1.207 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)S(N)(=O)=O ZINC000541031212 1067904880 /nfs/dbraw/zinc/90/48/80/1067904880.db2.gz ZAEVJMYCZUECEV-CZUORRHYSA-N 1 0 439.538 -1.207 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)S(N)(=O)=O ZINC000541031214 1067904828 /nfs/dbraw/zinc/90/48/28/1067904828.db2.gz ZAEVJMYCZUECEV-XJKSGUPXSA-N 1 0 439.538 -1.207 20 0 IAADRO CNc1nc(NC[C@H]2CCCCS2(=O)=O)nc(NC[C@@H]2CCCCS2(=O)=O)[nH+]1 ZINC000544124122 1068158361 /nfs/dbraw/zinc/15/83/61/1068158361.db2.gz RQDKVBSCGIRCDH-BETUJISGSA-N 1 0 432.572 -1.063 20 0 IAADRO CNc1nc(NC[C@H]2CCCCS2(=O)=O)nc(NC[C@H]2CCCCS2(=O)=O)[nH+]1 ZINC000544124134 1068158190 /nfs/dbraw/zinc/15/81/90/1068158190.db2.gz RQDKVBSCGIRCDH-CHWSQXEVSA-N 1 0 432.572 -1.063 20 0 IAADRO CNc1nc(NC[C@@H]2CCCCS2(=O)=O)nc(NC[C@@H]2CCCCS2(=O)=O)[nH+]1 ZINC000544124135 1068158279 /nfs/dbraw/zinc/15/82/79/1068158279.db2.gz RQDKVBSCGIRCDH-STQMWFEESA-N 1 0 432.572 -1.063 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000544708239 1068162995 /nfs/dbraw/zinc/16/29/95/1068162995.db2.gz RZHAUSFKYVIFAM-UHFFFAOYSA-N 1 0 434.540 -1.104 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000544709599 1068163052 /nfs/dbraw/zinc/16/30/52/1068163052.db2.gz DNKHRNMRNJAPKS-UHFFFAOYSA-N 1 0 434.540 -1.255 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000544709623 1068163206 /nfs/dbraw/zinc/16/32/06/1068163206.db2.gz FWRUWRMYHPMECN-UHFFFAOYSA-N 1 0 434.540 -1.255 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)cn1 ZINC000544742464 1068163081 /nfs/dbraw/zinc/16/30/81/1068163081.db2.gz NIQRGEMVFYDXDU-UHFFFAOYSA-N 1 0 447.475 -1.223 20 0 IAADRO Cc1nccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)n1 ZINC000545392132 1068168622 /nfs/dbraw/zinc/16/86/22/1068168622.db2.gz NIQLQGCBBBXIFI-UHFFFAOYSA-N 1 0 443.512 -1.053 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545874653 1068172786 /nfs/dbraw/zinc/17/27/86/1068172786.db2.gz RXZHAQIISGBUJA-GOSISDBHSA-N 1 0 426.495 -1.171 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545874656 1068173001 /nfs/dbraw/zinc/17/30/01/1068173001.db2.gz RXZHAQIISGBUJA-SFHVURJKSA-N 1 0 426.495 -1.171 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cn1 ZINC000546205477 1068175002 /nfs/dbraw/zinc/17/50/02/1068175002.db2.gz ZHCKMJADWANUDE-AWEZNQCLSA-N 1 0 434.501 -1.438 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cn1 ZINC000546205497 1068174988 /nfs/dbraw/zinc/17/49/88/1068174988.db2.gz ZHCKMJADWANUDE-CQSZACIVSA-N 1 0 434.501 -1.438 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000546587144 1068176912 /nfs/dbraw/zinc/17/69/12/1068176912.db2.gz QQEJKWABFNAGIM-GOSISDBHSA-N 1 0 444.485 -1.032 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000546587145 1068177068 /nfs/dbraw/zinc/17/70/68/1068177068.db2.gz QQEJKWABFNAGIM-SFHVURJKSA-N 1 0 444.485 -1.032 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000546759453 1068177653 /nfs/dbraw/zinc/17/76/53/1068177653.db2.gz ALKXNNQJORAGSL-UHFFFAOYSA-N 1 0 428.577 -1.680 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000546761737 1068178158 /nfs/dbraw/zinc/17/81/58/1068178158.db2.gz NCHVCCNSYRUHDD-UHFFFAOYSA-N 1 0 441.576 -2.469 20 0 IAADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000546778015 1068178234 /nfs/dbraw/zinc/17/82/34/1068178234.db2.gz UDPKCRIANUEGGW-UHFFFAOYSA-N 1 0 426.561 -1.327 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000547286025 1068181105 /nfs/dbraw/zinc/18/11/05/1068181105.db2.gz HDYHWTLQXRVPOV-DYESRHJHSA-N 1 0 432.477 -1.178 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000547286028 1068181075 /nfs/dbraw/zinc/18/10/75/1068181075.db2.gz HDYHWTLQXRVPOV-LAUBAEHRSA-N 1 0 432.477 -1.178 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000547286029 1068181247 /nfs/dbraw/zinc/18/12/47/1068181247.db2.gz HDYHWTLQXRVPOV-UTKZUKDTSA-N 1 0 432.477 -1.178 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000547286030 1068181257 /nfs/dbraw/zinc/18/12/57/1068181257.db2.gz HDYHWTLQXRVPOV-UWJYYQICSA-N 1 0 432.477 -1.178 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000547293255 1068181150 /nfs/dbraw/zinc/18/11/50/1068181150.db2.gz UJLXDLRYCJTWNS-NRFANRHFSA-N 1 0 433.509 -1.130 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000547293256 1068181060 /nfs/dbraw/zinc/18/10/60/1068181060.db2.gz UJLXDLRYCJTWNS-OAQYLSRUSA-N 1 0 433.509 -1.130 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000547294731 1068181291 /nfs/dbraw/zinc/18/12/91/1068181291.db2.gz RENRWZGBZJPIDQ-IBGZPJMESA-N 1 0 439.538 -1.256 20 0 IAADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000547294762 1068180974 /nfs/dbraw/zinc/18/09/74/1068180974.db2.gz RENRWZGBZJPIDQ-LJQANCHMSA-N 1 0 439.538 -1.256 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549527634 1067672491 /nfs/dbraw/zinc/67/24/91/1067672491.db2.gz JNUVLKCVIDPVQD-UHFFFAOYSA-N 1 0 426.495 -1.122 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000549874212 1067688376 /nfs/dbraw/zinc/68/83/76/1067688376.db2.gz FQKDXYLKEUQQKC-UHFFFAOYSA-N 1 0 435.529 -1.099 20 0 IAADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C ZINC000549966184 1067707703 /nfs/dbraw/zinc/70/77/03/1067707703.db2.gz ZKEUIJIQKVFMTR-UHFFFAOYSA-N 1 0 425.530 -1.249 20 0 IAADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000549967558 1067708694 /nfs/dbraw/zinc/70/86/94/1067708694.db2.gz SVBCKLMPWFYWNP-GOSISDBHSA-N 1 0 445.520 -1.065 20 0 IAADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000549967559 1067708617 /nfs/dbraw/zinc/70/86/17/1067708617.db2.gz SVBCKLMPWFYWNP-SFHVURJKSA-N 1 0 445.520 -1.065 20 0 IAADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000549986238 1067722450 /nfs/dbraw/zinc/72/24/50/1067722450.db2.gz YKTTZFFTFXWZLM-UHFFFAOYSA-N 1 0 437.541 -1.103 20 0 IAADRO COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[NH+](C)C)c1 ZINC000550030534 1067735721 /nfs/dbraw/zinc/73/57/21/1067735721.db2.gz KVSMZARDMCDLRD-KRWDZBQOSA-N 1 0 444.496 -1.228 20 0 IAADRO COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[NH+](C)C)c1 ZINC000550030535 1067735830 /nfs/dbraw/zinc/73/58/30/1067735830.db2.gz KVSMZARDMCDLRD-QGZVFWFLSA-N 1 0 444.496 -1.228 20 0 IAADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000550034246 1067736189 /nfs/dbraw/zinc/73/61/89/1067736189.db2.gz BAXRIJCARBMVKF-KRWDZBQOSA-N 1 0 428.497 -1.367 20 0 IAADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000550034265 1067735764 /nfs/dbraw/zinc/73/57/64/1067735764.db2.gz BAXRIJCARBMVKF-QGZVFWFLSA-N 1 0 428.497 -1.367 20 0 IAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000550034953 1067735825 /nfs/dbraw/zinc/73/58/25/1067735825.db2.gz OZQATRXQZHIRPW-UHFFFAOYSA-N 1 0 441.510 -1.188 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000550095056 1067736056 /nfs/dbraw/zinc/73/60/56/1067736056.db2.gz INDLYBSATRNWAG-GOSISDBHSA-N 1 0 439.557 -1.538 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000550095059 1067736526 /nfs/dbraw/zinc/73/65/26/1067736526.db2.gz INDLYBSATRNWAG-SFHVURJKSA-N 1 0 439.557 -1.538 20 0 IAADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000550103915 1067736558 /nfs/dbraw/zinc/73/65/58/1067736558.db2.gz IDBZDMWJGKDJCV-UHFFFAOYSA-N 1 0 435.529 -1.287 20 0 IAADRO CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000550265668 1067737150 /nfs/dbraw/zinc/73/71/50/1067737150.db2.gz XJTMTYITLAIUBA-UHFFFAOYSA-N 1 0 437.541 -1.059 20 0 IAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550291420 1067739559 /nfs/dbraw/zinc/73/95/59/1067739559.db2.gz BPFZMCNEMIYBJT-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550291423 1067739719 /nfs/dbraw/zinc/73/97/19/1067739719.db2.gz BPFZMCNEMIYBJT-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550291819 1067739632 /nfs/dbraw/zinc/73/96/32/1067739632.db2.gz LEJFXNKJBPLYRO-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550291820 1067739466 /nfs/dbraw/zinc/73/94/66/1067739466.db2.gz LEJFXNKJBPLYRO-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)cn2)CC1 ZINC000550293177 1067739656 /nfs/dbraw/zinc/73/96/56/1067739656.db2.gz JIKSWJWPNDVGEB-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000550298337 1067740409 /nfs/dbraw/zinc/74/04/09/1067740409.db2.gz XXDHFZLTQASTSY-UHFFFAOYSA-N 1 0 435.529 -1.288 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000550363909 1067744384 /nfs/dbraw/zinc/74/43/84/1067744384.db2.gz YVGVHBQLRKXXEU-GASCZTMLSA-N 1 0 431.559 -1.305 20 0 IAADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000550363910 1067744412 /nfs/dbraw/zinc/74/44/12/1067744412.db2.gz YVGVHBQLRKXXEU-GJZGRUSLSA-N 1 0 431.559 -1.305 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000550363911 1067744310 /nfs/dbraw/zinc/74/43/10/1067744310.db2.gz YVGVHBQLRKXXEU-HUUCEWRRSA-N 1 0 431.559 -1.305 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](C)CC1 ZINC000550381043 1067744866 /nfs/dbraw/zinc/74/48/66/1067744866.db2.gz FTECKEMFGWLYHJ-INIZCTEOSA-N 1 0 449.643 -1.131 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](C)CC1 ZINC000550381044 1067744798 /nfs/dbraw/zinc/74/47/98/1067744798.db2.gz FTECKEMFGWLYHJ-MRXNPFEDSA-N 1 0 449.643 -1.131 20 0 IAADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000550476571 1067762844 /nfs/dbraw/zinc/76/28/44/1067762844.db2.gz CTRVDXDRJAEHNI-UHFFFAOYSA-N 1 0 444.496 -1.399 20 0 IAADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000550483064 1067762923 /nfs/dbraw/zinc/76/29/23/1067762923.db2.gz YANQDKHUEZYCCJ-UHFFFAOYSA-N 1 0 445.520 -1.106 20 0 IAADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000550495408 1067762904 /nfs/dbraw/zinc/76/29/04/1067762904.db2.gz SJISCPBMNZTHCP-UHFFFAOYSA-N 1 0 444.602 -1.387 20 0 IAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550501398 1067763297 /nfs/dbraw/zinc/76/32/97/1067763297.db2.gz RGXMLHIMJWNWKE-UHFFFAOYSA-N 1 0 433.509 -1.089 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)ccn2)CC1 ZINC000550517189 1067764423 /nfs/dbraw/zinc/76/44/23/1067764423.db2.gz ZPJOHNDXSXIRBK-UHFFFAOYSA-N 1 0 431.541 -1.142 20 0 IAADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)CN3CCOCC3)cn2)CC1 ZINC000550613795 1067799414 /nfs/dbraw/zinc/79/94/14/1067799414.db2.gz JHIRRWXFBJDKAI-IBGZPJMESA-N 1 0 448.568 -1.009 20 0 IAADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)CN3CCOCC3)cn2)CC1 ZINC000550613796 1067799507 /nfs/dbraw/zinc/79/95/07/1067799507.db2.gz JHIRRWXFBJDKAI-LJQANCHMSA-N 1 0 448.568 -1.009 20 0 IAADRO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1O ZINC000550654484 1067800128 /nfs/dbraw/zinc/80/01/28/1067800128.db2.gz PDVFLVDTWSWYAS-UONOGXRCSA-N 1 0 436.513 -1.248 20 0 IAADRO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1O ZINC000550654485 1067800323 /nfs/dbraw/zinc/80/03/23/1067800323.db2.gz PDVFLVDTWSWYAS-ZIAGYGMSSA-N 1 0 436.513 -1.248 20 0 IAADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000550654739 1067800358 /nfs/dbraw/zinc/80/03/58/1067800358.db2.gz ZMHKRMZHJXTGPZ-KRWDZBQOSA-N 1 0 444.602 -1.529 20 0 IAADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000550654784 1067800244 /nfs/dbraw/zinc/80/02/44/1067800244.db2.gz ZMHKRMZHJXTGPZ-QGZVFWFLSA-N 1 0 444.602 -1.529 20 0 IAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550681878 1067801381 /nfs/dbraw/zinc/80/13/81/1067801381.db2.gz VSMNWGQSBFGRGJ-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000550685380 1067801267 /nfs/dbraw/zinc/80/12/67/1067801267.db2.gz OOCZSDJJLHAJIE-UHFFFAOYSA-N 1 0 437.541 -1.247 20 0 IAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550685615 1067801188 /nfs/dbraw/zinc/80/11/88/1067801188.db2.gz QYFVXAHWNVDONP-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000550685616 1067801280 /nfs/dbraw/zinc/80/12/80/1067801280.db2.gz QYFVXAHWNVDONP-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550685907 1067801316 /nfs/dbraw/zinc/80/13/16/1067801316.db2.gz VKYJFGQWGYAGLK-UHFFFAOYSA-N 1 0 438.554 -1.057 20 0 IAADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000550690004 1067801237 /nfs/dbraw/zinc/80/12/37/1067801237.db2.gz ZMEUIGCFLWOLBJ-KRWDZBQOSA-N 1 0 444.602 -1.387 20 0 IAADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000550690005 1067801430 /nfs/dbraw/zinc/80/14/30/1067801430.db2.gz ZMEUIGCFLWOLBJ-QGZVFWFLSA-N 1 0 444.602 -1.387 20 0 IAADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550783000 1067802101 /nfs/dbraw/zinc/80/21/01/1067802101.db2.gz WVQLVCXAHJIZOB-UHFFFAOYSA-N 1 0 425.530 -1.782 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000550784226 1067802789 /nfs/dbraw/zinc/80/27/89/1067802789.db2.gz RVGYBOOHASJKGD-UHFFFAOYSA-N 1 0 437.501 -2.296 20 0 IAADRO O=C(CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000550784845 1067802737 /nfs/dbraw/zinc/80/27/37/1067802737.db2.gz ZAIVFVDWYYPPAL-UHFFFAOYSA-N 1 0 447.540 -1.140 20 0 IAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)no1 ZINC000550785397 1067985788 /nfs/dbraw/zinc/98/57/88/1067985788.db2.gz SGXGZBFNEQMOJW-UHFFFAOYSA-N 1 0 436.513 -0.706 20 0 IAADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000550786124 1067802614 /nfs/dbraw/zinc/80/26/14/1067802614.db2.gz ZUAASCKICDZGRK-UHFFFAOYSA-N 1 0 438.573 -1.867 20 0 IAADRO CN(CC[NH+](C)C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000550799248 1067803372 /nfs/dbraw/zinc/80/33/72/1067803372.db2.gz CSRWVHKHEXPNJZ-UHFFFAOYSA-N 1 0 426.543 -1.330 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000550824714 1067803681 /nfs/dbraw/zinc/80/36/81/1067803681.db2.gz LNCROCHHHRQMOJ-UHFFFAOYSA-N 1 0 432.573 -1.143 20 0 IAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCSC1 ZINC000550835411 1067803987 /nfs/dbraw/zinc/80/39/87/1067803987.db2.gz VMHISTPNTIQDCP-IBGZPJMESA-N 1 0 441.554 -1.931 20 0 IAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCSC1 ZINC000550835416 1067803915 /nfs/dbraw/zinc/80/39/15/1067803915.db2.gz VMHISTPNTIQDCP-LJQANCHMSA-N 1 0 441.554 -1.931 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000550860439 1067804319 /nfs/dbraw/zinc/80/43/19/1067804319.db2.gz SAMLJRUPRKFBMI-UHFFFAOYSA-N 1 0 438.573 -1.868 20 0 IAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)no1 ZINC000550881329 1067804939 /nfs/dbraw/zinc/80/49/39/1067804939.db2.gz YZMZLUGOIFOQKQ-UHFFFAOYSA-N 1 0 449.556 -0.792 20 0 IAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550896859 1067804908 /nfs/dbraw/zinc/80/49/08/1067804908.db2.gz CZMACVBMLKKJLK-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550896860 1067804774 /nfs/dbraw/zinc/80/47/74/1067804774.db2.gz CZMACVBMLKKJLK-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550901332 1067804721 /nfs/dbraw/zinc/80/47/21/1067804721.db2.gz AEKWDKCOMNVCMR-UHFFFAOYSA-N 1 0 438.554 -1.057 20 0 IAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550906626 1067805438 /nfs/dbraw/zinc/80/54/38/1067805438.db2.gz WEHLEJHFLGRBIO-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550908056 1067805467 /nfs/dbraw/zinc/80/54/67/1067805467.db2.gz CKBAIFLQAGMOIK-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550908057 1067805393 /nfs/dbraw/zinc/80/53/93/1067805393.db2.gz CKBAIFLQAGMOIK-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000550911097 1067805245 /nfs/dbraw/zinc/80/52/45/1067805245.db2.gz VUEQNGRHEKNWRG-UHFFFAOYSA-N 1 0 445.520 -1.106 20 0 IAADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000550916637 1067805411 /nfs/dbraw/zinc/80/54/11/1067805411.db2.gz JICCYQYQDSFXDC-UHFFFAOYSA-N 1 0 444.496 -1.399 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000550950268 1067806053 /nfs/dbraw/zinc/80/60/53/1067806053.db2.gz NZQPJZPBUPTLJH-INIZCTEOSA-N 1 0 434.559 -1.276 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000550950269 1067805809 /nfs/dbraw/zinc/80/58/09/1067805809.db2.gz NZQPJZPBUPTLJH-MRXNPFEDSA-N 1 0 434.559 -1.276 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000551089937 1067807319 /nfs/dbraw/zinc/80/73/19/1067807319.db2.gz PXHLVBPRZFBZGL-UHFFFAOYSA-N 1 0 440.508 -1.092 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000551125795 1067807461 /nfs/dbraw/zinc/80/74/61/1067807461.db2.gz ODUHYPJNFUBETN-HNNXBMFYSA-N 1 0 435.616 -1.519 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000551125796 1067807402 /nfs/dbraw/zinc/80/74/02/1067807402.db2.gz ODUHYPJNFUBETN-OAHLLOKOSA-N 1 0 435.616 -1.519 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000551151582 1067807894 /nfs/dbraw/zinc/80/78/94/1067807894.db2.gz JDOKNWVOUZXKDP-KRWDZBQOSA-N 1 0 433.557 -1.181 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000551151601 1067807938 /nfs/dbraw/zinc/80/79/38/1067807938.db2.gz JDOKNWVOUZXKDP-QGZVFWFLSA-N 1 0 433.557 -1.181 20 0 IAADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000551164600 1067807798 /nfs/dbraw/zinc/80/77/98/1067807798.db2.gz NTIGCWPYFCSHAV-UHFFFAOYSA-N 1 0 435.616 -1.375 20 0 IAADRO C[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000551165003 1067807977 /nfs/dbraw/zinc/80/79/77/1067807977.db2.gz NRWDAIZTKGHEBP-UHFFFAOYSA-N 1 0 438.554 -1.140 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C2 ZINC000551284109 1067809261 /nfs/dbraw/zinc/80/92/61/1067809261.db2.gz HLYFFQBUTKIVFS-UHFFFAOYSA-N 1 0 443.508 -1.147 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000551328785 1067809693 /nfs/dbraw/zinc/80/96/93/1067809693.db2.gz IDLMTPXISPOLFX-KRWDZBQOSA-N 1 0 427.546 -1.538 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000551328792 1067809786 /nfs/dbraw/zinc/80/97/86/1067809786.db2.gz IDLMTPXISPOLFX-QGZVFWFLSA-N 1 0 427.546 -1.538 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000551332115 1067809806 /nfs/dbraw/zinc/80/98/06/1067809806.db2.gz HDWTXMWDQBJMLZ-UHFFFAOYSA-N 1 0 425.490 -2.440 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000551480793 1067810940 /nfs/dbraw/zinc/81/09/40/1067810940.db2.gz PVAQWSQMLFPLPE-INIZCTEOSA-N 1 0 435.533 -2.266 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000551480794 1067810899 /nfs/dbraw/zinc/81/08/99/1067810899.db2.gz PVAQWSQMLFPLPE-MRXNPFEDSA-N 1 0 435.533 -2.266 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000551480918 1067810807 /nfs/dbraw/zinc/81/08/07/1067810807.db2.gz WZYGRNNLDAAKCP-INIZCTEOSA-N 1 0 431.541 -1.171 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000551480920 1067810758 /nfs/dbraw/zinc/81/07/58/1067810758.db2.gz WZYGRNNLDAAKCP-MRXNPFEDSA-N 1 0 431.541 -1.171 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551485198 1067810852 /nfs/dbraw/zinc/81/08/52/1067810852.db2.gz PUUXZCQYNVIFMN-GOSISDBHSA-N 1 0 432.573 -1.286 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551485199 1067810984 /nfs/dbraw/zinc/81/09/84/1067810984.db2.gz PUUXZCQYNVIFMN-SFHVURJKSA-N 1 0 432.573 -1.286 20 0 IAADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000551562471 1067982061 /nfs/dbraw/zinc/98/20/61/1067982061.db2.gz FSONJADCIBWCJY-UHFFFAOYSA-N 1 0 438.510 -0.432 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000551601697 1067811224 /nfs/dbraw/zinc/81/12/24/1067811224.db2.gz BUBPFTKKZRSJQZ-UHFFFAOYSA-N 1 0 449.556 -1.100 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000551849148 1067813471 /nfs/dbraw/zinc/81/34/71/1067813471.db2.gz RFYYVBPFWBIEEU-UHFFFAOYSA-N 1 0 435.529 -1.146 20 0 IAADRO CCN(CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)S(C)(=O)=O ZINC000551859172 1067813373 /nfs/dbraw/zinc/81/33/73/1067813373.db2.gz FPDJNQCUWDNHRJ-UHFFFAOYSA-N 1 0 433.575 -1.213 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1=O ZINC000552105935 1067821092 /nfs/dbraw/zinc/82/10/92/1067821092.db2.gz ODXMSWBLRJFCPU-CYBMUJFWSA-N 1 0 432.481 -1.459 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1=O ZINC000552105936 1067820961 /nfs/dbraw/zinc/82/09/61/1067820961.db2.gz ODXMSWBLRJFCPU-ZDUSSCGKSA-N 1 0 432.481 -1.459 20 0 IAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000552202114 1067821570 /nfs/dbraw/zinc/82/15/70/1067821570.db2.gz IFPNRPONGXNDHC-GFCCVEGCSA-N 1 0 429.499 -1.332 20 0 IAADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000552202115 1067821410 /nfs/dbraw/zinc/82/14/10/1067821410.db2.gz IFPNRPONGXNDHC-LBPRGKRZSA-N 1 0 429.499 -1.332 20 0 IAADRO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000552310645 1067822143 /nfs/dbraw/zinc/82/21/43/1067822143.db2.gz DZTXJUGPNHNNNJ-CYBMUJFWSA-N 1 0 427.527 -1.151 20 0 IAADRO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000552310646 1067822238 /nfs/dbraw/zinc/82/22/38/1067822238.db2.gz DZTXJUGPNHNNNJ-ZDUSSCGKSA-N 1 0 427.527 -1.151 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1=O ZINC000552350400 1067821968 /nfs/dbraw/zinc/82/19/68/1067821968.db2.gz AYFKTXSXQKTKRG-CYBMUJFWSA-N 1 0 435.485 -2.271 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1=O ZINC000552350401 1067822077 /nfs/dbraw/zinc/82/20/77/1067822077.db2.gz AYFKTXSXQKTKRG-ZDUSSCGKSA-N 1 0 435.485 -2.271 20 0 IAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000552423891 1067822626 /nfs/dbraw/zinc/82/26/26/1067822626.db2.gz YZJFCNMOOCENNL-UHFFFAOYSA-N 1 0 446.552 -1.126 20 0 IAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000552430566 1067822773 /nfs/dbraw/zinc/82/27/73/1067822773.db2.gz VCSZPCFBUADBMT-GOSISDBHSA-N 1 0 433.509 -1.042 20 0 IAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000552430567 1067822390 /nfs/dbraw/zinc/82/23/90/1067822390.db2.gz VCSZPCFBUADBMT-SFHVURJKSA-N 1 0 433.509 -1.042 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000552470521 1067822694 /nfs/dbraw/zinc/82/26/94/1067822694.db2.gz VLLLQRUXBMCZCN-BZUAXINKSA-N 1 0 443.570 -1.163 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000552470522 1067822785 /nfs/dbraw/zinc/82/27/85/1067822785.db2.gz VLLLQRUXBMCZCN-OAGGEKHMSA-N 1 0 443.570 -1.163 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000552470523 1067822505 /nfs/dbraw/zinc/82/25/05/1067822505.db2.gz VLLLQRUXBMCZCN-OWCLPIDISA-N 1 0 443.570 -1.163 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000552470524 1067822562 /nfs/dbraw/zinc/82/25/62/1067822562.db2.gz VLLLQRUXBMCZCN-XHSDSOJGSA-N 1 0 443.570 -1.163 20 0 IAADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)nc1 ZINC000552555275 1067823670 /nfs/dbraw/zinc/82/36/70/1067823670.db2.gz PIWXOBPGFCDHNE-INIZCTEOSA-N 1 0 445.524 -1.467 20 0 IAADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)nc1 ZINC000552555276 1067823414 /nfs/dbraw/zinc/82/34/14/1067823414.db2.gz PIWXOBPGFCDHNE-MRXNPFEDSA-N 1 0 445.524 -1.467 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000552557748 1067823296 /nfs/dbraw/zinc/82/32/96/1067823296.db2.gz ZDVFCZSGFXIBMN-AWEZNQCLSA-N 1 0 449.599 -1.815 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000552557751 1067823249 /nfs/dbraw/zinc/82/32/49/1067823249.db2.gz ZDVFCZSGFXIBMN-CQSZACIVSA-N 1 0 449.599 -1.815 20 0 IAADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n1 ZINC000552558215 1067822996 /nfs/dbraw/zinc/82/29/96/1067822996.db2.gz CCVDQWBKACCCMR-CABCVRRESA-N 1 0 433.513 -1.265 20 0 IAADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n1 ZINC000552558216 1067823132 /nfs/dbraw/zinc/82/31/32/1067823132.db2.gz CCVDQWBKACCCMR-GJZGRUSLSA-N 1 0 433.513 -1.265 20 0 IAADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)n1 ZINC000552558217 1067823190 /nfs/dbraw/zinc/82/31/90/1067823190.db2.gz CCVDQWBKACCCMR-HUUCEWRRSA-N 1 0 433.513 -1.265 20 0 IAADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)n1 ZINC000552558218 1067822921 /nfs/dbraw/zinc/82/29/21/1067822921.db2.gz CCVDQWBKACCCMR-LSDHHAIUSA-N 1 0 433.513 -1.265 20 0 IAADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)C1 ZINC000552585461 1067823444 /nfs/dbraw/zinc/82/34/44/1067823444.db2.gz OQXQYRMDRFKDSE-KRWDZBQOSA-N 1 0 447.540 -1.424 20 0 IAADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)C1 ZINC000552585462 1067823604 /nfs/dbraw/zinc/82/36/04/1067823604.db2.gz OQXQYRMDRFKDSE-QGZVFWFLSA-N 1 0 447.540 -1.424 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552663940 1067824345 /nfs/dbraw/zinc/82/43/45/1067824345.db2.gz MGOWLCAHPAWCLV-UHFFFAOYSA-N 1 0 438.554 -1.057 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCC(C)CC1 ZINC000552686208 1067824253 /nfs/dbraw/zinc/82/42/53/1067824253.db2.gz DFSQJTQMODUOSL-HNNXBMFYSA-N 1 0 435.529 -1.288 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCC(C)CC1 ZINC000552686209 1067824105 /nfs/dbraw/zinc/82/41/05/1067824105.db2.gz DFSQJTQMODUOSL-OAHLLOKOSA-N 1 0 435.529 -1.288 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552700816 1067824829 /nfs/dbraw/zinc/82/48/29/1067824829.db2.gz HFPDDWLBBUPAFW-KRWDZBQOSA-N 1 0 447.540 -1.142 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552700817 1067824554 /nfs/dbraw/zinc/82/45/54/1067824554.db2.gz HFPDDWLBBUPAFW-QGZVFWFLSA-N 1 0 447.540 -1.142 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000552801666 1067825196 /nfs/dbraw/zinc/82/51/96/1067825196.db2.gz NGOUDILGAYRTNW-HNNXBMFYSA-N 1 0 449.516 -2.597 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000552801667 1067825324 /nfs/dbraw/zinc/82/53/24/1067825324.db2.gz NGOUDILGAYRTNW-OAHLLOKOSA-N 1 0 449.516 -2.597 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000552802135 1067825989 /nfs/dbraw/zinc/82/59/89/1067825989.db2.gz ZDYJXNUXSSRBRA-INIZCTEOSA-N 1 0 433.513 -1.346 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000552802136 1067825862 /nfs/dbraw/zinc/82/58/62/1067825862.db2.gz ZDYJXNUXSSRBRA-MRXNPFEDSA-N 1 0 433.513 -1.346 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000552802873 1067825928 /nfs/dbraw/zinc/82/59/28/1067825928.db2.gz HXRXENFLCYXSIR-INIZCTEOSA-N 1 0 447.540 -1.512 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000552802874 1067826054 /nfs/dbraw/zinc/82/60/54/1067826054.db2.gz HXRXENFLCYXSIR-MRXNPFEDSA-N 1 0 447.540 -1.512 20 0 IAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000552803765 1067825955 /nfs/dbraw/zinc/82/59/55/1067825955.db2.gz VLEYSIFYQFTYTI-KRWDZBQOSA-N 1 0 438.573 -1.286 20 0 IAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000552803766 1067825840 /nfs/dbraw/zinc/82/58/40/1067825840.db2.gz VLEYSIFYQFTYTI-QGZVFWFLSA-N 1 0 438.573 -1.286 20 0 IAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000552805300 1067825255 /nfs/dbraw/zinc/82/52/55/1067825255.db2.gz WWUSJDPDZWXZTE-CABCVRRESA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000552805301 1067825481 /nfs/dbraw/zinc/82/54/81/1067825481.db2.gz WWUSJDPDZWXZTE-GJZGRUSLSA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000552805302 1067825351 /nfs/dbraw/zinc/82/53/51/1067825351.db2.gz WWUSJDPDZWXZTE-HUUCEWRRSA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000552805303 1067825106 /nfs/dbraw/zinc/82/51/06/1067825106.db2.gz WWUSJDPDZWXZTE-LSDHHAIUSA-N 1 0 431.559 -1.415 20 0 IAADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000552850651 1067826032 /nfs/dbraw/zinc/82/60/32/1067826032.db2.gz OHLCDRXSMPCCJR-UHFFFAOYSA-N 1 0 435.529 -1.144 20 0 IAADRO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000552890640 1067826287 /nfs/dbraw/zinc/82/62/87/1067826287.db2.gz KDSODMUFSYOVHD-HNNXBMFYSA-N 1 0 433.513 -1.163 20 0 IAADRO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000552890641 1067826479 /nfs/dbraw/zinc/82/64/79/1067826479.db2.gz KDSODMUFSYOVHD-OAHLLOKOSA-N 1 0 433.513 -1.163 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000552892186 1067826511 /nfs/dbraw/zinc/82/65/11/1067826511.db2.gz WURWIDOXKXCIKL-HNNXBMFYSA-N 1 0 435.529 -1.409 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000552892187 1067826450 /nfs/dbraw/zinc/82/64/50/1067826450.db2.gz WURWIDOXKXCIKL-OAHLLOKOSA-N 1 0 435.529 -1.409 20 0 IAADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)c1=O ZINC000552901614 1067826804 /nfs/dbraw/zinc/82/68/04/1067826804.db2.gz PSIMGUVNMJUTHX-HNNXBMFYSA-N 1 0 433.513 -1.868 20 0 IAADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1=O ZINC000552901615 1067826950 /nfs/dbraw/zinc/82/69/50/1067826950.db2.gz PSIMGUVNMJUTHX-OAHLLOKOSA-N 1 0 433.513 -1.868 20 0 IAADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000552906710 1067826739 /nfs/dbraw/zinc/82/67/39/1067826739.db2.gz RQDXFLROICQMFR-UHFFFAOYSA-N 1 0 432.591 -1.529 20 0 IAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000552942402 1067827389 /nfs/dbraw/zinc/82/73/89/1067827389.db2.gz NXZVZIRLKDNXMT-UHFFFAOYSA-N 1 0 439.557 -1.394 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c(S(N)(=O)=O)c1 ZINC000552974950 1067828054 /nfs/dbraw/zinc/82/80/54/1067828054.db2.gz CZHPBZDODPUXSY-UHFFFAOYSA-N 1 0 433.556 -1.206 20 0 IAADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000553096713 1067829468 /nfs/dbraw/zinc/82/94/68/1067829468.db2.gz AETWSCXPBLVSKF-UHFFFAOYSA-N 1 0 430.575 -1.777 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000553148355 1067829174 /nfs/dbraw/zinc/82/91/74/1067829174.db2.gz NXCSPQBNYYFUTQ-CYBMUJFWSA-N 1 0 438.558 -1.172 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000553148356 1067829382 /nfs/dbraw/zinc/82/93/82/1067829382.db2.gz NXCSPQBNYYFUTQ-ZDUSSCGKSA-N 1 0 438.558 -1.172 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000553149622 1067829659 /nfs/dbraw/zinc/82/96/59/1067829659.db2.gz IWLNEYNGBOKNRF-DLBZAZTESA-N 1 0 427.546 -1.803 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000553149623 1067829403 /nfs/dbraw/zinc/82/94/03/1067829403.db2.gz IWLNEYNGBOKNRF-IAGOWNOFSA-N 1 0 427.546 -1.803 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000553149624 1067829311 /nfs/dbraw/zinc/82/93/11/1067829311.db2.gz IWLNEYNGBOKNRF-IRXDYDNUSA-N 1 0 427.546 -1.803 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000553149625 1067829749 /nfs/dbraw/zinc/82/97/49/1067829749.db2.gz IWLNEYNGBOKNRF-SJORKVTESA-N 1 0 427.546 -1.803 20 0 IAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000553151995 1067829426 /nfs/dbraw/zinc/82/94/26/1067829426.db2.gz WXXPGARZRZSBGN-CABCVRRESA-N 1 0 435.529 -1.086 20 0 IAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000553151996 1067829231 /nfs/dbraw/zinc/82/92/31/1067829231.db2.gz WXXPGARZRZSBGN-GJZGRUSLSA-N 1 0 435.529 -1.086 20 0 IAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000553151997 1067830002 /nfs/dbraw/zinc/83/00/02/1067830002.db2.gz WXXPGARZRZSBGN-HUUCEWRRSA-N 1 0 435.529 -1.086 20 0 IAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000553151998 1067830150 /nfs/dbraw/zinc/83/01/50/1067830150.db2.gz WXXPGARZRZSBGN-LSDHHAIUSA-N 1 0 435.529 -1.086 20 0 IAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CCO1 ZINC000553166778 1067830213 /nfs/dbraw/zinc/83/02/13/1067830213.db2.gz XNOOHVROLGSDKB-MSOLQXFVSA-N 1 0 445.520 -1.027 20 0 IAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CCO1 ZINC000553166780 1067830112 /nfs/dbraw/zinc/83/01/12/1067830112.db2.gz XNOOHVROLGSDKB-QZTJIDSGSA-N 1 0 445.520 -1.027 20 0 IAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000553166781 1067830278 /nfs/dbraw/zinc/83/02/78/1067830278.db2.gz XNOOHVROLGSDKB-ROUUACIJSA-N 1 0 445.520 -1.027 20 0 IAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000553166783 1067829976 /nfs/dbraw/zinc/82/99/76/1067829976.db2.gz XNOOHVROLGSDKB-ZWKOTPCHSA-N 1 0 445.520 -1.027 20 0 IAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000553271911 1067831292 /nfs/dbraw/zinc/83/12/92/1067831292.db2.gz JBXZHAJTLKMCCJ-INIZCTEOSA-N 1 0 433.513 -1.532 20 0 IAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000553271912 1067831163 /nfs/dbraw/zinc/83/11/63/1067831163.db2.gz JBXZHAJTLKMCCJ-MRXNPFEDSA-N 1 0 433.513 -1.532 20 0 IAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000553273227 1067831243 /nfs/dbraw/zinc/83/12/43/1067831243.db2.gz DWQJWTBBQRBWHM-GOSISDBHSA-N 1 0 447.540 -1.142 20 0 IAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000553273228 1067831099 /nfs/dbraw/zinc/83/10/99/1067831099.db2.gz DWQJWTBBQRBWHM-SFHVURJKSA-N 1 0 447.540 -1.142 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000553276518 1067831052 /nfs/dbraw/zinc/83/10/52/1067831052.db2.gz DGEFJQRPEYDMTA-AWEZNQCLSA-N 1 0 437.501 -2.298 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000553276519 1067831343 /nfs/dbraw/zinc/83/13/43/1067831343.db2.gz DGEFJQRPEYDMTA-CQSZACIVSA-N 1 0 437.501 -2.298 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000553278563 1067831823 /nfs/dbraw/zinc/83/18/23/1067831823.db2.gz XZUMRGQEJKSWBT-INIZCTEOSA-N 1 0 443.526 -1.124 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000553278564 1067831721 /nfs/dbraw/zinc/83/17/21/1067831721.db2.gz XZUMRGQEJKSWBT-MRXNPFEDSA-N 1 0 443.526 -1.124 20 0 IAADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000553351212 1067832999 /nfs/dbraw/zinc/83/29/99/1067832999.db2.gz DTEFIEWGCUZMOX-KRWDZBQOSA-N 1 0 444.602 -1.387 20 0 IAADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000553351213 1067832620 /nfs/dbraw/zinc/83/26/20/1067832620.db2.gz DTEFIEWGCUZMOX-QGZVFWFLSA-N 1 0 444.602 -1.387 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553357403 1067832910 /nfs/dbraw/zinc/83/29/10/1067832910.db2.gz MGJDKFWRQSTSCV-AWEZNQCLSA-N 1 0 433.513 -1.392 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553357407 1067833219 /nfs/dbraw/zinc/83/32/19/1067833219.db2.gz MGJDKFWRQSTSCV-CQSZACIVSA-N 1 0 433.513 -1.392 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553370357 1067832742 /nfs/dbraw/zinc/83/27/42/1067832742.db2.gz SPNNKZNEQDYJJW-HNNXBMFYSA-N 1 0 430.575 -1.778 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553370358 1067833159 /nfs/dbraw/zinc/83/31/59/1067833159.db2.gz SPNNKZNEQDYJJW-OAHLLOKOSA-N 1 0 430.575 -1.778 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000553396031 1067833086 /nfs/dbraw/zinc/83/30/86/1067833086.db2.gz VFMGEOIDZIDHBV-CVEARBPZSA-N 1 0 432.543 -1.524 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000553396034 1067832545 /nfs/dbraw/zinc/83/25/45/1067832545.db2.gz VFMGEOIDZIDHBV-HOTGVXAUSA-N 1 0 432.543 -1.524 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000553396035 1067832958 /nfs/dbraw/zinc/83/29/58/1067832958.db2.gz VFMGEOIDZIDHBV-HZPDHXFCSA-N 1 0 432.543 -1.524 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000553396037 1067832833 /nfs/dbraw/zinc/83/28/33/1067832833.db2.gz VFMGEOIDZIDHBV-JKSUJKDBSA-N 1 0 432.543 -1.524 20 0 IAADRO O=C(Cn1cccnc1=O)NCCN(CC[NH+]1CCCCC1)C(=O)Cn1cccnc1=O ZINC000553531533 1067833879 /nfs/dbraw/zinc/83/38/79/1067833879.db2.gz AWTXQMKCKNZULD-UHFFFAOYSA-N 1 0 443.508 -1.069 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000553604455 1067833973 /nfs/dbraw/zinc/83/39/73/1067833973.db2.gz NPPNLOQDZPKADJ-UHFFFAOYSA-N 1 0 434.501 -1.895 20 0 IAADRO CNc1nc(N[C@H](C)C2(S(C)(=O)=O)CC2)nc(N[C@H](C)C2(S(C)(=O)=O)CC2)[nH+]1 ZINC000553635663 1067833847 /nfs/dbraw/zinc/83/38/47/1067833847.db2.gz RAVAARVFWXWPIA-GHMZBOCLSA-N 1 0 432.572 -1.066 20 0 IAADRO CNc1nc(N[C@H](C)C2(S(C)(=O)=O)CC2)nc(N[C@@H](C)C2(S(C)(=O)=O)CC2)[nH+]1 ZINC000553635664 1067833933 /nfs/dbraw/zinc/83/39/33/1067833933.db2.gz RAVAARVFWXWPIA-PHIMTYICSA-N 1 0 432.572 -1.066 20 0 IAADRO CNc1nc(N[C@@H](C)C2(S(C)(=O)=O)CC2)nc(N[C@@H](C)C2(S(C)(=O)=O)CC2)[nH+]1 ZINC000553635665 1067833985 /nfs/dbraw/zinc/83/39/85/1067833985.db2.gz RAVAARVFWXWPIA-QWRGUYRKSA-N 1 0 432.572 -1.066 20 0 IAADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000553700620 1067834516 /nfs/dbraw/zinc/83/45/16/1067834516.db2.gz JGJJZPXBLQMJEB-INIZCTEOSA-N 1 0 435.525 -1.351 20 0 IAADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000553700621 1067834321 /nfs/dbraw/zinc/83/43/21/1067834321.db2.gz JGJJZPXBLQMJEB-MRXNPFEDSA-N 1 0 435.525 -1.351 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000553733844 1067834588 /nfs/dbraw/zinc/83/45/88/1067834588.db2.gz SAICLBZZDRCLGA-DLBZAZTESA-N 1 0 425.530 -1.785 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000553733849 1067834539 /nfs/dbraw/zinc/83/45/39/1067834539.db2.gz SAICLBZZDRCLGA-IAGOWNOFSA-N 1 0 425.530 -1.785 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000553733852 1067834235 /nfs/dbraw/zinc/83/42/35/1067834235.db2.gz SAICLBZZDRCLGA-IRXDYDNUSA-N 1 0 425.530 -1.785 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000553733853 1067834450 /nfs/dbraw/zinc/83/44/50/1067834450.db2.gz SAICLBZZDRCLGA-SJORKVTESA-N 1 0 425.530 -1.785 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000553760083 1067834784 /nfs/dbraw/zinc/83/47/84/1067834784.db2.gz CCKMQNINJPOAMR-UHFFFAOYSA-N 1 0 431.559 -1.461 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000553760634 1067834830 /nfs/dbraw/zinc/83/48/30/1067834830.db2.gz GQQNBWDYAZTLEL-KRWDZBQOSA-N 1 0 437.541 -1.105 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000553760635 1067835022 /nfs/dbraw/zinc/83/50/22/1067835022.db2.gz GQQNBWDYAZTLEL-QGZVFWFLSA-N 1 0 437.541 -1.105 20 0 IAADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1=O ZINC000553760844 1067834407 /nfs/dbraw/zinc/83/44/07/1067834407.db2.gz MJDKTXLJBLPJSS-UHFFFAOYSA-N 1 0 425.530 -1.247 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000553763287 1067834802 /nfs/dbraw/zinc/83/48/02/1067834802.db2.gz IESDTVIKMAPZOY-UHFFFAOYSA-N 1 0 433.513 -1.346 20 0 IAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000553763673 1067834921 /nfs/dbraw/zinc/83/49/21/1067834921.db2.gz OYYJIMKLWWWFFA-UHFFFAOYSA-N 1 0 438.573 -1.286 20 0 IAADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000553897860 1067835459 /nfs/dbraw/zinc/83/54/59/1067835459.db2.gz WQLNJQZEXZXHKI-UHFFFAOYSA-N 1 0 435.529 -1.287 20 0 IAADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000553956475 1067835829 /nfs/dbraw/zinc/83/58/29/1067835829.db2.gz HDBYSCWFHLUULT-UHFFFAOYSA-N 1 0 437.541 -1.059 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000554042047 1067836335 /nfs/dbraw/zinc/83/63/35/1067836335.db2.gz NXGVGFLDTWZBEI-CVEARBPZSA-N 1 0 433.575 -1.753 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000554042048 1067836982 /nfs/dbraw/zinc/83/69/82/1067836982.db2.gz NXGVGFLDTWZBEI-HOTGVXAUSA-N 1 0 433.575 -1.753 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000554042049 1067836810 /nfs/dbraw/zinc/83/68/10/1067836810.db2.gz NXGVGFLDTWZBEI-HZPDHXFCSA-N 1 0 433.575 -1.753 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000554042050 1067836848 /nfs/dbraw/zinc/83/68/48/1067836848.db2.gz NXGVGFLDTWZBEI-JKSUJKDBSA-N 1 0 433.575 -1.753 20 0 IAADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000554042239 1067836716 /nfs/dbraw/zinc/83/67/16/1067836716.db2.gz QGQIPKWCCIORPZ-KRWDZBQOSA-N 1 0 446.618 -1.141 20 0 IAADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000554042240 1067836782 /nfs/dbraw/zinc/83/67/82/1067836782.db2.gz QGQIPKWCCIORPZ-QGZVFWFLSA-N 1 0 446.618 -1.141 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554045008 1067836750 /nfs/dbraw/zinc/83/67/50/1067836750.db2.gz ZOOCJUYEIFRSSI-KRWDZBQOSA-N 1 0 446.556 -1.676 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554045014 1067836923 /nfs/dbraw/zinc/83/69/23/1067836923.db2.gz ZOOCJUYEIFRSSI-QGZVFWFLSA-N 1 0 446.556 -1.676 20 0 IAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000554106583 1067837621 /nfs/dbraw/zinc/83/76/21/1067837621.db2.gz MUHCNEIIJBSRFY-INIZCTEOSA-N 1 0 445.586 -1.026 20 0 IAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000554106584 1067837564 /nfs/dbraw/zinc/83/75/64/1067837564.db2.gz MUHCNEIIJBSRFY-MRXNPFEDSA-N 1 0 445.586 -1.026 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000554125495 1067838121 /nfs/dbraw/zinc/83/81/21/1067838121.db2.gz XZAHWAGCPPIXTH-UHFFFAOYSA-N 1 0 438.573 -1.332 20 0 IAADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)o1 ZINC000554219940 1067839008 /nfs/dbraw/zinc/83/90/08/1067839008.db2.gz ZAKIWIADOCNSOR-UHFFFAOYSA-N 1 0 429.499 -1.235 20 0 IAADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000554258157 1067839205 /nfs/dbraw/zinc/83/92/05/1067839205.db2.gz ODPBVSXNTDHDQS-UHFFFAOYSA-N 1 0 437.541 -1.246 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000554342743 1067839648 /nfs/dbraw/zinc/83/96/48/1067839648.db2.gz KCALREHQQNLVAR-INIZCTEOSA-N 1 0 447.565 -1.238 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000554342746 1067839555 /nfs/dbraw/zinc/83/95/55/1067839555.db2.gz KCALREHQQNLVAR-MRXNPFEDSA-N 1 0 447.565 -1.238 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000554344674 1067839356 /nfs/dbraw/zinc/83/93/56/1067839356.db2.gz WHHHORPGOMTWKZ-CVEARBPZSA-N 1 0 431.559 -1.999 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000554344675 1067839621 /nfs/dbraw/zinc/83/96/21/1067839621.db2.gz WHHHORPGOMTWKZ-HOTGVXAUSA-N 1 0 431.559 -1.999 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000554344676 1067839689 /nfs/dbraw/zinc/83/96/89/1067839689.db2.gz WHHHORPGOMTWKZ-HZPDHXFCSA-N 1 0 431.559 -1.999 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000554344677 1067839490 /nfs/dbraw/zinc/83/94/90/1067839490.db2.gz WHHHORPGOMTWKZ-JKSUJKDBSA-N 1 0 431.559 -1.999 20 0 IAADRO COc1ccnc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)n1 ZINC000554428465 1067840130 /nfs/dbraw/zinc/84/01/30/1067840130.db2.gz PDVWVOIUPPXPIW-UHFFFAOYSA-N 1 0 449.556 -1.360 20 0 IAADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCO1 ZINC000554677328 1067841311 /nfs/dbraw/zinc/84/13/11/1067841311.db2.gz VNURPYMMUWQSDJ-AWEZNQCLSA-N 1 0 431.515 -1.173 20 0 IAADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCO1 ZINC000554677330 1067841379 /nfs/dbraw/zinc/84/13/79/1067841379.db2.gz VNURPYMMUWQSDJ-CQSZACIVSA-N 1 0 431.515 -1.173 20 0 IAADRO C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)NCC[NH+](C)C ZINC000554699508 1067841415 /nfs/dbraw/zinc/84/14/15/1067841415.db2.gz GVIWOXSBNUPYAY-CYBMUJFWSA-N 1 0 427.527 -1.033 20 0 IAADRO C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)NCC[NH+](C)C ZINC000554699510 1067841286 /nfs/dbraw/zinc/84/12/86/1067841286.db2.gz GVIWOXSBNUPYAY-ZDUSSCGKSA-N 1 0 427.527 -1.033 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000554715329 1067841749 /nfs/dbraw/zinc/84/17/49/1067841749.db2.gz OTLBBWLGRVFNLM-DLBZAZTESA-N 1 0 435.525 -1.570 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000554715335 1067841821 /nfs/dbraw/zinc/84/18/21/1067841821.db2.gz OTLBBWLGRVFNLM-IAGOWNOFSA-N 1 0 435.525 -1.570 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000554715337 1067841790 /nfs/dbraw/zinc/84/17/90/1067841790.db2.gz OTLBBWLGRVFNLM-IRXDYDNUSA-N 1 0 435.525 -1.570 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000554715338 1067841832 /nfs/dbraw/zinc/84/18/32/1067841832.db2.gz OTLBBWLGRVFNLM-SJORKVTESA-N 1 0 435.525 -1.570 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000555098537 1067844591 /nfs/dbraw/zinc/84/45/91/1067844591.db2.gz JHYGNKTZQUSCMA-UHFFFAOYSA-N 1 0 431.515 -1.181 20 0 IAADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000555416382 1067845635 /nfs/dbraw/zinc/84/56/35/1067845635.db2.gz QXAWNWUEUGPHEJ-UHFFFAOYSA-N 1 0 437.522 -1.299 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000555648379 1067847595 /nfs/dbraw/zinc/84/75/95/1067847595.db2.gz RSWGYKXVRHXAAV-UHFFFAOYSA-N 1 0 435.529 -1.144 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555689370 1067847508 /nfs/dbraw/zinc/84/75/08/1067847508.db2.gz BXGGFQMBVJRXNF-KRWDZBQOSA-N 1 0 426.481 -1.265 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555689371 1067847712 /nfs/dbraw/zinc/84/77/12/1067847712.db2.gz BXGGFQMBVJRXNF-QGZVFWFLSA-N 1 0 426.481 -1.265 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000555732192 1067848547 /nfs/dbraw/zinc/84/85/47/1067848547.db2.gz YIWLXJPLAZUMGA-HNNXBMFYSA-N 1 0 436.600 -1.046 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000555732193 1067848655 /nfs/dbraw/zinc/84/86/55/1067848655.db2.gz YIWLXJPLAZUMGA-OAHLLOKOSA-N 1 0 436.600 -1.046 20 0 IAADRO C[N@H+](CCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000555757030 1067848509 /nfs/dbraw/zinc/84/85/09/1067848509.db2.gz CVARHGDALYEOMB-UHFFFAOYSA-N 1 0 428.497 -1.018 20 0 IAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866092 1067849141 /nfs/dbraw/zinc/84/91/41/1067849141.db2.gz DTHZRKPNSUXZJI-GOSISDBHSA-N 1 0 434.541 -1.399 20 0 IAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866095 1067849227 /nfs/dbraw/zinc/84/92/27/1067849227.db2.gz DTHZRKPNSUXZJI-SFHVURJKSA-N 1 0 434.541 -1.399 20 0 IAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555866174 1067849031 /nfs/dbraw/zinc/84/90/31/1067849031.db2.gz AQXVEQHQMLHIHE-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000555965177 1067850751 /nfs/dbraw/zinc/85/07/51/1067850751.db2.gz WSQAGEFDCQWNFR-UHFFFAOYSA-N 1 0 432.573 -1.143 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)ccn2)CC1 ZINC000555984336 1067851085 /nfs/dbraw/zinc/85/10/85/1067851085.db2.gz BRBQSNIOJNLWSG-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)ccn2)CC1 ZINC000555991715 1067851149 /nfs/dbraw/zinc/85/11/49/1067851149.db2.gz CBZJXCAUCBQEFJ-UHFFFAOYSA-N 1 0 443.552 -1.128 20 0 IAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555997007 1067851060 /nfs/dbraw/zinc/85/10/60/1067851060.db2.gz HMQXXETVNMFGKV-GOSISDBHSA-N 1 0 434.541 -1.399 20 0 IAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555997008 1067851359 /nfs/dbraw/zinc/85/13/59/1067851359.db2.gz HMQXXETVNMFGKV-SFHVURJKSA-N 1 0 434.541 -1.399 20 0 IAADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000556064056 1067929481 /nfs/dbraw/zinc/92/94/81/1067929481.db2.gz VKQQQOZHYMHOSP-UHFFFAOYSA-N 1 0 444.602 -1.529 20 0 IAADRO O=C(CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000556168028 1067930845 /nfs/dbraw/zinc/93/08/45/1067930845.db2.gz BLMLLRBFONTWKU-UHFFFAOYSA-N 1 0 425.530 -1.782 20 0 IAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000556170055 1067930744 /nfs/dbraw/zinc/93/07/44/1067930744.db2.gz FANWVNZFZKFLSK-KRWDZBQOSA-N 1 0 446.570 -1.132 20 0 IAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000556170056 1067930801 /nfs/dbraw/zinc/93/08/01/1067930801.db2.gz FANWVNZFZKFLSK-QGZVFWFLSA-N 1 0 446.570 -1.132 20 0 IAADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000556172410 1067931173 /nfs/dbraw/zinc/93/11/73/1067931173.db2.gz XOBVUOYJZOZVJX-UHFFFAOYSA-N 1 0 438.573 -1.867 20 0 IAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000556176113 1067931294 /nfs/dbraw/zinc/93/12/94/1067931294.db2.gz SDJQTQQGRJFCSB-UHFFFAOYSA-N 1 0 436.557 -1.530 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CC[NH+](CC3CC3)CC1)C2 ZINC000556245174 1067932033 /nfs/dbraw/zinc/93/20/33/1067932033.db2.gz FSKPWAARVKZYGQ-UHFFFAOYSA-N 1 0 433.513 -1.534 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000556246402 1067932013 /nfs/dbraw/zinc/93/20/13/1067932013.db2.gz OEXBCBORSQXOAZ-INIZCTEOSA-N 1 0 442.586 -1.777 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000556246406 1067932051 /nfs/dbraw/zinc/93/20/51/1067932051.db2.gz OEXBCBORSQXOAZ-MRXNPFEDSA-N 1 0 442.586 -1.777 20 0 IAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556266666 1067931983 /nfs/dbraw/zinc/93/19/83/1067931983.db2.gz NASNHOMEKIQHII-UHFFFAOYSA-N 1 0 431.559 -1.459 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000556270954 1067932388 /nfs/dbraw/zinc/93/23/88/1067932388.db2.gz ISHOEMOUCRGPSR-UHFFFAOYSA-N 1 0 431.515 -1.267 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000556356630 1067625362 /nfs/dbraw/zinc/62/53/62/1067625362.db2.gz NEBWMKVBRYVSSM-KRWDZBQOSA-N 1 0 444.602 -1.529 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000556356631 1067932791 /nfs/dbraw/zinc/93/27/91/1067932791.db2.gz NEBWMKVBRYVSSM-QGZVFWFLSA-N 1 0 444.602 -1.529 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556627947 1067935854 /nfs/dbraw/zinc/93/58/54/1067935854.db2.gz XMOJRPXXXLGDAU-INIZCTEOSA-N 1 0 447.540 -1.348 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556627951 1067935871 /nfs/dbraw/zinc/93/58/71/1067935871.db2.gz XMOJRPXXXLGDAU-MRXNPFEDSA-N 1 0 447.540 -1.348 20 0 IAADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000556637810 1067936267 /nfs/dbraw/zinc/93/62/67/1067936267.db2.gz HECQCWSXPURXBV-KRWDZBQOSA-N 1 0 428.497 -1.367 20 0 IAADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000556637822 1067936211 /nfs/dbraw/zinc/93/62/11/1067936211.db2.gz HECQCWSXPURXBV-QGZVFWFLSA-N 1 0 428.497 -1.367 20 0 IAADRO CCN(CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000556647964 1067936661 /nfs/dbraw/zinc/93/66/61/1067936661.db2.gz CZPUKVIFEVRNPV-UHFFFAOYSA-N 1 0 431.559 -1.459 20 0 IAADRO CCN(CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000556648573 1067936602 /nfs/dbraw/zinc/93/66/02/1067936602.db2.gz GNNAVARKYHOZIK-HNNXBMFYSA-N 1 0 431.559 -1.461 20 0 IAADRO CCN(CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC000556648579 1067936622 /nfs/dbraw/zinc/93/66/22/1067936622.db2.gz GNNAVARKYHOZIK-OAHLLOKOSA-N 1 0 431.559 -1.461 20 0 IAADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000556856965 1067938711 /nfs/dbraw/zinc/93/87/11/1067938711.db2.gz ZFXFRNFSSHKOSO-UHFFFAOYSA-N 1 0 433.513 -1.117 20 0 IAADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NCC[NH+](C)C ZINC000556907321 1067938620 /nfs/dbraw/zinc/93/86/20/1067938620.db2.gz SFUSAOSFTSOUCB-CYBMUJFWSA-N 1 0 425.511 -1.397 20 0 IAADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NCC[NH+](C)C ZINC000556907322 1067938701 /nfs/dbraw/zinc/93/87/01/1067938701.db2.gz SFUSAOSFTSOUCB-ZDUSSCGKSA-N 1 0 425.511 -1.397 20 0 IAADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000557000193 1067939597 /nfs/dbraw/zinc/93/95/97/1067939597.db2.gz HBKXLUSVRDVHCH-GFCCVEGCSA-N 1 0 439.494 -1.436 20 0 IAADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000557000197 1067939640 /nfs/dbraw/zinc/93/96/40/1067939640.db2.gz HBKXLUSVRDVHCH-LBPRGKRZSA-N 1 0 439.494 -1.436 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000557104747 1068182980 /nfs/dbraw/zinc/18/29/80/1068182980.db2.gz OWIQLKGVVXLJGU-UHFFFAOYSA-N 1 0 443.552 -1.128 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000557105753 1068183066 /nfs/dbraw/zinc/18/30/66/1068183066.db2.gz BNQFKUDQURVFFP-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000557105995 1068183167 /nfs/dbraw/zinc/18/31/67/1068183167.db2.gz FRZLFTPUVWVSRR-UHFFFAOYSA-N 1 0 431.541 -1.142 20 0 IAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000557106120 1068183255 /nfs/dbraw/zinc/18/32/55/1068183255.db2.gz IHHXBOBGFLOQGM-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000557108571 1068183209 /nfs/dbraw/zinc/18/32/09/1068183209.db2.gz RHIBPHCRCJNMGY-UHFFFAOYSA-N 1 0 426.481 -1.214 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000557121735 1068183029 /nfs/dbraw/zinc/18/30/29/1068183029.db2.gz XYOVWSKVEKUJKK-KRWDZBQOSA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000557121738 1068183052 /nfs/dbraw/zinc/18/30/52/1068183052.db2.gz XYOVWSKVEKUJKK-QGZVFWFLSA-N 1 0 437.541 -1.247 20 0 IAADRO COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000557177085 1068183866 /nfs/dbraw/zinc/18/38/66/1068183866.db2.gz AYMAKHBSSGNDFG-UHFFFAOYSA-N 1 0 433.509 -1.089 20 0 IAADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255464 1068184660 /nfs/dbraw/zinc/18/46/60/1068184660.db2.gz NIWJPGXUBPBSJD-CVEARBPZSA-N 1 0 425.530 -1.214 20 0 IAADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255533 1068184412 /nfs/dbraw/zinc/18/44/12/1068184412.db2.gz NIWJPGXUBPBSJD-HZPDHXFCSA-N 1 0 425.530 -1.214 20 0 IAADRO COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255535 1068184727 /nfs/dbraw/zinc/18/47/27/1068184727.db2.gz NIWJPGXUBPBSJD-JKSUJKDBSA-N 1 0 425.530 -1.214 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000557258856 1068184704 /nfs/dbraw/zinc/18/47/04/1068184704.db2.gz GUSXTJULOHPEJQ-KRWDZBQOSA-N 1 0 446.556 -1.582 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C1 ZINC000557258864 1068184750 /nfs/dbraw/zinc/18/47/50/1068184750.db2.gz GUSXTJULOHPEJQ-QGZVFWFLSA-N 1 0 446.556 -1.582 20 0 IAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557261487 1068184460 /nfs/dbraw/zinc/18/44/60/1068184460.db2.gz KGFGDNBPWQUCEQ-CVEARBPZSA-N 1 0 436.557 -1.499 20 0 IAADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557261495 1068184591 /nfs/dbraw/zinc/18/45/91/1068184591.db2.gz KGFGDNBPWQUCEQ-HOTGVXAUSA-N 1 0 436.557 -1.499 20 0 IAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557261498 1068184816 /nfs/dbraw/zinc/18/48/16/1068184816.db2.gz KGFGDNBPWQUCEQ-HZPDHXFCSA-N 1 0 436.557 -1.499 20 0 IAADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557261501 1068184610 /nfs/dbraw/zinc/18/46/10/1068184610.db2.gz KGFGDNBPWQUCEQ-JKSUJKDBSA-N 1 0 436.557 -1.499 20 0 IAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557263948 1068184769 /nfs/dbraw/zinc/18/47/69/1068184769.db2.gz VTRNPCYXBHUVCU-DLBZAZTESA-N 1 0 438.573 -1.251 20 0 IAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557263956 1068184561 /nfs/dbraw/zinc/18/45/61/1068184561.db2.gz VTRNPCYXBHUVCU-IAGOWNOFSA-N 1 0 438.573 -1.251 20 0 IAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557263957 1068185201 /nfs/dbraw/zinc/18/52/01/1068185201.db2.gz VTRNPCYXBHUVCU-IRXDYDNUSA-N 1 0 438.573 -1.251 20 0 IAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557263959 1068185116 /nfs/dbraw/zinc/18/51/16/1068185116.db2.gz VTRNPCYXBHUVCU-SJORKVTESA-N 1 0 438.573 -1.251 20 0 IAADRO COc1cc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)ncn1 ZINC000557264287 1068185211 /nfs/dbraw/zinc/18/52/11/1068185211.db2.gz XPDUMHKYTUIBKM-HNNXBMFYSA-N 1 0 433.513 -1.163 20 0 IAADRO COc1cc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)ncn1 ZINC000557264288 1068185164 /nfs/dbraw/zinc/18/51/64/1068185164.db2.gz XPDUMHKYTUIBKM-OAHLLOKOSA-N 1 0 433.513 -1.163 20 0 IAADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557268541 1068185284 /nfs/dbraw/zinc/18/52/84/1068185284.db2.gz PTTSDECMZGRACN-HNNXBMFYSA-N 1 0 445.524 -1.467 20 0 IAADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557268542 1068185231 /nfs/dbraw/zinc/18/52/31/1068185231.db2.gz PTTSDECMZGRACN-OAHLLOKOSA-N 1 0 445.524 -1.467 20 0 IAADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000557381501 1068187636 /nfs/dbraw/zinc/18/76/36/1068187636.db2.gz KMSUUJFMDUIRQJ-INIZCTEOSA-N 1 0 432.591 -1.531 20 0 IAADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000557381503 1068187261 /nfs/dbraw/zinc/18/72/61/1068187261.db2.gz KMSUUJFMDUIRQJ-MRXNPFEDSA-N 1 0 432.591 -1.531 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C2 ZINC000557395478 1068187560 /nfs/dbraw/zinc/18/75/60/1068187560.db2.gz QNCKHQLKLZTBKZ-UHFFFAOYSA-N 1 0 435.529 -1.288 20 0 IAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557402917 1068187430 /nfs/dbraw/zinc/18/74/30/1068187430.db2.gz HDECVKSQYDJYMM-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557402921 1068187291 /nfs/dbraw/zinc/18/72/91/1068187291.db2.gz HDECVKSQYDJYMM-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000557414544 1068187325 /nfs/dbraw/zinc/18/73/25/1068187325.db2.gz HKWQZZXEBGFMOE-CVEARBPZSA-N 1 0 445.586 -1.026 20 0 IAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000557414545 1068187577 /nfs/dbraw/zinc/18/75/77/1068187577.db2.gz HKWQZZXEBGFMOE-HOTGVXAUSA-N 1 0 445.586 -1.026 20 0 IAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000557414546 1068187622 /nfs/dbraw/zinc/18/76/22/1068187622.db2.gz HKWQZZXEBGFMOE-HZPDHXFCSA-N 1 0 445.586 -1.026 20 0 IAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000557414547 1068187403 /nfs/dbraw/zinc/18/74/03/1068187403.db2.gz HKWQZZXEBGFMOE-JKSUJKDBSA-N 1 0 445.586 -1.026 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000557414995 1068187500 /nfs/dbraw/zinc/18/75/00/1068187500.db2.gz PJLBPBMMMJMRNZ-KRWDZBQOSA-N 1 0 436.557 -1.532 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000557414996 1068187592 /nfs/dbraw/zinc/18/75/92/1068187592.db2.gz PJLBPBMMMJMRNZ-QGZVFWFLSA-N 1 0 436.557 -1.532 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000557415144 1068187608 /nfs/dbraw/zinc/18/76/08/1068187608.db2.gz NUTASYCLZYVFRF-DLBZAZTESA-N 1 0 437.541 -1.105 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000557415145 1068187447 /nfs/dbraw/zinc/18/74/47/1068187447.db2.gz NUTASYCLZYVFRF-IAGOWNOFSA-N 1 0 437.541 -1.105 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000557415146 1068187347 /nfs/dbraw/zinc/18/73/47/1068187347.db2.gz NUTASYCLZYVFRF-IRXDYDNUSA-N 1 0 437.541 -1.105 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000557415147 1068187470 /nfs/dbraw/zinc/18/74/70/1068187470.db2.gz NUTASYCLZYVFRF-SJORKVTESA-N 1 0 437.541 -1.105 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000557492314 1068188117 /nfs/dbraw/zinc/18/81/17/1068188117.db2.gz BATPHAOCIGFWJE-MSOLQXFVSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000557492324 1068188241 /nfs/dbraw/zinc/18/82/41/1068188241.db2.gz BATPHAOCIGFWJE-QZTJIDSGSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000557492326 1068188074 /nfs/dbraw/zinc/18/80/74/1068188074.db2.gz BATPHAOCIGFWJE-ROUUACIJSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000557492327 1068188189 /nfs/dbraw/zinc/18/81/89/1068188189.db2.gz BATPHAOCIGFWJE-ZWKOTPCHSA-N 1 0 439.557 -1.395 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000557493118 1067628094 /nfs/dbraw/zinc/62/80/94/1067628094.db2.gz JOKCAKYNORNOIF-INIZCTEOSA-N 1 0 439.513 -2.257 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000557493119 1068188142 /nfs/dbraw/zinc/18/81/42/1068188142.db2.gz JOKCAKYNORNOIF-MRXNPFEDSA-N 1 0 439.513 -2.257 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000557493663 1068188213 /nfs/dbraw/zinc/18/82/13/1068188213.db2.gz RXONBKXDQHOASU-DLBZAZTESA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000557493664 1068188253 /nfs/dbraw/zinc/18/82/53/1068188253.db2.gz RXONBKXDQHOASU-IAGOWNOFSA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000557493665 1068188155 /nfs/dbraw/zinc/18/81/55/1068188155.db2.gz RXONBKXDQHOASU-IRXDYDNUSA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000557493666 1068188022 /nfs/dbraw/zinc/18/80/22/1068188022.db2.gz RXONBKXDQHOASU-SJORKVTESA-N 1 0 446.570 -1.134 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000557494208 1068188205 /nfs/dbraw/zinc/18/82/05/1068188205.db2.gz FMYSUAZKETYTNU-KRWDZBQOSA-N 1 0 425.530 -1.784 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000557494210 1068188102 /nfs/dbraw/zinc/18/81/02/1068188102.db2.gz FMYSUAZKETYTNU-QGZVFWFLSA-N 1 0 425.530 -1.784 20 0 IAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000557494851 1068188991 /nfs/dbraw/zinc/18/89/91/1068188991.db2.gz OVZULYUXDMBNMC-KRWDZBQOSA-N 1 0 425.530 -1.784 20 0 IAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000557494852 1068188942 /nfs/dbraw/zinc/18/89/42/1068188942.db2.gz OVZULYUXDMBNMC-QGZVFWFLSA-N 1 0 425.530 -1.784 20 0 IAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000557496264 1068189025 /nfs/dbraw/zinc/18/90/25/1068189025.db2.gz ADNATUGJKWLPHG-UHFFFAOYSA-N 1 0 439.557 -1.394 20 0 IAADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000557506817 1068189016 /nfs/dbraw/zinc/18/90/16/1068189016.db2.gz OVDWOIHGLMUGRJ-KRWDZBQOSA-N 1 0 437.541 -1.105 20 0 IAADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000557506818 1068188793 /nfs/dbraw/zinc/18/87/93/1068188793.db2.gz OVDWOIHGLMUGRJ-QGZVFWFLSA-N 1 0 437.541 -1.105 20 0 IAADRO O=S1(=O)CCO[C@@H](CNc2cc(C3CC3)[nH+]c(NC[C@H]3CS(=O)(=O)CCO3)n2)C1 ZINC000557616549 1068189275 /nfs/dbraw/zinc/18/92/75/1068189275.db2.gz PWLYNGVQDNHXPX-KBPBESRZSA-N 1 0 446.551 -1.351 20 0 IAADRO O=S1(=O)CCO[C@H](CNc2cc(C3CC3)[nH+]c(NC[C@H]3CS(=O)(=O)CCO3)n2)C1 ZINC000557616550 1068189179 /nfs/dbraw/zinc/18/91/79/1068189179.db2.gz PWLYNGVQDNHXPX-KGLIPLIRSA-N 1 0 446.551 -1.351 20 0 IAADRO O=S1(=O)CCO[C@H](CNc2nc(NC[C@H]3CS(=O)(=O)CCO3)cc(C3CC3)[nH+]2)C1 ZINC000557616551 1068189459 /nfs/dbraw/zinc/18/94/59/1068189459.db2.gz PWLYNGVQDNHXPX-UONOGXRCSA-N 1 0 446.551 -1.351 20 0 IAADRO O=S1(=O)CCO[C@H](CNc2cc(C3CC3)[nH+]c(NC[C@@H]3CS(=O)(=O)CCO3)n2)C1 ZINC000557616552 1068189550 /nfs/dbraw/zinc/18/95/50/1068189550.db2.gz PWLYNGVQDNHXPX-ZIAGYGMSSA-N 1 0 446.551 -1.351 20 0 IAADRO NC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000557638075 1068189505 /nfs/dbraw/zinc/18/95/05/1068189505.db2.gz LEPMVBPTMBTJHY-DLBZAZTESA-N 1 0 431.493 -1.287 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)C1 ZINC000557638091 1068189492 /nfs/dbraw/zinc/18/94/92/1068189492.db2.gz LEPMVBPTMBTJHY-IAGOWNOFSA-N 1 0 431.493 -1.287 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)C1 ZINC000557638094 1068189356 /nfs/dbraw/zinc/18/93/56/1068189356.db2.gz LEPMVBPTMBTJHY-IRXDYDNUSA-N 1 0 431.493 -1.287 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)C1 ZINC000557638097 1068189293 /nfs/dbraw/zinc/18/92/93/1068189293.db2.gz LEPMVBPTMBTJHY-SJORKVTESA-N 1 0 431.493 -1.287 20 0 IAADRO Cn1cnn(CC(=O)NCCN(CC[NH+]2CCCCC2)C(=O)Cn2ncn(C)c2=O)c1=O ZINC000557646168 1068189981 /nfs/dbraw/zinc/18/99/81/1068189981.db2.gz MOZBLPHRJFSPHE-UHFFFAOYSA-N 1 0 449.516 -2.392 20 0 IAADRO CNS(=O)(=O)CC(=O)NCCN(CC[NH+]1CCCCC1)C(=O)CS(=O)(=O)NC ZINC000557646259 1068190019 /nfs/dbraw/zinc/19/00/19/1068190019.db2.gz NMHMENAKNXLIAY-UHFFFAOYSA-N 1 0 441.576 -2.485 20 0 IAADRO COCC(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000557704464 1068190148 /nfs/dbraw/zinc/19/01/48/1068190148.db2.gz ZYWCMTPTCAMUFJ-UHFFFAOYSA-N 1 0 447.540 -1.188 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000557742870 1068190656 /nfs/dbraw/zinc/19/06/56/1068190656.db2.gz RJKSIWJVCFMNNC-UHFFFAOYSA-N 1 0 444.602 -1.387 20 0 IAADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000557773466 1068190865 /nfs/dbraw/zinc/19/08/65/1068190865.db2.gz IGMITOBVNLAGDA-UHFFFAOYSA-N 1 0 449.643 -1.034 20 0 IAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000557773617 1068190583 /nfs/dbraw/zinc/19/05/83/1068190583.db2.gz JLJJCLLOOASTSR-INIZCTEOSA-N 1 0 447.627 -1.280 20 0 IAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000557773618 1068190836 /nfs/dbraw/zinc/19/08/36/1068190836.db2.gz JLJJCLLOOASTSR-MRXNPFEDSA-N 1 0 447.627 -1.280 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1 ZINC000557955632 1068192055 /nfs/dbraw/zinc/19/20/55/1068192055.db2.gz MFAWOZKAFBKUMT-DLBZAZTESA-N 1 0 428.530 -1.064 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1 ZINC000557955633 1068192087 /nfs/dbraw/zinc/19/20/87/1068192087.db2.gz MFAWOZKAFBKUMT-IAGOWNOFSA-N 1 0 428.530 -1.064 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000557955634 1068192098 /nfs/dbraw/zinc/19/20/98/1068192098.db2.gz MFAWOZKAFBKUMT-IRXDYDNUSA-N 1 0 428.530 -1.064 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1 ZINC000557955635 1068192043 /nfs/dbraw/zinc/19/20/43/1068192043.db2.gz MFAWOZKAFBKUMT-SJORKVTESA-N 1 0 428.530 -1.064 20 0 IAADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000558005848 1068192668 /nfs/dbraw/zinc/19/26/68/1068192668.db2.gz MZKBPJHANJIHFX-UHFFFAOYSA-N 1 0 438.573 -1.332 20 0 IAADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000558134478 1068193159 /nfs/dbraw/zinc/19/31/59/1068193159.db2.gz ATMHNUMAPAIVCZ-UHFFFAOYSA-N 1 0 437.541 -1.059 20 0 IAADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000558212660 1068193957 /nfs/dbraw/zinc/19/39/57/1068193957.db2.gz JBBZUKMTLUEDFA-UHFFFAOYSA-N 1 0 445.586 -1.167 20 0 IAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000558215969 1068194044 /nfs/dbraw/zinc/19/40/44/1068194044.db2.gz FBZRADQMTCXBNP-INIZCTEOSA-N 1 0 433.575 -1.753 20 0 IAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000558216309 1068194649 /nfs/dbraw/zinc/19/46/49/1068194649.db2.gz FBZRADQMTCXBNP-MRXNPFEDSA-N 1 0 433.575 -1.753 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000558216406 1068193999 /nfs/dbraw/zinc/19/39/99/1068193999.db2.gz FBPMCEDPJYMSKK-INIZCTEOSA-N 1 0 445.590 -3.015 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000558216422 1068194471 /nfs/dbraw/zinc/19/44/71/1068194471.db2.gz FBPMCEDPJYMSKK-MRXNPFEDSA-N 1 0 445.590 -3.015 20 0 IAADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000558218302 1068194663 /nfs/dbraw/zinc/19/46/63/1068194663.db2.gz NKDAXCGFXXZGCJ-CEXWTWQISA-N 1 0 436.601 -1.003 20 0 IAADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000558218306 1068194618 /nfs/dbraw/zinc/19/46/18/1068194618.db2.gz NKDAXCGFXXZGCJ-GUDVDZBRSA-N 1 0 436.601 -1.003 20 0 IAADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000558218308 1068194673 /nfs/dbraw/zinc/19/46/73/1068194673.db2.gz NKDAXCGFXXZGCJ-OTWHNJEPSA-N 1 0 436.601 -1.003 20 0 IAADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000558218309 1068194502 /nfs/dbraw/zinc/19/45/02/1068194502.db2.gz NKDAXCGFXXZGCJ-QRVBRYPASA-N 1 0 436.601 -1.003 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000558218896 1068194634 /nfs/dbraw/zinc/19/46/34/1068194634.db2.gz QYSCXBTXGCKUSS-IBGZPJMESA-N 1 0 430.553 -1.191 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000558218897 1068194550 /nfs/dbraw/zinc/19/45/50/1068194550.db2.gz QYSCXBTXGCKUSS-LJQANCHMSA-N 1 0 430.553 -1.191 20 0 IAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000558342778 1068195430 /nfs/dbraw/zinc/19/54/30/1068195430.db2.gz HEASWUQINQFIHJ-CABCVRRESA-N 1 0 433.513 -1.380 20 0 IAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000558342821 1068195420 /nfs/dbraw/zinc/19/54/20/1068195420.db2.gz HEASWUQINQFIHJ-GJZGRUSLSA-N 1 0 433.513 -1.380 20 0 IAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000558342823 1068195275 /nfs/dbraw/zinc/19/52/75/1068195275.db2.gz HEASWUQINQFIHJ-HUUCEWRRSA-N 1 0 433.513 -1.380 20 0 IAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)CC2 ZINC000558342826 1068195402 /nfs/dbraw/zinc/19/54/02/1068195402.db2.gz HEASWUQINQFIHJ-LSDHHAIUSA-N 1 0 433.513 -1.380 20 0 IAADRO Cn1c2ncn(CCC(=O)NCC(=O)NCC[NH+]3CCCCCC3)c2c(=O)n(C)c1=O ZINC000558347970 1068195367 /nfs/dbraw/zinc/19/53/67/1068195367.db2.gz DCUJQELNGZIQKV-UHFFFAOYSA-N 1 0 433.513 -1.068 20 0 IAADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000558358431 1068195383 /nfs/dbraw/zinc/19/53/83/1068195383.db2.gz AQUDMSYNQFDFIA-HNNXBMFYSA-N 1 0 435.529 -1.144 20 0 IAADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000558358435 1068195394 /nfs/dbraw/zinc/19/53/94/1068195394.db2.gz AQUDMSYNQFDFIA-OAHLLOKOSA-N 1 0 435.529 -1.144 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000558438198 1068196089 /nfs/dbraw/zinc/19/60/89/1068196089.db2.gz LSJHBSDMSLSUIW-APWZRJJASA-N 1 0 447.540 -1.131 20 0 IAADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000558452839 1068195959 /nfs/dbraw/zinc/19/59/59/1068195959.db2.gz SKJTXODQCIYFBH-MRXNPFEDSA-N 1 0 432.591 -1.531 20 0 IAADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000559141856 1068196734 /nfs/dbraw/zinc/19/67/34/1068196734.db2.gz ABUDJDRPTNWQLM-UHFFFAOYSA-N 1 0 439.538 -1.005 20 0 IAADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000559352178 1068197318 /nfs/dbraw/zinc/19/73/18/1068197318.db2.gz FZQQLRMAOKQAGB-UHFFFAOYSA-N 1 0 429.499 -1.331 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000559375570 1068197568 /nfs/dbraw/zinc/19/75/68/1068197568.db2.gz XIQKUFDDIWVRKV-INIZCTEOSA-N 1 0 443.508 -1.106 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000559375571 1068197516 /nfs/dbraw/zinc/19/75/16/1068197516.db2.gz XIQKUFDDIWVRKV-MRXNPFEDSA-N 1 0 443.508 -1.106 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C2 ZINC000559384126 1068197435 /nfs/dbraw/zinc/19/74/35/1068197435.db2.gz RTDBHISAYCVLCS-UHFFFAOYSA-N 1 0 435.529 -1.144 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000559397793 1068197559 /nfs/dbraw/zinc/19/75/59/1068197559.db2.gz SAIMZNIMRPZNND-UHFFFAOYSA-N 1 0 444.602 -1.387 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000559466620 1068198119 /nfs/dbraw/zinc/19/81/19/1068198119.db2.gz UAPIWJPRZJZUOV-UHFFFAOYSA-N 1 0 444.602 -1.385 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCNC(=O)c3cnccn3)cn2)CC1 ZINC000559560316 1068198789 /nfs/dbraw/zinc/19/87/89/1068198789.db2.gz IZKMEHQLJUENMT-UHFFFAOYSA-N 1 0 426.481 -1.214 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)cn2)CC1 ZINC000559561739 1068198957 /nfs/dbraw/zinc/19/89/57/1068198957.db2.gz UVJJPYFUHQZGFH-UHFFFAOYSA-N 1 0 443.552 -1.128 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000559576190 1068198879 /nfs/dbraw/zinc/19/88/79/1068198879.db2.gz DCHYDCNFRXDENZ-UHFFFAOYSA-N 1 0 442.586 -1.634 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000559655116 1068200229 /nfs/dbraw/zinc/20/02/29/1068200229.db2.gz GXLWSKFJMNXVFE-UHFFFAOYSA-N 1 0 435.616 -1.377 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000559661988 1068200326 /nfs/dbraw/zinc/20/03/26/1068200326.db2.gz PJJWCGDJTLODAM-KRWDZBQOSA-N 1 0 431.493 -1.288 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000559661991 1068200356 /nfs/dbraw/zinc/20/03/56/1068200356.db2.gz PJJWCGDJTLODAM-QGZVFWFLSA-N 1 0 431.493 -1.288 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000559662404 1068200369 /nfs/dbraw/zinc/20/03/69/1068200369.db2.gz CZSXAXANQVRFPI-UHFFFAOYSA-N 1 0 431.541 -1.029 20 0 IAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000559674059 1068200411 /nfs/dbraw/zinc/20/04/11/1068200411.db2.gz SSQOKFDFXLHHOY-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000559674069 1068200190 /nfs/dbraw/zinc/20/01/90/1068200190.db2.gz SSQOKFDFXLHHOY-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000559680740 1068200719 /nfs/dbraw/zinc/20/07/19/1068200719.db2.gz HMNLCEULWJZVBV-UHFFFAOYSA-N 1 0 441.496 -1.480 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000559683924 1068200983 /nfs/dbraw/zinc/20/09/83/1068200983.db2.gz JISHZOWTZMFECC-UHFFFAOYSA-N 1 0 431.541 -1.029 20 0 IAADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCNC(=O)c3cnccn3)ccn2)CC1 ZINC000559687847 1068200940 /nfs/dbraw/zinc/20/09/40/1068200940.db2.gz UCXQJSCTHYUHBS-UHFFFAOYSA-N 1 0 426.481 -1.214 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000559700244 1068200894 /nfs/dbraw/zinc/20/08/94/1068200894.db2.gz IUNRAYOLODWJCD-UHFFFAOYSA-N 1 0 438.573 -1.868 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000559707740 1068200867 /nfs/dbraw/zinc/20/08/67/1068200867.db2.gz BRXXDFDPMBOVOI-UHFFFAOYSA-N 1 0 447.540 -1.002 20 0 IAADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cn2)CC1 ZINC000559735720 1068201025 /nfs/dbraw/zinc/20/10/25/1068201025.db2.gz LXCZFYHGKPKWLR-UHFFFAOYSA-N 1 0 438.554 -1.057 20 0 IAADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(F)cc1 ZINC000559748799 1068201052 /nfs/dbraw/zinc/20/10/52/1068201052.db2.gz VJTJFLHNXFNNJH-INIZCTEOSA-N 1 0 432.460 -1.098 20 0 IAADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(F)cc1 ZINC000559748800 1068200774 /nfs/dbraw/zinc/20/07/74/1068200774.db2.gz VJTJFLHNXFNNJH-MRXNPFEDSA-N 1 0 432.460 -1.098 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000559752908 1068200843 /nfs/dbraw/zinc/20/08/43/1068200843.db2.gz ZGFXXNHKHUOOIH-UHFFFAOYSA-N 1 0 441.496 -1.480 20 0 IAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000559770572 1068201508 /nfs/dbraw/zinc/20/15/08/1068201508.db2.gz GSWDVJMIKVZXGV-UHFFFAOYSA-N 1 0 446.552 -1.126 20 0 IAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000559771996 1068201615 /nfs/dbraw/zinc/20/16/15/1068201615.db2.gz BZDOKAQSCAWZNB-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000559836241 1068201995 /nfs/dbraw/zinc/20/19/95/1068201995.db2.gz NFFHGRIHBVNFSX-UHFFFAOYSA-N 1 0 443.526 -1.123 20 0 IAADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000559857163 1068203293 /nfs/dbraw/zinc/20/32/93/1068203293.db2.gz OGQHHXCDBMSGMT-UHFFFAOYSA-N 1 0 432.573 -1.189 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C2 ZINC000559868188 1068203550 /nfs/dbraw/zinc/20/35/50/1068203550.db2.gz URWRJNJZSJGAPK-GOSISDBHSA-N 1 0 439.542 -1.971 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2 ZINC000559868193 1068203215 /nfs/dbraw/zinc/20/32/15/1068203215.db2.gz URWRJNJZSJGAPK-SFHVURJKSA-N 1 0 439.542 -1.971 20 0 IAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCSC1 ZINC000559868575 1068203182 /nfs/dbraw/zinc/20/31/82/1068203182.db2.gz HKYYDKPVWOXJLY-IBGZPJMESA-N 1 0 427.571 -1.457 20 0 IAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCSC1 ZINC000559868576 1068203261 /nfs/dbraw/zinc/20/32/61/1068203261.db2.gz HKYYDKPVWOXJLY-LJQANCHMSA-N 1 0 427.571 -1.457 20 0 IAADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000559905616 1068203502 /nfs/dbraw/zinc/20/35/02/1068203502.db2.gz LGJAZKKLGALQBG-UHFFFAOYSA-N 1 0 435.525 -1.493 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000559923756 1068203917 /nfs/dbraw/zinc/20/39/17/1068203917.db2.gz ACCUNAUVQNKCAB-UHFFFAOYSA-N 1 0 427.502 -2.400 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000559924018 1068203985 /nfs/dbraw/zinc/20/39/85/1068203985.db2.gz FWWCATLMJBGVPW-UHFFFAOYSA-N 1 0 433.575 -1.213 20 0 IAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000559924938 1068204206 /nfs/dbraw/zinc/20/42/06/1068204206.db2.gz QICZLRYULYLPCC-HNNXBMFYSA-N 1 0 431.559 -1.461 20 0 IAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000559924943 1068203955 /nfs/dbraw/zinc/20/39/55/1068203955.db2.gz QICZLRYULYLPCC-OAHLLOKOSA-N 1 0 431.559 -1.461 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000559925122 1068204122 /nfs/dbraw/zinc/20/41/22/1068204122.db2.gz KENWBTNSOKTKLE-UHFFFAOYSA-N 1 0 448.590 -2.293 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000560016292 1068204596 /nfs/dbraw/zinc/20/45/96/1068204596.db2.gz SZCXYQOYSIMUIY-INIZCTEOSA-N 1 0 436.557 -1.674 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000560016293 1068204775 /nfs/dbraw/zinc/20/47/75/1068204775.db2.gz SZCXYQOYSIMUIY-MRXNPFEDSA-N 1 0 436.557 -1.674 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560031768 1068204620 /nfs/dbraw/zinc/20/46/20/1068204620.db2.gz DNUWEDROVNVRTM-GOSISDBHSA-N 1 0 438.573 -2.011 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560031769 1068204797 /nfs/dbraw/zinc/20/47/97/1068204797.db2.gz DNUWEDROVNVRTM-SFHVURJKSA-N 1 0 438.573 -2.011 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560034435 1068204749 /nfs/dbraw/zinc/20/47/49/1068204749.db2.gz QOMZJWXENMCSHL-GOSISDBHSA-N 1 0 438.573 -2.011 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560034436 1068204849 /nfs/dbraw/zinc/20/48/49/1068204849.db2.gz QOMZJWXENMCSHL-SFHVURJKSA-N 1 0 438.573 -2.011 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000560257319 1068205746 /nfs/dbraw/zinc/20/57/46/1068205746.db2.gz SEHXPVYBDVEBLU-UHFFFAOYSA-N 1 0 425.530 -1.247 20 0 IAADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NCC[NH+](C)C ZINC000560566990 1068206163 /nfs/dbraw/zinc/20/61/63/1068206163.db2.gz RWQRDDVUNGLZEL-CYBMUJFWSA-N 1 0 425.511 -1.397 20 0 IAADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NCC[NH+](C)C ZINC000560566998 1068206373 /nfs/dbraw/zinc/20/63/73/1068206373.db2.gz RWQRDDVUNGLZEL-ZDUSSCGKSA-N 1 0 425.511 -1.397 20 0 IAADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000560671239 1068206248 /nfs/dbraw/zinc/20/62/48/1068206248.db2.gz MXYHFYLIHRWASN-UHFFFAOYSA-N 1 0 444.496 -1.399 20 0 IAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000560754691 1068206785 /nfs/dbraw/zinc/20/67/85/1068206785.db2.gz MILVCYLKQABXOM-GOSISDBHSA-N 1 0 434.541 -1.399 20 0 IAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000560754694 1068206923 /nfs/dbraw/zinc/20/69/23/1068206923.db2.gz MILVCYLKQABXOM-SFHVURJKSA-N 1 0 434.541 -1.399 20 0 IAADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000560808952 1068206906 /nfs/dbraw/zinc/20/69/06/1068206906.db2.gz HBBOASGWYIBETJ-UHFFFAOYSA-N 1 0 439.538 -1.302 20 0 IAADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000560818547 1068206857 /nfs/dbraw/zinc/20/68/57/1068206857.db2.gz MCYPPHZHYFYZIW-HNNXBMFYSA-N 1 0 425.511 -1.516 20 0 IAADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000560818549 1068206948 /nfs/dbraw/zinc/20/69/48/1068206948.db2.gz MCYPPHZHYFYZIW-OAHLLOKOSA-N 1 0 425.511 -1.516 20 0 IAADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)CC1 ZINC000560874404 1068206952 /nfs/dbraw/zinc/20/69/52/1068206952.db2.gz KLIRKYWMYRBRQG-UHFFFAOYSA-N 1 0 448.568 -1.389 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000560891392 1068207383 /nfs/dbraw/zinc/20/73/83/1068207383.db2.gz IEUZGQKRHQSUHC-HNNXBMFYSA-N 1 0 439.538 -1.215 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000560891400 1068207412 /nfs/dbraw/zinc/20/74/12/1068207412.db2.gz IEUZGQKRHQSUHC-OAHLLOKOSA-N 1 0 439.538 -1.215 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000560892453 1068207455 /nfs/dbraw/zinc/20/74/55/1068207455.db2.gz NOQVNLGHZQPPGE-AWEZNQCLSA-N 1 0 435.489 -2.953 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000560892455 1068207337 /nfs/dbraw/zinc/20/73/37/1068207337.db2.gz NOQVNLGHZQPPGE-CQSZACIVSA-N 1 0 435.489 -2.953 20 0 IAADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000560904361 1068207365 /nfs/dbraw/zinc/20/73/65/1068207365.db2.gz XDQDYMDRBHLDEJ-HNNXBMFYSA-N 1 0 425.530 -1.214 20 0 IAADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000560904370 1068207514 /nfs/dbraw/zinc/20/75/14/1068207514.db2.gz XDQDYMDRBHLDEJ-OAHLLOKOSA-N 1 0 425.530 -1.214 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000560916706 1068208035 /nfs/dbraw/zinc/20/80/35/1068208035.db2.gz CBCYMPXLHGFYMI-KRWDZBQOSA-N 1 0 431.541 -1.402 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000560916709 1068207888 /nfs/dbraw/zinc/20/78/88/1068207888.db2.gz CBCYMPXLHGFYMI-QGZVFWFLSA-N 1 0 431.541 -1.402 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000560937223 1068208011 /nfs/dbraw/zinc/20/80/11/1068208011.db2.gz GNNWUZWCQUYJLX-UHFFFAOYSA-N 1 0 435.529 -1.344 20 0 IAADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000560982764 1067643504 /nfs/dbraw/zinc/64/35/04/1067643504.db2.gz WMCWANFXBLVZGE-UHFFFAOYSA-N 1 0 444.536 -1.035 20 0 IAADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000560985226 1068208476 /nfs/dbraw/zinc/20/84/76/1068208476.db2.gz APWPYPOKVOEINE-GOSISDBHSA-N 1 0 444.536 -1.036 20 0 IAADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000560985227 1068208569 /nfs/dbraw/zinc/20/85/69/1068208569.db2.gz APWPYPOKVOEINE-SFHVURJKSA-N 1 0 444.536 -1.036 20 0 IAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000561028029 1068208581 /nfs/dbraw/zinc/20/85/81/1068208581.db2.gz YBVHXGCNBBCNIQ-UHFFFAOYSA-N 1 0 437.541 -1.247 20 0 IAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000561041704 1068209045 /nfs/dbraw/zinc/20/90/45/1068209045.db2.gz DHIRITNBRRBDQB-CABCVRRESA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000561041705 1068209322 /nfs/dbraw/zinc/20/93/22/1068209322.db2.gz DHIRITNBRRBDQB-GJZGRUSLSA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000561041706 1068209415 /nfs/dbraw/zinc/20/94/15/1068209415.db2.gz DHIRITNBRRBDQB-HUUCEWRRSA-N 1 0 431.559 -1.415 20 0 IAADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000561041707 1068209154 /nfs/dbraw/zinc/20/91/54/1068209154.db2.gz DHIRITNBRRBDQB-LSDHHAIUSA-N 1 0 431.559 -1.415 20 0 IAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000561046338 1068209391 /nfs/dbraw/zinc/20/93/91/1068209391.db2.gz LYJQSCQFFRLEKR-KRWDZBQOSA-N 1 0 438.573 -1.286 20 0 IAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000561046339 1068209223 /nfs/dbraw/zinc/20/92/23/1068209223.db2.gz LYJQSCQFFRLEKR-QGZVFWFLSA-N 1 0 438.573 -1.286 20 0 IAADRO CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(=O)N1CCOCC1 ZINC000561046750 1068209344 /nfs/dbraw/zinc/20/93/44/1068209344.db2.gz ORZPCKOGULOVQG-CVEARBPZSA-N 1 0 425.530 -1.201 20 0 IAADRO CC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(=O)N1CCOCC1 ZINC000561046751 1068209075 /nfs/dbraw/zinc/20/90/75/1068209075.db2.gz ORZPCKOGULOVQG-HOTGVXAUSA-N 1 0 425.530 -1.201 20 0 IAADRO CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(=O)N1CCOCC1 ZINC000561046752 1068209170 /nfs/dbraw/zinc/20/91/70/1068209170.db2.gz ORZPCKOGULOVQG-HZPDHXFCSA-N 1 0 425.530 -1.201 20 0 IAADRO CC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(=O)N1CCOCC1 ZINC000561046753 1068209445 /nfs/dbraw/zinc/20/94/45/1068209445.db2.gz ORZPCKOGULOVQG-JKSUJKDBSA-N 1 0 425.530 -1.201 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000561046982 1068209100 /nfs/dbraw/zinc/20/91/00/1068209100.db2.gz WMEBSUOOJLLBCZ-CVEARBPZSA-N 1 0 445.586 -1.167 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000561046983 1068209270 /nfs/dbraw/zinc/20/92/70/1068209270.db2.gz WMEBSUOOJLLBCZ-HOTGVXAUSA-N 1 0 445.586 -1.167 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000561046985 1068209023 /nfs/dbraw/zinc/20/90/23/1068209023.db2.gz WMEBSUOOJLLBCZ-HZPDHXFCSA-N 1 0 445.586 -1.167 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000561046986 1068209134 /nfs/dbraw/zinc/20/91/34/1068209134.db2.gz WMEBSUOOJLLBCZ-JKSUJKDBSA-N 1 0 445.586 -1.167 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000561047521 1068209120 /nfs/dbraw/zinc/20/91/20/1068209120.db2.gz SQVUPMXBWCADNB-CVEARBPZSA-N 1 0 433.513 -1.300 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000561047522 1068208989 /nfs/dbraw/zinc/20/89/89/1068208989.db2.gz SQVUPMXBWCADNB-HOTGVXAUSA-N 1 0 433.513 -1.300 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000561047523 1068209361 /nfs/dbraw/zinc/20/93/61/1068209361.db2.gz SQVUPMXBWCADNB-HZPDHXFCSA-N 1 0 433.513 -1.300 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000561047524 1068209293 /nfs/dbraw/zinc/20/92/93/1068209293.db2.gz SQVUPMXBWCADNB-JKSUJKDBSA-N 1 0 433.513 -1.300 20 0 IAADRO COCCN1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000561048200 1068209192 /nfs/dbraw/zinc/20/91/92/1068209192.db2.gz WVSCCIYTQRATAQ-INIZCTEOSA-N 1 0 425.530 -1.247 20 0 IAADRO COCCN1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000561048201 1068209433 /nfs/dbraw/zinc/20/94/33/1068209433.db2.gz WVSCCIYTQRATAQ-MRXNPFEDSA-N 1 0 425.530 -1.247 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000561174728 1068209910 /nfs/dbraw/zinc/20/99/10/1068209910.db2.gz DRLYLVSAUHWPPO-AEVYOOLXSA-N 1 0 447.496 -1.818 20 0 IAADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000561327187 1068210408 /nfs/dbraw/zinc/21/04/08/1068210408.db2.gz OGUOWECKLFKFBQ-UHFFFAOYSA-N 1 0 437.541 -1.103 20 0 IAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353213 1068210343 /nfs/dbraw/zinc/21/03/43/1068210343.db2.gz CQAOUWFVFUCTJD-GOSISDBHSA-N 1 0 427.590 -1.204 20 0 IAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353214 1067645049 /nfs/dbraw/zinc/64/50/49/1067645049.db2.gz CQAOUWFVFUCTJD-SFHVURJKSA-N 1 0 427.590 -1.204 20 0 IAADRO Cn1ccnc(NC[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCO2)c1=O ZINC000561430224 1067981277 /nfs/dbraw/zinc/98/12/77/1067981277.db2.gz DCPDGMBUUKEHIV-DOTOQJQBSA-N 1 0 432.525 -0.447 20 0 IAADRO Cn1ccnc(NC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCO2)c1=O ZINC000561430225 1067981526 /nfs/dbraw/zinc/98/15/26/1067981526.db2.gz DCPDGMBUUKEHIV-NVXWUHKLSA-N 1 0 432.525 -0.447 20 0 IAADRO Cn1ccnc(NC[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCO2)c1=O ZINC000561430226 1067981983 /nfs/dbraw/zinc/98/19/83/1067981983.db2.gz DCPDGMBUUKEHIV-RDJZCZTQSA-N 1 0 432.525 -0.447 20 0 IAADRO Cn1ccnc(NC[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCO2)c1=O ZINC000561430227 1067981859 /nfs/dbraw/zinc/98/18/59/1067981859.db2.gz DCPDGMBUUKEHIV-WBVHZDCISA-N 1 0 432.525 -0.447 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000561441237 1068211167 /nfs/dbraw/zinc/21/11/67/1068211167.db2.gz QRCSQLCUKMAQJW-AWEZNQCLSA-N 1 0 429.499 -1.515 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000561441239 1068211022 /nfs/dbraw/zinc/21/10/22/1068211022.db2.gz QRCSQLCUKMAQJW-CQSZACIVSA-N 1 0 429.499 -1.515 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000561441867 1068211350 /nfs/dbraw/zinc/21/13/50/1068211350.db2.gz YNJYTNRBYGRZTL-INIZCTEOSA-N 1 0 446.574 -2.540 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000561441870 1068211298 /nfs/dbraw/zinc/21/12/98/1068211298.db2.gz YNJYTNRBYGRZTL-MRXNPFEDSA-N 1 0 446.574 -2.540 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)C1 ZINC000561453624 1068211334 /nfs/dbraw/zinc/21/13/34/1068211334.db2.gz NMIOAGXLCAONSN-INIZCTEOSA-N 1 0 434.559 -1.278 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)C1 ZINC000561453625 1068211190 /nfs/dbraw/zinc/21/11/90/1068211190.db2.gz NMIOAGXLCAONSN-MRXNPFEDSA-N 1 0 434.559 -1.278 20 0 IAADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000561580068 1068211985 /nfs/dbraw/zinc/21/19/85/1068211985.db2.gz OSJLXPACIVUWTK-UHFFFAOYSA-N 1 0 436.517 -1.651 20 0 IAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000561768640 1068212870 /nfs/dbraw/zinc/21/28/70/1068212870.db2.gz UCEMKYZQMJTXPP-UHFFFAOYSA-N 1 0 436.557 -1.578 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000562009068 1068215135 /nfs/dbraw/zinc/21/51/35/1068215135.db2.gz GTHLCTMTYWPFCR-INIZCTEOSA-N 1 0 435.550 -1.048 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000562009069 1068214983 /nfs/dbraw/zinc/21/49/83/1068214983.db2.gz GTHLCTMTYWPFCR-MRXNPFEDSA-N 1 0 435.550 -1.048 20 0 IAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000562009115 1068215187 /nfs/dbraw/zinc/21/51/87/1068215187.db2.gz IFKWUNGBOVEUMM-CHWSQXEVSA-N 1 0 441.510 -1.190 20 0 IAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000562009118 1068215122 /nfs/dbraw/zinc/21/51/22/1068215122.db2.gz IFKWUNGBOVEUMM-OLZOCXBDSA-N 1 0 441.510 -1.190 20 0 IAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000562009120 1068215103 /nfs/dbraw/zinc/21/51/03/1068215103.db2.gz IFKWUNGBOVEUMM-QWHCGFSZSA-N 1 0 441.510 -1.190 20 0 IAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC[N@@H+]1C ZINC000562009122 1068215071 /nfs/dbraw/zinc/21/50/71/1068215071.db2.gz IFKWUNGBOVEUMM-STQMWFEESA-N 1 0 441.510 -1.190 20 0 IAADRO COc1cc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)ncn1 ZINC000562161703 1068216324 /nfs/dbraw/zinc/21/63/24/1068216324.db2.gz ZUARENCRPGEWBQ-UHFFFAOYSA-N 1 0 449.556 -1.360 20 0 IAADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562194012 1068216401 /nfs/dbraw/zinc/21/64/01/1068216401.db2.gz RSQBJSJQDLRDEI-KRWDZBQOSA-N 1 0 437.541 -1.103 20 0 IAADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000562194016 1068216376 /nfs/dbraw/zinc/21/63/76/1068216376.db2.gz RSQBJSJQDLRDEI-QGZVFWFLSA-N 1 0 437.541 -1.103 20 0 IAADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000563270177 1067639131 /nfs/dbraw/zinc/63/91/31/1067639131.db2.gz WABAPERSNKKZHQ-UHFFFAOYSA-N 1 0 446.508 -1.051 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000563316766 1068218220 /nfs/dbraw/zinc/21/82/20/1068218220.db2.gz UNKXCBTXYOMIPB-AWEZNQCLSA-N 1 0 436.513 -2.361 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000563316769 1068217926 /nfs/dbraw/zinc/21/79/26/1068217926.db2.gz UNKXCBTXYOMIPB-CQSZACIVSA-N 1 0 436.513 -2.361 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)N1CC[NH+](C)CC1 ZINC000563515075 1068218132 /nfs/dbraw/zinc/21/81/32/1068218132.db2.gz DMNWBCQNELTKAV-INIZCTEOSA-N 1 0 435.533 -2.268 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)N1CC[NH+](C)CC1 ZINC000563515076 1068218240 /nfs/dbraw/zinc/21/82/40/1068218240.db2.gz DMNWBCQNELTKAV-MRXNPFEDSA-N 1 0 435.533 -2.268 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000563542994 1068218268 /nfs/dbraw/zinc/21/82/68/1068218268.db2.gz IACLGOZIAUZENJ-UHFFFAOYSA-N 1 0 430.531 -1.744 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1=O ZINC000563695683 1068218864 /nfs/dbraw/zinc/21/88/64/1068218864.db2.gz FTFCXXGPPIZKHI-AWEZNQCLSA-N 1 0 432.481 -1.459 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1=O ZINC000563695684 1068218759 /nfs/dbraw/zinc/21/87/59/1068218759.db2.gz FTFCXXGPPIZKHI-CQSZACIVSA-N 1 0 432.481 -1.459 20 0 IAADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCC1 ZINC000563833345 1068220231 /nfs/dbraw/zinc/22/02/31/1068220231.db2.gz DOOXBKVRXXNLCU-UHFFFAOYSA-N 1 0 437.541 -1.246 20 0 IAADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCO1 ZINC000563835739 1068220252 /nfs/dbraw/zinc/22/02/52/1068220252.db2.gz KWYBMTSXOUNEAM-GOSISDBHSA-N 1 0 439.557 -1.394 20 0 IAADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCO1 ZINC000563835744 1068220276 /nfs/dbraw/zinc/22/02/76/1068220276.db2.gz KWYBMTSXOUNEAM-SFHVURJKSA-N 1 0 439.557 -1.394 20 0 IAADRO C[C@@H](CCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCCCC1 ZINC000564001083 1068220806 /nfs/dbraw/zinc/22/08/06/1068220806.db2.gz RDBPNCDCYFNWJW-HNNXBMFYSA-N 1 0 435.529 -1.144 20 0 IAADRO C[C@H](CCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCCCC1 ZINC000564001158 1068220788 /nfs/dbraw/zinc/22/07/88/1068220788.db2.gz RDBPNCDCYFNWJW-OAHLLOKOSA-N 1 0 435.529 -1.144 20 0 IAADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NCC[NH+](C)C ZINC000564086260 1068221465 /nfs/dbraw/zinc/22/14/65/1068221465.db2.gz RZCDAYZYJTZXGN-CHWSQXEVSA-N 1 0 425.511 -1.131 20 0 IAADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NCC[NH+](C)C ZINC000564086262 1068221611 /nfs/dbraw/zinc/22/16/11/1068221611.db2.gz RZCDAYZYJTZXGN-OLZOCXBDSA-N 1 0 425.511 -1.131 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NCC[NH+](C)C ZINC000564086264 1068221423 /nfs/dbraw/zinc/22/14/23/1068221423.db2.gz RZCDAYZYJTZXGN-QWHCGFSZSA-N 1 0 425.511 -1.131 20 0 IAADRO C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NCC[NH+](C)C ZINC000564086266 1068221621 /nfs/dbraw/zinc/22/16/21/1068221621.db2.gz RZCDAYZYJTZXGN-STQMWFEESA-N 1 0 425.511 -1.131 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000564285797 1068222252 /nfs/dbraw/zinc/22/22/52/1068222252.db2.gz FNIPCVUMUBEQDU-CABCVRRESA-N 1 0 429.543 -1.708 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000564285798 1068221982 /nfs/dbraw/zinc/22/19/82/1068221982.db2.gz FNIPCVUMUBEQDU-HUUCEWRRSA-N 1 0 429.543 -1.708 20 0 IAADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000564358634 1068222802 /nfs/dbraw/zinc/22/28/02/1068222802.db2.gz VCPNPMATMLIPTF-UHFFFAOYSA-N 1 0 435.525 -1.493 20 0 IAADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000564360141 1068222522 /nfs/dbraw/zinc/22/25/22/1068222522.db2.gz WSDIPUZJYFKNIS-INIZCTEOSA-N 1 0 437.541 -1.247 20 0 IAADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000564360142 1068222822 /nfs/dbraw/zinc/22/28/22/1068222822.db2.gz WSDIPUZJYFKNIS-MRXNPFEDSA-N 1 0 437.541 -1.247 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)CN1CCOCC1 ZINC000564473423 1068222912 /nfs/dbraw/zinc/22/29/12/1068222912.db2.gz HJJKWANIVWECIG-INIZCTEOSA-N 1 0 445.520 -1.041 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)CN1CCOCC1 ZINC000564473428 1068222637 /nfs/dbraw/zinc/22/26/37/1068222637.db2.gz HJJKWANIVWECIG-MRXNPFEDSA-N 1 0 445.520 -1.041 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000564483695 1068222984 /nfs/dbraw/zinc/22/29/84/1068222984.db2.gz ROQCYCCNMFADRZ-CYBMUJFWSA-N 1 0 439.560 -2.828 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000564485078 1068222856 /nfs/dbraw/zinc/22/28/56/1068222856.db2.gz AYIGMZSXGPMOOG-UHFFFAOYSA-N 1 0 441.496 -1.228 20 0 IAADRO CCn1ncnc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000564605605 1068222763 /nfs/dbraw/zinc/22/27/63/1068222763.db2.gz DWKMAAUQQNTTPG-UHFFFAOYSA-N 1 0 429.485 -1.110 20 0 IAADRO Cc1nccc(N2CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)n1 ZINC000564608171 1068222683 /nfs/dbraw/zinc/22/26/83/1068222683.db2.gz HRFBLICMMOEYTR-UHFFFAOYSA-N 1 0 437.482 -1.343 20 0 IAADRO CCOC1CC(CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000564612519 1068223026 /nfs/dbraw/zinc/22/30/26/1068223026.db2.gz JKWUCDZGWLLBNZ-UHFFFAOYSA-N 1 0 445.586 -1.056 20 0 IAADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1F ZINC000565075545 1068223326 /nfs/dbraw/zinc/22/33/26/1068223326.db2.gz VKJIQEWAOIFYTM-UHFFFAOYSA-N 1 0 432.460 -1.139 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1(C)C ZINC000565123982 1068223768 /nfs/dbraw/zinc/22/37/68/1068223768.db2.gz RBFCGXMXZKIDFL-UHFFFAOYSA-N 1 0 435.616 -1.377 20 0 IAADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000565146523 1068223588 /nfs/dbraw/zinc/22/35/88/1068223588.db2.gz XAEUBHFRGOPCJT-HNNXBMFYSA-N 1 0 435.529 -1.288 20 0 IAADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000565146531 1068223751 /nfs/dbraw/zinc/22/37/51/1068223751.db2.gz XAEUBHFRGOPCJT-OAHLLOKOSA-N 1 0 435.529 -1.288 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000565240397 1068223705 /nfs/dbraw/zinc/22/37/05/1068223705.db2.gz VYZWIMQTKJNQQN-GDBMZVCRSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000565240398 1068224213 /nfs/dbraw/zinc/22/42/13/1068224213.db2.gz VYZWIMQTKJNQQN-GOEBONIOSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000565240399 1068224461 /nfs/dbraw/zinc/22/44/61/1068224461.db2.gz VYZWIMQTKJNQQN-HOCLYGCPSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)CCN2C1=O ZINC000565240400 1068224231 /nfs/dbraw/zinc/22/42/31/1068224231.db2.gz VYZWIMQTKJNQQN-ZBFHGGJFSA-N 1 0 439.513 -1.098 20 0 IAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000565495764 1068224273 /nfs/dbraw/zinc/22/42/73/1068224273.db2.gz OFLZSOCMZQKVKG-GOSISDBHSA-N 1 0 439.557 -1.394 20 0 IAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000565495765 1068224989 /nfs/dbraw/zinc/22/49/89/1068224989.db2.gz OFLZSOCMZQKVKG-SFHVURJKSA-N 1 0 439.557 -1.394 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000565556600 1068224902 /nfs/dbraw/zinc/22/49/02/1068224902.db2.gz PUMGCBDDGKDQDS-HNNXBMFYSA-N 1 0 431.559 -1.461 20 0 IAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000565556602 1068225076 /nfs/dbraw/zinc/22/50/76/1068225076.db2.gz PUMGCBDDGKDQDS-OAHLLOKOSA-N 1 0 431.559 -1.461 20 0 IAADRO CC(C)(CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000565617939 1068225826 /nfs/dbraw/zinc/22/58/26/1068225826.db2.gz APBYZZVWUNXHQD-UHFFFAOYSA-N 1 0 437.541 -1.246 20 0 IAADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCN1CC(C)(C)O ZINC000565733346 1068225694 /nfs/dbraw/zinc/22/56/94/1068225694.db2.gz IVFBALYBQTWFJC-GOSISDBHSA-N 1 0 427.590 -1.204 20 0 IAADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CCN1CC(C)(C)O ZINC000565733352 1068225601 /nfs/dbraw/zinc/22/56/01/1068225601.db2.gz IVFBALYBQTWFJC-SFHVURJKSA-N 1 0 427.590 -1.204 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCN2C1=O ZINC000566495652 1068226828 /nfs/dbraw/zinc/22/68/28/1068226828.db2.gz HXHRRXUUNNDVJR-MSOLQXFVSA-N 1 0 435.550 -1.096 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCN2C1=O ZINC000566495653 1068227223 /nfs/dbraw/zinc/22/72/23/1068227223.db2.gz HXHRRXUUNNDVJR-QZTJIDSGSA-N 1 0 435.550 -1.096 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCN2C1=O ZINC000566495654 1068227118 /nfs/dbraw/zinc/22/71/18/1068227118.db2.gz HXHRRXUUNNDVJR-ROUUACIJSA-N 1 0 435.550 -1.096 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCN2C1=O ZINC000566495655 1068226893 /nfs/dbraw/zinc/22/68/93/1068226893.db2.gz HXHRRXUUNNDVJR-ZWKOTPCHSA-N 1 0 435.550 -1.096 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1)C2 ZINC000566550286 1068227943 /nfs/dbraw/zinc/22/79/43/1068227943.db2.gz KPNWCGVPAPYBCB-UHFFFAOYSA-N 1 0 443.508 -1.147 20 0 IAADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000566581195 1068227798 /nfs/dbraw/zinc/22/77/98/1068227798.db2.gz KVPAFOBXULJBHA-HOTGVXAUSA-N 1 0 449.574 -1.821 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000566581198 1068227776 /nfs/dbraw/zinc/22/77/76/1068227776.db2.gz KVPAFOBXULJBHA-HZPDHXFCSA-N 1 0 449.574 -1.821 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000566581199 1068227967 /nfs/dbraw/zinc/22/79/67/1068227967.db2.gz KVPAFOBXULJBHA-IYBDPMFKSA-N 1 0 449.574 -1.821 20 0 IAADRO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000566588714 1068227876 /nfs/dbraw/zinc/22/78/76/1068227876.db2.gz UFVPOFMCKMVFFA-INIZCTEOSA-N 1 0 442.586 -1.611 20 0 IAADRO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000566588715 1068227660 /nfs/dbraw/zinc/22/76/60/1068227660.db2.gz UFVPOFMCKMVFFA-MRXNPFEDSA-N 1 0 442.586 -1.611 20 0 IAADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1F ZINC000566643837 1068228428 /nfs/dbraw/zinc/22/84/28/1068228428.db2.gz KUQKZIQNAMOCSW-UHFFFAOYSA-N 1 0 432.460 -1.139 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)cn1C ZINC000566818251 1068228279 /nfs/dbraw/zinc/22/82/79/1068228279.db2.gz UMXAKKNQHQGQTM-UHFFFAOYSA-N 1 0 430.531 -1.744 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000566870974 1068229078 /nfs/dbraw/zinc/22/90/78/1068229078.db2.gz YQCDQTFTLVMQAO-UHFFFAOYSA-N 1 0 449.556 -1.054 20 0 IAADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000566879722 1068229037 /nfs/dbraw/zinc/22/90/37/1068229037.db2.gz NKMREWZAFWRAAR-CQSZACIVSA-N 1 0 443.526 -1.078 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000566963954 1068229155 /nfs/dbraw/zinc/22/91/55/1068229155.db2.gz BOXVAVAEUWWWFG-INIZCTEOSA-N 1 0 449.556 -1.054 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000566963955 1068229098 /nfs/dbraw/zinc/22/90/98/1068229098.db2.gz BOXVAVAEUWWWFG-MRXNPFEDSA-N 1 0 449.556 -1.054 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000567016919 1068228880 /nfs/dbraw/zinc/22/88/80/1068228880.db2.gz LXPHEOMWIIHLLZ-UHFFFAOYSA-N 1 0 434.563 -2.683 20 0 IAADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000567071775 1068229836 /nfs/dbraw/zinc/22/98/36/1068229836.db2.gz RXEKDPGGVZMMRT-UHFFFAOYSA-N 1 0 445.885 -1.421 20 0 IAADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000567412677 1068230468 /nfs/dbraw/zinc/23/04/68/1068230468.db2.gz IMJZOVNYLHCVJQ-UHFFFAOYSA-N 1 0 437.541 -1.246 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000567417181 1068230440 /nfs/dbraw/zinc/23/04/40/1068230440.db2.gz ZCLVDDHZHDRHPT-DBKKVMMFSA-N 1 0 449.512 -1.208 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000567417182 1068230479 /nfs/dbraw/zinc/23/04/79/1068230479.db2.gz ZCLVDDHZHDRHPT-WUMBASEESA-N 1 0 449.512 -1.208 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000567430444 1068230397 /nfs/dbraw/zinc/23/03/97/1068230397.db2.gz YYGLWLMRCFMDEC-AWEZNQCLSA-N 1 0 435.529 -1.288 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000567430445 1068230295 /nfs/dbraw/zinc/23/02/95/1068230295.db2.gz YYGLWLMRCFMDEC-CQSZACIVSA-N 1 0 435.529 -1.288 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000567529528 1068231046 /nfs/dbraw/zinc/23/10/46/1068231046.db2.gz XDSABUWMMOTBAA-UHFFFAOYSA-N 1 0 427.527 -1.001 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000568057753 1068231763 /nfs/dbraw/zinc/23/17/63/1068231763.db2.gz PXEKOZQTVWBRPX-INIZCTEOSA-N 1 0 431.541 -1.171 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000568057754 1068231796 /nfs/dbraw/zinc/23/17/96/1068231796.db2.gz PXEKOZQTVWBRPX-MRXNPFEDSA-N 1 0 431.541 -1.171 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000568077842 1067852026 /nfs/dbraw/zinc/85/20/26/1067852026.db2.gz RNLMZHBOMACHDV-INIZCTEOSA-N 1 0 433.513 -1.532 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000568077843 1067852218 /nfs/dbraw/zinc/85/22/18/1067852218.db2.gz RNLMZHBOMACHDV-MRXNPFEDSA-N 1 0 433.513 -1.532 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000568267828 1067853589 /nfs/dbraw/zinc/85/35/89/1067853589.db2.gz MWEJJPXVGWRHPZ-AJAPIDPKSA-N 1 0 437.478 -1.318 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000568267829 1067853743 /nfs/dbraw/zinc/85/37/43/1067853743.db2.gz MWEJJPXVGWRHPZ-CRPGXEFLSA-N 1 0 437.478 -1.318 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000568267830 1067854047 /nfs/dbraw/zinc/85/40/47/1067854047.db2.gz MWEJJPXVGWRHPZ-PCJJGOFDSA-N 1 0 437.478 -1.318 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000568267831 1067854215 /nfs/dbraw/zinc/85/42/15/1067854215.db2.gz MWEJJPXVGWRHPZ-ZEWFUEFWSA-N 1 0 437.478 -1.318 20 0 IAADRO Cn1c(=O)c(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000568268320 1068232256 /nfs/dbraw/zinc/23/22/56/1068232256.db2.gz UYOMSGOHAFZYEY-CABCVRRESA-N 1 0 426.477 -1.396 20 0 IAADRO Cn1c(=O)c(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000568268321 1068232468 /nfs/dbraw/zinc/23/24/68/1068232468.db2.gz UYOMSGOHAFZYEY-GJZGRUSLSA-N 1 0 426.477 -1.396 20 0 IAADRO Cn1c(=O)c(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000568268322 1068232526 /nfs/dbraw/zinc/23/25/26/1068232526.db2.gz UYOMSGOHAFZYEY-HUUCEWRRSA-N 1 0 426.477 -1.396 20 0 IAADRO Cn1c(=O)c(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000568268323 1068232372 /nfs/dbraw/zinc/23/23/72/1068232372.db2.gz UYOMSGOHAFZYEY-LSDHHAIUSA-N 1 0 426.477 -1.396 20 0 IAADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000568309617 1068232166 /nfs/dbraw/zinc/23/21/66/1068232166.db2.gz LTDZVHZHFMQARS-UHFFFAOYSA-N 1 0 436.600 -1.214 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000568539592 1068233009 /nfs/dbraw/zinc/23/30/09/1068233009.db2.gz AJUDDXXWTFNNQG-DLBZAZTESA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000568539593 1068233863 /nfs/dbraw/zinc/23/38/63/1068233863.db2.gz AJUDDXXWTFNNQG-IAGOWNOFSA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000568539594 1068233877 /nfs/dbraw/zinc/23/38/77/1068233877.db2.gz AJUDDXXWTFNNQG-IRXDYDNUSA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000568539595 1068233617 /nfs/dbraw/zinc/23/36/17/1068233617.db2.gz AJUDDXXWTFNNQG-SJORKVTESA-N 1 0 442.586 -1.634 20 0 IAADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C ZINC000568607005 1068233749 /nfs/dbraw/zinc/23/37/49/1068233749.db2.gz GCBNUUKYJXYMJC-UHFFFAOYSA-N 1 0 446.618 -1.142 20 0 IAADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000568681801 1068233826 /nfs/dbraw/zinc/23/38/26/1068233826.db2.gz YUZSKQXBRWWKMM-OAHLLOKOSA-N 1 0 429.543 -1.707 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000569362266 1068235748 /nfs/dbraw/zinc/23/57/48/1068235748.db2.gz NUWFUIVBIOZMML-KRWDZBQOSA-N 1 0 436.557 -1.676 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000569362267 1068235607 /nfs/dbraw/zinc/23/56/07/1068235607.db2.gz NUWFUIVBIOZMML-QGZVFWFLSA-N 1 0 436.557 -1.676 20 0 IAADRO C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccc(F)cc1 ZINC000569523291 1068235782 /nfs/dbraw/zinc/23/57/82/1068235782.db2.gz GVCZTUYNPBUVOB-UHFFFAOYSA-N 1 0 432.460 -1.269 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C2 ZINC000569760559 1068236501 /nfs/dbraw/zinc/23/65/01/1068236501.db2.gz PATCEOLMOPJPAJ-UHFFFAOYSA-N 1 0 435.529 -1.287 20 0 IAADRO O=C(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC000569791564 1068236306 /nfs/dbraw/zinc/23/63/06/1068236306.db2.gz PPHYJQGREDBOTA-UHFFFAOYSA-N 1 0 432.524 -1.582 20 0 IAADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000569861677 1068237106 /nfs/dbraw/zinc/23/71/06/1068237106.db2.gz YOEDDJZVRWWECQ-UHFFFAOYSA-N 1 0 427.531 -1.362 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000570111301 1068237802 /nfs/dbraw/zinc/23/78/02/1068237802.db2.gz QQPSEHIIKDDNTO-GOSISDBHSA-N 1 0 439.557 -1.538 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000570111303 1068237573 /nfs/dbraw/zinc/23/75/73/1068237573.db2.gz QQPSEHIIKDDNTO-SFHVURJKSA-N 1 0 439.557 -1.538 20 0 IAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000570285098 1068238162 /nfs/dbraw/zinc/23/81/62/1068238162.db2.gz QTCJBDZNHTYXDF-GOSISDBHSA-N 1 0 426.495 -1.171 20 0 IAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000570285099 1068238368 /nfs/dbraw/zinc/23/83/68/1068238368.db2.gz QTCJBDZNHTYXDF-SFHVURJKSA-N 1 0 426.495 -1.171 20 0 IAADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000570835222 1068239630 /nfs/dbraw/zinc/23/96/30/1068239630.db2.gz ZTEATZUVPWURQS-KRWDZBQOSA-N 1 0 438.573 -1.332 20 0 IAADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000570835224 1068239849 /nfs/dbraw/zinc/23/98/49/1068239849.db2.gz ZTEATZUVPWURQS-QGZVFWFLSA-N 1 0 438.573 -1.332 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000570984801 1067871984 /nfs/dbraw/zinc/87/19/84/1067871984.db2.gz LSBISYUPEZFHCF-IBGZPJMESA-N 1 0 439.538 -1.256 20 0 IAADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000570984802 1067872149 /nfs/dbraw/zinc/87/21/49/1067872149.db2.gz LSBISYUPEZFHCF-LJQANCHMSA-N 1 0 439.538 -1.256 20 0 IAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000571065680 1067871940 /nfs/dbraw/zinc/87/19/40/1067871940.db2.gz GSSOIWQXZOYHIK-UHFFFAOYSA-N 1 0 431.541 -1.270 20 0 IAADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000571084290 1068239922 /nfs/dbraw/zinc/23/99/22/1068239922.db2.gz LVJCYBNRUVPTQK-AWEZNQCLSA-N 1 0 431.559 -1.381 20 0 IAADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000571084295 1068239773 /nfs/dbraw/zinc/23/97/73/1068239773.db2.gz LVJCYBNRUVPTQK-CQSZACIVSA-N 1 0 431.559 -1.381 20 0 IAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000571325613 1067872603 /nfs/dbraw/zinc/87/26/03/1067872603.db2.gz PXTFDPVOBWCWMX-HNNXBMFYSA-N 1 0 433.513 -1.378 20 0 IAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000571325618 1067872741 /nfs/dbraw/zinc/87/27/41/1067872741.db2.gz PXTFDPVOBWCWMX-OAHLLOKOSA-N 1 0 433.513 -1.378 20 0 IAADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000571356719 1068240351 /nfs/dbraw/zinc/24/03/51/1068240351.db2.gz SBSUZUPFTQIEMI-CVEARBPZSA-N 1 0 445.524 -1.285 20 0 IAADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000571356720 1068240633 /nfs/dbraw/zinc/24/06/33/1068240633.db2.gz SBSUZUPFTQIEMI-HOTGVXAUSA-N 1 0 445.524 -1.285 20 0 IAADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000571356721 1068241090 /nfs/dbraw/zinc/24/10/90/1068241090.db2.gz SBSUZUPFTQIEMI-HZPDHXFCSA-N 1 0 445.524 -1.285 20 0 IAADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n(C)n1 ZINC000571356722 1068241139 /nfs/dbraw/zinc/24/11/39/1068241139.db2.gz SBSUZUPFTQIEMI-JKSUJKDBSA-N 1 0 445.524 -1.285 20 0 IAADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c[nH]1 ZINC000571590605 1068241256 /nfs/dbraw/zinc/24/12/56/1068241256.db2.gz JQDNZFWCGLAOAD-UHFFFAOYSA-N 1 0 428.515 -1.500 20 0 IAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000572011163 1067873951 /nfs/dbraw/zinc/87/39/51/1067873951.db2.gz VMKQEYQYOMXDCK-IBGZPJMESA-N 1 0 444.584 -1.047 20 0 IAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000572011164 1067873878 /nfs/dbraw/zinc/87/38/78/1067873878.db2.gz VMKQEYQYOMXDCK-LJQANCHMSA-N 1 0 444.584 -1.047 20 0 IAADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000572153573 1068242721 /nfs/dbraw/zinc/24/27/21/1068242721.db2.gz DIEYOKJNKPFPDA-INIZCTEOSA-N 1 0 445.524 -1.283 20 0 IAADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000572153574 1068242667 /nfs/dbraw/zinc/24/26/67/1068242667.db2.gz DIEYOKJNKPFPDA-MRXNPFEDSA-N 1 0 445.524 -1.283 20 0 IAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCO1 ZINC000572280112 1067874544 /nfs/dbraw/zinc/87/45/44/1067874544.db2.gz IQRDMVZLUVEFFD-HNNXBMFYSA-N 1 0 425.530 -1.297 20 0 IAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCO1 ZINC000572280113 1067874706 /nfs/dbraw/zinc/87/47/06/1067874706.db2.gz IQRDMVZLUVEFFD-OAHLLOKOSA-N 1 0 425.530 -1.297 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000572306417 1068242683 /nfs/dbraw/zinc/24/26/83/1068242683.db2.gz BMVISBLNNZYEDN-HNNXBMFYSA-N 1 0 431.515 -1.317 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000572306418 1068242327 /nfs/dbraw/zinc/24/23/27/1068242327.db2.gz BMVISBLNNZYEDN-OAHLLOKOSA-N 1 0 431.515 -1.317 20 0 IAADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000572396550 1068242278 /nfs/dbraw/zinc/24/22/78/1068242278.db2.gz XKTAITYSLSWUAH-UHFFFAOYSA-N 1 0 432.591 -1.529 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1=O ZINC000572506522 1067874649 /nfs/dbraw/zinc/87/46/49/1067874649.db2.gz AXSYFAIEYSGLAY-GFCCVEGCSA-N 1 0 435.485 -1.410 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1=O ZINC000572506523 1067874915 /nfs/dbraw/zinc/87/49/15/1067874915.db2.gz AXSYFAIEYSGLAY-LBPRGKRZSA-N 1 0 435.485 -1.410 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C2 ZINC000572614232 1068243050 /nfs/dbraw/zinc/24/30/50/1068243050.db2.gz BYJBMTCAHLITSH-CYBMUJFWSA-N 1 0 449.537 -1.044 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C2 ZINC000572614233 1068243352 /nfs/dbraw/zinc/24/33/52/1068243352.db2.gz BYJBMTCAHLITSH-ZDUSSCGKSA-N 1 0 449.537 -1.044 20 0 IAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000572669766 1068243287 /nfs/dbraw/zinc/24/32/87/1068243287.db2.gz LEYCVAJYBYVJLF-KRWDZBQOSA-N 1 0 438.573 -1.297 20 0 IAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000572669767 1068243122 /nfs/dbraw/zinc/24/31/22/1068243122.db2.gz LEYCVAJYBYVJLF-QGZVFWFLSA-N 1 0 438.573 -1.297 20 0 IAADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000572755755 1068243106 /nfs/dbraw/zinc/24/31/06/1068243106.db2.gz KXFCJORNPBLLTA-UHFFFAOYSA-N 1 0 436.517 -1.651 20 0 IAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000573116277 1067877959 /nfs/dbraw/zinc/87/79/59/1067877959.db2.gz BFEMZCYUSFLAMV-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000573116278 1067878033 /nfs/dbraw/zinc/87/80/33/1067878033.db2.gz BFEMZCYUSFLAMV-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO C[NH+]1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000573509239 1067879509 /nfs/dbraw/zinc/87/95/09/1067879509.db2.gz KDDDEJUSPVKOEG-UHFFFAOYSA-N 1 0 438.554 -1.140 20 0 IAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000573671112 1067879922 /nfs/dbraw/zinc/87/99/22/1067879922.db2.gz OIWFAIZSQDYWOC-CABCVRRESA-N 1 0 431.559 -1.381 20 0 IAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000573671119 1067880028 /nfs/dbraw/zinc/88/00/28/1067880028.db2.gz OIWFAIZSQDYWOC-GJZGRUSLSA-N 1 0 431.559 -1.381 20 0 IAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000573671120 1067879894 /nfs/dbraw/zinc/87/98/94/1067879894.db2.gz OIWFAIZSQDYWOC-HUUCEWRRSA-N 1 0 431.559 -1.381 20 0 IAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000573671121 1067880002 /nfs/dbraw/zinc/88/00/02/1067880002.db2.gz OIWFAIZSQDYWOC-LSDHHAIUSA-N 1 0 431.559 -1.381 20 0 IAADRO CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C(=O)N1CCOCC1 ZINC000573756178 1068245389 /nfs/dbraw/zinc/24/53/89/1068245389.db2.gz UZTAVXAFPATFIQ-INIZCTEOSA-N 1 0 425.530 -1.247 20 0 IAADRO CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C(=O)N1CCOCC1 ZINC000573756179 1068245240 /nfs/dbraw/zinc/24/52/40/1068245240.db2.gz UZTAVXAFPATFIQ-MRXNPFEDSA-N 1 0 425.530 -1.247 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CCN2C1=O ZINC000574531762 1067882401 /nfs/dbraw/zinc/88/24/01/1067882401.db2.gz HPAIZKIIXWNAEY-DOTOQJQBSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CCN2C1=O ZINC000574531767 1067882318 /nfs/dbraw/zinc/88/23/18/1067882318.db2.gz HPAIZKIIXWNAEY-NVXWUHKLSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CCN2C1=O ZINC000574531768 1067882430 /nfs/dbraw/zinc/88/24/30/1067882430.db2.gz HPAIZKIIXWNAEY-RDJZCZTQSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)CCN2C1=O ZINC000574531769 1067882233 /nfs/dbraw/zinc/88/22/33/1067882233.db2.gz HPAIZKIIXWNAEY-WBVHZDCISA-N 1 0 439.513 -1.098 20 0 IAADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000574962385 1068247371 /nfs/dbraw/zinc/24/73/71/1068247371.db2.gz RDWJLXVFXKRVKN-KRWDZBQOSA-N 1 0 435.525 -1.351 20 0 IAADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000574962396 1068247426 /nfs/dbraw/zinc/24/74/26/1068247426.db2.gz RDWJLXVFXKRVKN-QGZVFWFLSA-N 1 0 435.525 -1.351 20 0 IAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000575010380 1067949067 /nfs/dbraw/zinc/94/90/67/1067949067.db2.gz OJWYXYVHSHZGAT-BZUAXINKSA-N 1 0 433.575 -1.059 20 0 IAADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575010381 1067949260 /nfs/dbraw/zinc/94/92/60/1067949260.db2.gz OJWYXYVHSHZGAT-HRCADAONSA-N 1 0 433.575 -1.059 20 0 IAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575010382 1067949313 /nfs/dbraw/zinc/94/93/13/1067949313.db2.gz OJWYXYVHSHZGAT-OAGGEKHMSA-N 1 0 433.575 -1.059 20 0 IAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000575010383 1067949154 /nfs/dbraw/zinc/94/91/54/1067949154.db2.gz OJWYXYVHSHZGAT-PMPSAXMXSA-N 1 0 433.575 -1.059 20 0 IAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)no1 ZINC000575205583 1067883232 /nfs/dbraw/zinc/88/32/32/1067883232.db2.gz XTTKOBSRXBXIAA-INIZCTEOSA-N 1 0 449.556 -0.935 20 0 IAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)no1 ZINC000575205584 1067882913 /nfs/dbraw/zinc/88/29/13/1067882913.db2.gz XTTKOBSRXBXIAA-MRXNPFEDSA-N 1 0 449.556 -0.935 20 0 IAADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000575366070 1068247465 /nfs/dbraw/zinc/24/74/65/1068247465.db2.gz JHFCNYNELQKQCE-UHFFFAOYSA-N 1 0 435.529 -1.344 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)cs1 ZINC000575828859 1068247980 /nfs/dbraw/zinc/24/79/80/1068247980.db2.gz APMSVZXLOWRKKU-UHFFFAOYSA-N 1 0 433.556 -1.021 20 0 IAADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000576176038 1068248750 /nfs/dbraw/zinc/24/87/50/1068248750.db2.gz YXHUQCMZKVEOBE-KRWDZBQOSA-N 1 0 425.467 -1.540 20 0 IAADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000576176039 1068248555 /nfs/dbraw/zinc/24/85/55/1068248555.db2.gz YXHUQCMZKVEOBE-QGZVFWFLSA-N 1 0 425.467 -1.540 20 0 IAADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000576190868 1067981998 /nfs/dbraw/zinc/98/19/98/1067981998.db2.gz YLGIQNWCZVXARY-AWEZNQCLSA-N 1 0 429.547 -0.840 20 0 IAADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000576190869 1067981840 /nfs/dbraw/zinc/98/18/40/1067981840.db2.gz YLGIQNWCZVXARY-CQSZACIVSA-N 1 0 429.547 -0.840 20 0 IAADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000576247798 1068249253 /nfs/dbraw/zinc/24/92/53/1068249253.db2.gz ZVTMOKRGLCJRSN-UHFFFAOYSA-N 1 0 444.602 -1.529 20 0 IAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000576364831 1068249383 /nfs/dbraw/zinc/24/93/83/1068249383.db2.gz KHIYASKEAGGMSA-UHFFFAOYSA-N 1 0 444.558 -1.354 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000576472445 1068249785 /nfs/dbraw/zinc/24/97/85/1068249785.db2.gz FWNGBKFOOWIUAV-UHFFFAOYSA-N 1 0 447.540 -1.346 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000576489219 1068249808 /nfs/dbraw/zinc/24/98/08/1068249808.db2.gz ACDKTSAVNFQSSL-INIZCTEOSA-N 1 0 428.497 -1.019 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000576489221 1068249843 /nfs/dbraw/zinc/24/98/43/1068249843.db2.gz ACDKTSAVNFQSSL-MRXNPFEDSA-N 1 0 428.497 -1.019 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC1CC[NH+](C3CC3)CC1)C2 ZINC000576669390 1068250829 /nfs/dbraw/zinc/25/08/29/1068250829.db2.gz BTQJGOLHGMKMGT-UHFFFAOYSA-N 1 0 433.513 -1.534 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cs1 ZINC000576726697 1068250608 /nfs/dbraw/zinc/25/06/08/1068250608.db2.gz ILBSKJLSBJKOEF-AWEZNQCLSA-N 1 0 444.583 -1.354 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cs1 ZINC000576726699 1068250767 /nfs/dbraw/zinc/25/07/67/1068250767.db2.gz ILBSKJLSBJKOEF-CQSZACIVSA-N 1 0 444.583 -1.354 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)N1CC[NH+](C)CC1 ZINC000576846571 1068251997 /nfs/dbraw/zinc/25/19/97/1068251997.db2.gz IZQZTPSCKHFZEW-KRWDZBQOSA-N 1 0 433.557 -1.183 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)N1CC[NH+](C)CC1 ZINC000576846584 1068252080 /nfs/dbraw/zinc/25/20/80/1068252080.db2.gz IZQZTPSCKHFZEW-QGZVFWFLSA-N 1 0 433.557 -1.183 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000577022641 1068252509 /nfs/dbraw/zinc/25/25/09/1068252509.db2.gz VRNPSUSRRNLRMT-CVEARBPZSA-N 1 0 448.611 -1.025 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000577022647 1068252607 /nfs/dbraw/zinc/25/26/07/1068252607.db2.gz VRNPSUSRRNLRMT-HOTGVXAUSA-N 1 0 448.611 -1.025 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000577022649 1068252631 /nfs/dbraw/zinc/25/26/31/1068252631.db2.gz VRNPSUSRRNLRMT-HZPDHXFCSA-N 1 0 448.611 -1.025 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000577022650 1068252641 /nfs/dbraw/zinc/25/26/41/1068252641.db2.gz VRNPSUSRRNLRMT-JKSUJKDBSA-N 1 0 448.611 -1.025 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000577238170 1068253285 /nfs/dbraw/zinc/25/32/85/1068253285.db2.gz UIGWNLLJQGSKHF-UHFFFAOYSA-N 1 0 433.556 -1.021 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000577323480 1068253250 /nfs/dbraw/zinc/25/32/50/1068253250.db2.gz FWOKHYVDAOOORJ-HNNXBMFYSA-N 1 0 435.529 -1.132 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000577323483 1068253380 /nfs/dbraw/zinc/25/33/80/1068253380.db2.gz FWOKHYVDAOOORJ-OAHLLOKOSA-N 1 0 435.529 -1.132 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000577847032 1068255256 /nfs/dbraw/zinc/25/52/56/1068255256.db2.gz OFYLOTAEGIYEDB-HNNXBMFYSA-N 1 0 428.559 -2.024 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000577847033 1068255445 /nfs/dbraw/zinc/25/54/45/1068255445.db2.gz OFYLOTAEGIYEDB-OAHLLOKOSA-N 1 0 428.559 -2.024 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000577943931 1068256145 /nfs/dbraw/zinc/25/61/45/1068256145.db2.gz JXLHSUPDIJTHSX-HOTGVXAUSA-N 1 0 449.574 -1.821 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000577943932 1068256206 /nfs/dbraw/zinc/25/62/06/1068256206.db2.gz JXLHSUPDIJTHSX-HZPDHXFCSA-N 1 0 449.574 -1.821 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577943933 1068255995 /nfs/dbraw/zinc/25/59/95/1068255995.db2.gz JXLHSUPDIJTHSX-IYBDPMFKSA-N 1 0 449.574 -1.821 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000578151392 1068256676 /nfs/dbraw/zinc/25/66/76/1068256676.db2.gz HABORSZRMCUBLT-UHFFFAOYSA-N 1 0 445.498 -2.094 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000578215304 1068256874 /nfs/dbraw/zinc/25/68/74/1068256874.db2.gz VVGMSDSSAXEYES-CVEARBPZSA-N 1 0 434.559 -1.278 20 0 IAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000578215305 1068256584 /nfs/dbraw/zinc/25/65/84/1068256584.db2.gz VVGMSDSSAXEYES-HOTGVXAUSA-N 1 0 434.559 -1.278 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000578215306 1068256728 /nfs/dbraw/zinc/25/67/28/1068256728.db2.gz VVGMSDSSAXEYES-HZPDHXFCSA-N 1 0 434.559 -1.278 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000578215307 1068256932 /nfs/dbraw/zinc/25/69/32/1068256932.db2.gz VVGMSDSSAXEYES-JKSUJKDBSA-N 1 0 434.559 -1.278 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000578348958 1068257402 /nfs/dbraw/zinc/25/74/02/1068257402.db2.gz ZENXZVOAMFMZEG-HNNXBMFYSA-N 1 0 425.486 -2.647 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000578348959 1068257630 /nfs/dbraw/zinc/25/76/30/1068257630.db2.gz ZENXZVOAMFMZEG-OAHLLOKOSA-N 1 0 425.486 -2.647 20 0 IAADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000578559925 1068257604 /nfs/dbraw/zinc/25/76/04/1068257604.db2.gz GTOWGPYCLAEQTQ-UHFFFAOYSA-N 1 0 437.541 -1.105 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000578612408 1068258341 /nfs/dbraw/zinc/25/83/41/1068258341.db2.gz XIRHQTKDYXRJMX-KRWDZBQOSA-N 1 0 436.557 -1.543 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000578612409 1068258048 /nfs/dbraw/zinc/25/80/48/1068258048.db2.gz XIRHQTKDYXRJMX-QGZVFWFLSA-N 1 0 436.557 -1.543 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)CCOCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000579005015 1068259605 /nfs/dbraw/zinc/25/96/05/1068259605.db2.gz CLIUMJKQBIJVGK-BBRMVZONSA-N 1 0 436.490 -1.127 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)CCOCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000579005016 1068259447 /nfs/dbraw/zinc/25/94/47/1068259447.db2.gz CLIUMJKQBIJVGK-CJNGLKHVSA-N 1 0 436.490 -1.127 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)CCOCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000579005017 1068259786 /nfs/dbraw/zinc/25/97/86/1068259786.db2.gz CLIUMJKQBIJVGK-CZUORRHYSA-N 1 0 436.490 -1.127 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)CCOCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000579005018 1068259715 /nfs/dbraw/zinc/25/97/15/1068259715.db2.gz CLIUMJKQBIJVGK-XJKSGUPXSA-N 1 0 436.490 -1.127 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000579019364 1068259630 /nfs/dbraw/zinc/25/96/30/1068259630.db2.gz YGLMDMUFNXYWST-CABCVRRESA-N 1 0 431.559 -1.415 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000579019365 1068259857 /nfs/dbraw/zinc/25/98/57/1068259857.db2.gz YGLMDMUFNXYWST-HUUCEWRRSA-N 1 0 431.559 -1.415 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000579042947 1068259803 /nfs/dbraw/zinc/25/98/03/1068259803.db2.gz VLFQEZFHZXWTHO-HNNXBMFYSA-N 1 0 433.513 -1.392 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000579042948 1068259483 /nfs/dbraw/zinc/25/94/83/1068259483.db2.gz VLFQEZFHZXWTHO-OAHLLOKOSA-N 1 0 433.513 -1.392 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000579158720 1068260468 /nfs/dbraw/zinc/26/04/68/1068260468.db2.gz KUGXUAYAFXFAQL-UHFFFAOYSA-N 1 0 443.526 -1.219 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000579406909 1068261165 /nfs/dbraw/zinc/26/11/65/1068261165.db2.gz SXIPVFFLELXVKY-OAHLLOKOSA-N 1 0 431.559 -1.461 20 0 IAADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccn1 ZINC000579519093 1068261884 /nfs/dbraw/zinc/26/18/84/1068261884.db2.gz ZXKPRCQFLQLECO-UHFFFAOYSA-N 1 0 446.508 -1.412 20 0 IAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000579614350 1068262821 /nfs/dbraw/zinc/26/28/21/1068262821.db2.gz AGWHAVACYHQCDH-CABCVRRESA-N 1 0 440.526 -1.632 20 0 IAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000579614351 1068262396 /nfs/dbraw/zinc/26/23/96/1068262396.db2.gz AGWHAVACYHQCDH-GJZGRUSLSA-N 1 0 440.526 -1.632 20 0 IAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000579614352 1068262301 /nfs/dbraw/zinc/26/23/01/1068262301.db2.gz AGWHAVACYHQCDH-HUUCEWRRSA-N 1 0 440.526 -1.632 20 0 IAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000579614353 1068262660 /nfs/dbraw/zinc/26/26/60/1068262660.db2.gz AGWHAVACYHQCDH-LSDHHAIUSA-N 1 0 440.526 -1.632 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)cn2)CC1 ZINC000579725150 1067617890 /nfs/dbraw/zinc/61/78/90/1067617890.db2.gz SPARPQJSIPQKCI-UHFFFAOYSA-N 1 0 431.541 -1.142 20 0 IAADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C1CC1 ZINC000579866182 1067620768 /nfs/dbraw/zinc/62/07/68/1067620768.db2.gz XQUOYXWCXOKRPK-UHFFFAOYSA-N 1 0 441.510 -1.188 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C2 ZINC000580593453 1067627666 /nfs/dbraw/zinc/62/76/66/1067627666.db2.gz MWKCLYIZELUXNX-UHFFFAOYSA-N 1 0 435.529 -1.287 20 0 IAADRO C[C@@H](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000580972619 1067628696 /nfs/dbraw/zinc/62/86/96/1067628696.db2.gz XTVOFBITTGKYAF-KRWDZBQOSA-N 1 0 437.541 -1.103 20 0 IAADRO C[C@H](CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000580972620 1067628648 /nfs/dbraw/zinc/62/86/48/1067628648.db2.gz XTVOFBITTGKYAF-QGZVFWFLSA-N 1 0 437.541 -1.103 20 0 IAADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000581198108 1067629798 /nfs/dbraw/zinc/62/97/98/1067629798.db2.gz KYOPUMSMATXQKJ-HOTGVXAUSA-N 1 0 449.556 -1.041 20 0 IAADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000581198118 1067629851 /nfs/dbraw/zinc/62/98/51/1067629851.db2.gz KYOPUMSMATXQKJ-HZPDHXFCSA-N 1 0 449.556 -1.041 20 0 IAADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000581198119 1067629892 /nfs/dbraw/zinc/62/98/92/1067629892.db2.gz KYOPUMSMATXQKJ-IYBDPMFKSA-N 1 0 449.556 -1.041 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000581327648 1067630221 /nfs/dbraw/zinc/63/02/21/1067630221.db2.gz MWRDFCKAZKTVFS-HNNXBMFYSA-N 1 0 442.542 -1.602 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000581327649 1067630364 /nfs/dbraw/zinc/63/03/64/1067630364.db2.gz MWRDFCKAZKTVFS-OAHLLOKOSA-N 1 0 442.542 -1.602 20 0 IAADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCO1 ZINC000581391025 1067630776 /nfs/dbraw/zinc/63/07/76/1067630776.db2.gz PBZAXLLQOSBKGV-GOSISDBHSA-N 1 0 439.557 -1.394 20 0 IAADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCO1 ZINC000581391026 1067630708 /nfs/dbraw/zinc/63/07/08/1067630708.db2.gz PBZAXLLQOSBKGV-SFHVURJKSA-N 1 0 439.557 -1.394 20 0 IAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCSC1 ZINC000581503328 1067630905 /nfs/dbraw/zinc/63/09/05/1067630905.db2.gz DFGZPOMSXBEYAQ-IBGZPJMESA-N 1 0 427.571 -1.457 20 0 IAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCSC1 ZINC000581503329 1067630797 /nfs/dbraw/zinc/63/07/97/1067630797.db2.gz DFGZPOMSXBEYAQ-LJQANCHMSA-N 1 0 427.571 -1.457 20 0 IAADRO O=C(CN1CCCC2(CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1)N1CCNC(=O)C1 ZINC000582129463 1067652186 /nfs/dbraw/zinc/65/21/86/1067652186.db2.gz CFMVVRINKXJIFM-UHFFFAOYSA-N 1 0 434.541 -1.919 20 0 IAADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000582133162 1067639191 /nfs/dbraw/zinc/63/91/91/1067639191.db2.gz LKQKOMHGRXTCDW-DZGCQCFKSA-N 1 0 425.511 -1.351 20 0 IAADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000582133163 1067639251 /nfs/dbraw/zinc/63/92/51/1067639251.db2.gz LKQKOMHGRXTCDW-HIFRSBDPSA-N 1 0 425.511 -1.351 20 0 IAADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000582133164 1067639303 /nfs/dbraw/zinc/63/93/03/1067639303.db2.gz LKQKOMHGRXTCDW-UKRRQHHQSA-N 1 0 425.511 -1.351 20 0 IAADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000582133165 1067639068 /nfs/dbraw/zinc/63/90/68/1067639068.db2.gz LKQKOMHGRXTCDW-ZFWWWQNUSA-N 1 0 425.511 -1.351 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1=O ZINC000582172593 1067639292 /nfs/dbraw/zinc/63/92/92/1067639292.db2.gz DBWCLHBEXUQAAU-HNNXBMFYSA-N 1 0 427.527 -1.003 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1=O ZINC000582172594 1067639265 /nfs/dbraw/zinc/63/92/65/1067639265.db2.gz DBWCLHBEXUQAAU-OAHLLOKOSA-N 1 0 427.527 -1.003 20 0 IAADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000582365668 1067640103 /nfs/dbraw/zinc/64/01/03/1067640103.db2.gz FRNYOERWOFBHSV-UHFFFAOYSA-N 1 0 435.616 -1.423 20 0 IAADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000582385092 1067640571 /nfs/dbraw/zinc/64/05/71/1067640571.db2.gz NKMREWZAFWRAAR-AWEZNQCLSA-N 1 0 443.526 -1.078 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000582431528 1067640610 /nfs/dbraw/zinc/64/06/10/1067640610.db2.gz HUSMADXPWFDDLK-DOTOQJQBSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000582431529 1067640527 /nfs/dbraw/zinc/64/05/27/1067640527.db2.gz HUSMADXPWFDDLK-NVXWUHKLSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000582431530 1067640503 /nfs/dbraw/zinc/64/05/03/1067640503.db2.gz HUSMADXPWFDDLK-RDJZCZTQSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000582431531 1067640649 /nfs/dbraw/zinc/64/06/49/1067640649.db2.gz HUSMADXPWFDDLK-WBVHZDCISA-N 1 0 437.522 -1.110 20 0 IAADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000582689614 1067642132 /nfs/dbraw/zinc/64/21/32/1067642132.db2.gz BCBOQQMMULAMKI-UHFFFAOYSA-N 1 0 433.513 -1.087 20 0 IAADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000582689817 1067642037 /nfs/dbraw/zinc/64/20/37/1067642037.db2.gz HQQLOKXTHJGZQG-UHFFFAOYSA-N 1 0 437.541 -1.103 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000582690330 1067642060 /nfs/dbraw/zinc/64/20/60/1067642060.db2.gz BGYSRDBDCJUDSA-UHFFFAOYSA-N 1 0 443.526 -1.219 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582742394 1067642103 /nfs/dbraw/zinc/64/21/03/1067642103.db2.gz CLPCEGLYXNRREH-CABCVRRESA-N 1 0 431.559 -1.415 20 0 IAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582742395 1067642185 /nfs/dbraw/zinc/64/21/85/1067642185.db2.gz CLPCEGLYXNRREH-GJZGRUSLSA-N 1 0 431.559 -1.415 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582742396 1067642163 /nfs/dbraw/zinc/64/21/63/1067642163.db2.gz CLPCEGLYXNRREH-HUUCEWRRSA-N 1 0 431.559 -1.415 20 0 IAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582742397 1067642008 /nfs/dbraw/zinc/64/20/08/1067642008.db2.gz CLPCEGLYXNRREH-LSDHHAIUSA-N 1 0 431.559 -1.415 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[N@H+](C)C1CC1 ZINC000582743181 1067642176 /nfs/dbraw/zinc/64/21/76/1067642176.db2.gz VZUPKPDVIWEDBO-GFCCVEGCSA-N 1 0 441.510 -1.190 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[N@H+](C)C1CC1 ZINC000582743182 1067642619 /nfs/dbraw/zinc/64/26/19/1067642619.db2.gz VZUPKPDVIWEDBO-LBPRGKRZSA-N 1 0 441.510 -1.190 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000582922269 1067643243 /nfs/dbraw/zinc/64/32/43/1067643243.db2.gz PZMLVHKQFROAFU-GOSISDBHSA-N 1 0 440.508 -1.018 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000582922270 1067643224 /nfs/dbraw/zinc/64/32/24/1067643224.db2.gz PZMLVHKQFROAFU-SFHVURJKSA-N 1 0 440.508 -1.018 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000583041201 1067643605 /nfs/dbraw/zinc/64/36/05/1067643605.db2.gz YMXYREKAKGDHNB-CVEARBPZSA-N 1 0 443.570 -1.284 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000583041202 1067643695 /nfs/dbraw/zinc/64/36/95/1067643695.db2.gz YMXYREKAKGDHNB-HOTGVXAUSA-N 1 0 443.570 -1.284 20 0 IAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000583041203 1067643789 /nfs/dbraw/zinc/64/37/89/1067643789.db2.gz YMXYREKAKGDHNB-HZPDHXFCSA-N 1 0 443.570 -1.284 20 0 IAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000583041204 1067643825 /nfs/dbraw/zinc/64/38/25/1067643825.db2.gz YMXYREKAKGDHNB-JKSUJKDBSA-N 1 0 443.570 -1.284 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000583106631 1067644270 /nfs/dbraw/zinc/64/42/70/1067644270.db2.gz MUXRWHLHTSZERI-DLBZAZTESA-N 1 0 448.528 -1.772 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000583106634 1067644330 /nfs/dbraw/zinc/64/43/30/1067644330.db2.gz MUXRWHLHTSZERI-IAGOWNOFSA-N 1 0 448.528 -1.772 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000583106635 1067644255 /nfs/dbraw/zinc/64/42/55/1067644255.db2.gz MUXRWHLHTSZERI-IRXDYDNUSA-N 1 0 448.528 -1.772 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000583106636 1067644303 /nfs/dbraw/zinc/64/43/03/1067644303.db2.gz MUXRWHLHTSZERI-SJORKVTESA-N 1 0 448.528 -1.772 20 0 IAADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000583111794 1067644137 /nfs/dbraw/zinc/64/41/37/1067644137.db2.gz KBUNFTYMWBCYML-NUJGCVRESA-N 1 0 445.524 -1.379 20 0 IAADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000583111798 1067644318 /nfs/dbraw/zinc/64/43/18/1067644318.db2.gz KBUNFTYMWBCYML-RYRKJORJSA-N 1 0 445.524 -1.379 20 0 IAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000583134289 1067644307 /nfs/dbraw/zinc/64/43/07/1067644307.db2.gz CFWQCDOUCXUMAV-HNNXBMFYSA-N 1 0 425.511 -1.249 20 0 IAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000583134290 1067644279 /nfs/dbraw/zinc/64/42/79/1067644279.db2.gz CFWQCDOUCXUMAV-OAHLLOKOSA-N 1 0 425.511 -1.249 20 0 IAADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000583220595 1067645014 /nfs/dbraw/zinc/64/50/14/1067645014.db2.gz IIDQNFQOPDSHBS-UHFFFAOYSA-N 1 0 435.525 -1.303 20 0 IAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)no1 ZINC000583253254 1067985707 /nfs/dbraw/zinc/98/57/07/1067985707.db2.gz LIMAXVGPCOAFJZ-UHFFFAOYSA-N 1 0 449.556 -0.790 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583274228 1067645174 /nfs/dbraw/zinc/64/51/74/1067645174.db2.gz RYHXXWNFKCYLMI-DOTOQJQBSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583274229 1067644965 /nfs/dbraw/zinc/64/49/65/1067644965.db2.gz RYHXXWNFKCYLMI-NVXWUHKLSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583274230 1067645024 /nfs/dbraw/zinc/64/50/24/1067645024.db2.gz RYHXXWNFKCYLMI-RDJZCZTQSA-N 1 0 437.522 -1.110 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000583274231 1067645158 /nfs/dbraw/zinc/64/51/58/1067645158.db2.gz RYHXXWNFKCYLMI-WBVHZDCISA-N 1 0 437.522 -1.110 20 0 IAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000583312642 1067644903 /nfs/dbraw/zinc/64/49/03/1067644903.db2.gz FDXTXLJQPUJFRA-JXFKEZNVSA-N 1 0 441.598 -1.069 20 0 IAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000583312643 1067645664 /nfs/dbraw/zinc/64/56/64/1067645664.db2.gz FDXTXLJQPUJFRA-OXJNMPFZSA-N 1 0 441.598 -1.069 20 0 IAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000583312644 1067645615 /nfs/dbraw/zinc/64/56/15/1067645615.db2.gz FDXTXLJQPUJFRA-OXQOHEQNSA-N 1 0 441.598 -1.069 20 0 IAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000583312645 1067645816 /nfs/dbraw/zinc/64/58/16/1067645816.db2.gz FDXTXLJQPUJFRA-UZLBHIALSA-N 1 0 441.598 -1.069 20 0 IAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000583395730 1067645536 /nfs/dbraw/zinc/64/55/36/1067645536.db2.gz JZPCIPVMUNDLBV-UHFFFAOYSA-N 1 0 435.533 -2.122 20 0 IAADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000583468506 1067646186 /nfs/dbraw/zinc/64/61/86/1067646186.db2.gz XNFPUBFGSFOOAT-UHFFFAOYSA-N 1 0 428.497 -1.236 20 0 IAADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000583516063 1067646883 /nfs/dbraw/zinc/64/68/83/1067646883.db2.gz KMKRANBJEDAGJL-INIZCTEOSA-N 1 0 438.554 -1.010 20 0 IAADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000583516064 1067646915 /nfs/dbraw/zinc/64/69/15/1067646915.db2.gz KMKRANBJEDAGJL-MRXNPFEDSA-N 1 0 438.554 -1.010 20 0 IAADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000583592502 1067647392 /nfs/dbraw/zinc/64/73/92/1067647392.db2.gz LMMJUQMKNKXZRG-APWZRJJASA-N 1 0 445.524 -1.377 20 0 IAADRO COc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000583706806 1067650267 /nfs/dbraw/zinc/65/02/67/1067650267.db2.gz XCHQWJHENMHKAK-UHFFFAOYSA-N 1 0 426.495 -1.122 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000583711351 1067650148 /nfs/dbraw/zinc/65/01/48/1067650148.db2.gz RMYUCLUIYATIBQ-DLBZAZTESA-N 1 0 426.562 -1.966 20 0 IAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000583711352 1067650244 /nfs/dbraw/zinc/65/02/44/1067650244.db2.gz RMYUCLUIYATIBQ-IAGOWNOFSA-N 1 0 426.562 -1.966 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000583711353 1067650345 /nfs/dbraw/zinc/65/03/45/1067650345.db2.gz RMYUCLUIYATIBQ-IRXDYDNUSA-N 1 0 426.562 -1.966 20 0 IAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000583711354 1067650301 /nfs/dbraw/zinc/65/03/01/1067650301.db2.gz RMYUCLUIYATIBQ-SJORKVTESA-N 1 0 426.562 -1.966 20 0 IAADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1c1ccccc1 ZINC000583715135 1067650110 /nfs/dbraw/zinc/65/01/10/1067650110.db2.gz VGKXDSMJAABQRC-AEFFLSMTSA-N 1 0 426.481 -1.095 20 0 IAADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1c1ccccc1 ZINC000583715136 1067650227 /nfs/dbraw/zinc/65/02/27/1067650227.db2.gz VGKXDSMJAABQRC-FUHWJXTLSA-N 1 0 426.481 -1.095 20 0 IAADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1c1ccccc1 ZINC000583715137 1067650368 /nfs/dbraw/zinc/65/03/68/1067650368.db2.gz VGKXDSMJAABQRC-SJLPKXTDSA-N 1 0 426.481 -1.095 20 0 IAADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1c1ccccc1 ZINC000583715138 1067650207 /nfs/dbraw/zinc/65/02/07/1067650207.db2.gz VGKXDSMJAABQRC-WMZOPIPTSA-N 1 0 426.481 -1.095 20 0 IAADRO O=C(CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)NCC[NH+]1CCCCCC1 ZINC000583887393 1067650905 /nfs/dbraw/zinc/65/09/05/1067650905.db2.gz JFDYFTINXJJGMZ-UHFFFAOYSA-N 1 0 449.556 -0.738 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000583951340 1067651377 /nfs/dbraw/zinc/65/13/77/1067651377.db2.gz WLHIBHGFBZWSEW-UHFFFAOYSA-N 1 0 444.602 -1.529 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000584043986 1067652217 /nfs/dbraw/zinc/65/22/17/1067652217.db2.gz HRKFSTQEIRLUMB-INIZCTEOSA-N 1 0 449.643 -1.129 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000584043987 1067652041 /nfs/dbraw/zinc/65/20/41/1067652041.db2.gz HRKFSTQEIRLUMB-MRXNPFEDSA-N 1 0 449.643 -1.129 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)cn1C ZINC000584342978 1067653523 /nfs/dbraw/zinc/65/35/23/1067653523.db2.gz QLZGUJVPWBLITH-HNNXBMFYSA-N 1 0 441.558 -2.077 20 0 IAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)cn1C ZINC000584342979 1067653585 /nfs/dbraw/zinc/65/35/85/1067653585.db2.gz QLZGUJVPWBLITH-OAHLLOKOSA-N 1 0 441.558 -2.077 20 0 IAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000584536313 1067665716 /nfs/dbraw/zinc/66/57/16/1067665716.db2.gz ZAUICNWVQLHXRJ-KRWDZBQOSA-N 1 0 436.557 -1.580 20 0 IAADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000584536314 1067665804 /nfs/dbraw/zinc/66/58/04/1067665804.db2.gz ZAUICNWVQLHXRJ-QGZVFWFLSA-N 1 0 436.557 -1.580 20 0 IAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000585774208 1067676837 /nfs/dbraw/zinc/67/68/37/1067676837.db2.gz QUFASTIUGHQUFM-KRWDZBQOSA-N 1 0 444.602 -2.082 20 0 IAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000585774209 1067676808 /nfs/dbraw/zinc/67/68/08/1067676808.db2.gz QUFASTIUGHQUFM-QGZVFWFLSA-N 1 0 444.602 -2.082 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000590168276 1067876430 /nfs/dbraw/zinc/87/64/30/1067876430.db2.gz NDWHMBDINSOFFF-INIZCTEOSA-N 1 0 432.591 -1.195 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000590168290 1067876654 /nfs/dbraw/zinc/87/66/54/1067876654.db2.gz NDWHMBDINSOFFF-MRXNPFEDSA-N 1 0 432.591 -1.195 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000590495066 1067876602 /nfs/dbraw/zinc/87/66/02/1067876602.db2.gz WATBRTUOORAJKU-UHFFFAOYSA-N 1 0 425.467 -1.526 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000590836956 1067877309 /nfs/dbraw/zinc/87/73/09/1067877309.db2.gz MARWBCLHOKTHKF-UHFFFAOYSA-N 1 0 430.575 -1.487 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)CC1 ZINC000590954148 1067877451 /nfs/dbraw/zinc/87/74/51/1067877451.db2.gz VJONDSXEHBBVCQ-UHFFFAOYSA-N 1 0 445.634 -1.167 20 0 IAADRO CN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000590954262 1067877499 /nfs/dbraw/zinc/87/74/99/1067877499.db2.gz YVWMGQGMQDUNDL-UHFFFAOYSA-N 1 0 432.591 -1.082 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000590982879 1067877586 /nfs/dbraw/zinc/87/75/86/1067877586.db2.gz VQOHFYSJFUABIG-UHFFFAOYSA-N 1 0 432.591 -1.241 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000591638124 1067879055 /nfs/dbraw/zinc/87/90/55/1067879055.db2.gz BIFPPXWQZDZJPM-MSOLQXFVSA-N 1 0 449.552 -1.151 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000591638125 1067878926 /nfs/dbraw/zinc/87/89/26/1067878926.db2.gz BIFPPXWQZDZJPM-QZTJIDSGSA-N 1 0 449.552 -1.151 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000591638126 1067878833 /nfs/dbraw/zinc/87/88/33/1067878833.db2.gz BIFPPXWQZDZJPM-ROUUACIJSA-N 1 0 449.552 -1.151 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000591638127 1067878976 /nfs/dbraw/zinc/87/89/76/1067878976.db2.gz BIFPPXWQZDZJPM-ZWKOTPCHSA-N 1 0 449.552 -1.151 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000593896755 1067881293 /nfs/dbraw/zinc/88/12/93/1067881293.db2.gz FKLDAEDEKWEIEU-INIZCTEOSA-N 1 0 437.522 -1.123 20 0 IAADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000593896756 1067881177 /nfs/dbraw/zinc/88/11/77/1067881177.db2.gz FKLDAEDEKWEIEU-MRXNPFEDSA-N 1 0 437.522 -1.123 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000594146040 1067881907 /nfs/dbraw/zinc/88/19/07/1067881907.db2.gz NWPKUYICWYRCTE-HNNXBMFYSA-N 1 0 432.547 -1.770 20 0 IAADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000594146041 1067882048 /nfs/dbraw/zinc/88/20/48/1067882048.db2.gz NWPKUYICWYRCTE-OAHLLOKOSA-N 1 0 432.547 -1.770 20 0 IAADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCN2C1=O ZINC000594875117 1067882592 /nfs/dbraw/zinc/88/25/92/1067882592.db2.gz VILWXSXIPQTURW-DOTOQJQBSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCN2C1=O ZINC000594875118 1067882823 /nfs/dbraw/zinc/88/28/23/1067882823.db2.gz VILWXSXIPQTURW-NVXWUHKLSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCN2C1=O ZINC000594875119 1067882732 /nfs/dbraw/zinc/88/27/32/1067882732.db2.gz VILWXSXIPQTURW-RDJZCZTQSA-N 1 0 439.513 -1.098 20 0 IAADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCN2C1=O ZINC000594875120 1067882879 /nfs/dbraw/zinc/88/28/79/1067882879.db2.gz VILWXSXIPQTURW-WBVHZDCISA-N 1 0 439.513 -1.098 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000597215791 1067883830 /nfs/dbraw/zinc/88/38/30/1067883830.db2.gz AEJQRDGPXRROBQ-UHFFFAOYSA-N 1 0 432.591 -1.195 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000600905650 1068254730 /nfs/dbraw/zinc/25/47/30/1068254730.db2.gz JXXPCXVBWQZHDP-BBWFWOEESA-N 1 0 432.591 -1.087 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000600905653 1068254825 /nfs/dbraw/zinc/25/48/25/1068254825.db2.gz JXXPCXVBWQZHDP-BRWVUGGUSA-N 1 0 432.591 -1.087 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000600905654 1068254879 /nfs/dbraw/zinc/25/48/79/1068254879.db2.gz JXXPCXVBWQZHDP-IXDOHACOSA-N 1 0 432.591 -1.087 20 0 IAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000600905655 1068254646 /nfs/dbraw/zinc/25/46/46/1068254646.db2.gz JXXPCXVBWQZHDP-ZACQAIPSSA-N 1 0 432.591 -1.087 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000600905777 1068254557 /nfs/dbraw/zinc/25/45/57/1068254557.db2.gz LZCAFORQFJDBCI-CYBMUJFWSA-N 1 0 428.515 -1.360 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000600905780 1068254596 /nfs/dbraw/zinc/25/45/96/1068254596.db2.gz LZCAFORQFJDBCI-ZDUSSCGKSA-N 1 0 428.515 -1.360 20 0 IAADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207449 1067886301 /nfs/dbraw/zinc/88/63/01/1067886301.db2.gz FMVNQJPBVCATMX-KRWDZBQOSA-N 1 0 436.557 -1.133 20 0 IAADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207452 1067886684 /nfs/dbraw/zinc/88/66/84/1067886684.db2.gz FMVNQJPBVCATMX-QGZVFWFLSA-N 1 0 436.557 -1.133 20 0 IAADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1C ZINC000604371690 1067886575 /nfs/dbraw/zinc/88/65/75/1067886575.db2.gz DLGMLANDYIUKDO-INIZCTEOSA-N 1 0 428.559 -1.080 20 0 IAADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1C ZINC000604371691 1067886446 /nfs/dbraw/zinc/88/64/46/1067886446.db2.gz DLGMLANDYIUKDO-MRXNPFEDSA-N 1 0 428.559 -1.080 20 0 IAADRO Cn1c2ncn(CCC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000604371821 1067886353 /nfs/dbraw/zinc/88/63/53/1067886353.db2.gz GTNBEJHJAPTCDJ-HNNXBMFYSA-N 1 0 433.513 -1.654 20 0 IAADRO Cn1c2ncn(CCC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000604371828 1067886543 /nfs/dbraw/zinc/88/65/43/1067886543.db2.gz GTNBEJHJAPTCDJ-OAHLLOKOSA-N 1 0 433.513 -1.654 20 0 IAADRO C[N@H+](CCCO)C1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000604607989 1067887041 /nfs/dbraw/zinc/88/70/41/1067887041.db2.gz JWCQZAFSOMLNMQ-UHFFFAOYSA-N 1 0 425.574 -1.232 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604648438 1067887651 /nfs/dbraw/zinc/88/76/51/1067887651.db2.gz UNAFEKPTZRLZHQ-KRWDZBQOSA-N 1 0 432.591 -1.731 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604648439 1067887466 /nfs/dbraw/zinc/88/74/66/1067887466.db2.gz UNAFEKPTZRLZHQ-QGZVFWFLSA-N 1 0 432.591 -1.731 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000604667680 1067886933 /nfs/dbraw/zinc/88/69/33/1067886933.db2.gz HJQFNDFOMAPOCQ-GOSISDBHSA-N 1 0 436.557 -1.131 20 0 IAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000604667681 1067887192 /nfs/dbraw/zinc/88/71/92/1067887192.db2.gz HJQFNDFOMAPOCQ-SFHVURJKSA-N 1 0 436.557 -1.131 20 0 IAADRO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667896 1067887013 /nfs/dbraw/zinc/88/70/13/1067887013.db2.gz MWUVLDRXHABMQH-IBGZPJMESA-N 1 0 438.573 -1.421 20 0 IAADRO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604667897 1067887111 /nfs/dbraw/zinc/88/71/11/1067887111.db2.gz MWUVLDRXHABMQH-LJQANCHMSA-N 1 0 438.573 -1.421 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cnc2n(C)c1=O ZINC000604681774 1067887606 /nfs/dbraw/zinc/88/76/06/1067887606.db2.gz HDSJVMCEHPMQDU-HNNXBMFYSA-N 1 0 443.508 -1.191 20 0 IAADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cnc2n(C)c1=O ZINC000604681775 1067887407 /nfs/dbraw/zinc/88/74/07/1067887407.db2.gz HDSJVMCEHPMQDU-OAHLLOKOSA-N 1 0 443.508 -1.191 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000605246269 1067618406 /nfs/dbraw/zinc/61/84/06/1067618406.db2.gz NHIWDXFFXOVRGU-UHFFFAOYSA-N 1 0 441.510 -1.560 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000605246356 1067618422 /nfs/dbraw/zinc/61/84/22/1067618422.db2.gz XRAIAYNDCRKVHX-UHFFFAOYSA-N 1 0 442.542 -1.204 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000605430042 1067889322 /nfs/dbraw/zinc/88/93/22/1067889322.db2.gz DRSOJQCRLMFTCQ-AWEZNQCLSA-N 1 0 445.524 -1.040 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000605430043 1067889590 /nfs/dbraw/zinc/88/95/90/1067889590.db2.gz DRSOJQCRLMFTCQ-CQSZACIVSA-N 1 0 445.524 -1.040 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000607285287 1067891883 /nfs/dbraw/zinc/89/18/83/1067891883.db2.gz RZUSHCXDYRNTPC-GFCCVEGCSA-N 1 0 429.499 -1.284 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000607285290 1067892073 /nfs/dbraw/zinc/89/20/73/1067892073.db2.gz RZUSHCXDYRNTPC-LBPRGKRZSA-N 1 0 429.499 -1.284 20 0 IAADRO Cn1c2ncn(CC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)c2c(=O)n(C)c1=O ZINC000607557917 1067891987 /nfs/dbraw/zinc/89/19/87/1067891987.db2.gz JSZFJNUVNMCSHQ-UHFFFAOYSA-N 1 0 431.457 -2.053 20 0 IAADRO Cn1c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000607679224 1067891999 /nfs/dbraw/zinc/89/19/99/1067891999.db2.gz SADKKVNMMJZJOO-UHFFFAOYSA-N 1 0 430.469 -1.298 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000607679390 1067892213 /nfs/dbraw/zinc/89/22/13/1067892213.db2.gz LZQSPIAYEWTNEM-INIZCTEOSA-N 1 0 435.529 -1.320 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000607679391 1067892008 /nfs/dbraw/zinc/89/20/08/1067892008.db2.gz LZQSPIAYEWTNEM-MRXNPFEDSA-N 1 0 435.529 -1.320 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687718 1067893542 /nfs/dbraw/zinc/89/35/42/1067893542.db2.gz OVXNWDWJFMHXJX-GOSISDBHSA-N 1 0 426.562 -1.517 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687727 1067893647 /nfs/dbraw/zinc/89/36/47/1067893647.db2.gz OVXNWDWJFMHXJX-SFHVURJKSA-N 1 0 426.562 -1.517 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000612331901 1067658854 /nfs/dbraw/zinc/65/88/54/1067658854.db2.gz ONULDEQWHGJXDC-UHFFFAOYSA-N 1 0 445.634 -1.168 20 0 IAADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000612334036 1067659467 /nfs/dbraw/zinc/65/94/67/1067659467.db2.gz XQKDQPIEMLUTRW-UHFFFAOYSA-N 1 0 432.591 -1.083 20 0 IAADRO CC(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612337481 1067659489 /nfs/dbraw/zinc/65/94/89/1067659489.db2.gz SANULWBDHMPMTK-GOSISDBHSA-N 1 0 438.573 -1.029 20 0 IAADRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000612337483 1067659318 /nfs/dbraw/zinc/65/93/18/1067659318.db2.gz SANULWBDHMPMTK-SFHVURJKSA-N 1 0 438.573 -1.029 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000613416506 1067662681 /nfs/dbraw/zinc/66/26/81/1067662681.db2.gz OFTCATGOODBJLY-DLBZAZTESA-N 1 0 430.571 -1.113 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000613416511 1067662744 /nfs/dbraw/zinc/66/27/44/1067662744.db2.gz OFTCATGOODBJLY-IAGOWNOFSA-N 1 0 430.571 -1.113 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000613416513 1067662448 /nfs/dbraw/zinc/66/24/48/1067662448.db2.gz OFTCATGOODBJLY-IRXDYDNUSA-N 1 0 430.571 -1.113 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000613416514 1067662459 /nfs/dbraw/zinc/66/24/59/1067662459.db2.gz OFTCATGOODBJLY-SJORKVTESA-N 1 0 430.571 -1.113 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000616316200 1067945093 /nfs/dbraw/zinc/94/50/93/1067945093.db2.gz YRPOSILYGYSGSS-INIZCTEOSA-N 1 0 445.524 -1.041 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)N1CC[NH+](C)CC1 ZINC000616316201 1067944936 /nfs/dbraw/zinc/94/49/36/1067944936.db2.gz YRPOSILYGYSGSS-MRXNPFEDSA-N 1 0 445.524 -1.041 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000619617987 1067947813 /nfs/dbraw/zinc/94/78/13/1067947813.db2.gz SEHWWIJVAXRJJL-UHFFFAOYSA-N 1 0 434.497 -1.562 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000619619782 1067947895 /nfs/dbraw/zinc/94/78/95/1067947895.db2.gz SFMSYJAKQBVEJP-UHFFFAOYSA-N 1 0 428.511 -1.038 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000620278138 1067948751 /nfs/dbraw/zinc/94/87/51/1067948751.db2.gz NVBKRFQPLCVMQB-UHFFFAOYSA-N 1 0 428.603 -1.161 20 0 IAADRO CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000634202418 1068263576 /nfs/dbraw/zinc/26/35/76/1068263576.db2.gz PEYSAFSHRMDRGX-KRWDZBQOSA-N 1 0 432.591 -1.083 20 0 IAADRO CN(C)S(=O)(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000634202424 1068263401 /nfs/dbraw/zinc/26/34/01/1068263401.db2.gz PEYSAFSHRMDRGX-QGZVFWFLSA-N 1 0 432.591 -1.083 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000641960235 1068264068 /nfs/dbraw/zinc/26/40/68/1068264068.db2.gz XQEHARWCWPQQDS-GOSISDBHSA-N 1 0 447.602 -1.346 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000641960236 1068263966 /nfs/dbraw/zinc/26/39/66/1068263966.db2.gz XQEHARWCWPQQDS-SFHVURJKSA-N 1 0 447.602 -1.346 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)C1 ZINC000642118478 1068265404 /nfs/dbraw/zinc/26/54/04/1068265404.db2.gz NZXQCPWJWWNWHM-CVEARBPZSA-N 1 0 439.513 -1.371 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)C1 ZINC000642118481 1068265443 /nfs/dbraw/zinc/26/54/43/1068265443.db2.gz NZXQCPWJWWNWHM-HOTGVXAUSA-N 1 0 439.513 -1.371 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)C1 ZINC000642118482 1068265357 /nfs/dbraw/zinc/26/53/57/1068265357.db2.gz NZXQCPWJWWNWHM-HZPDHXFCSA-N 1 0 439.513 -1.371 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)C1 ZINC000642118483 1068265644 /nfs/dbraw/zinc/26/56/44/1068265644.db2.gz NZXQCPWJWWNWHM-JKSUJKDBSA-N 1 0 439.513 -1.371 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000642219170 1068266259 /nfs/dbraw/zinc/26/62/59/1068266259.db2.gz FLBPKLAKISASQZ-UHFFFAOYSA-N 1 0 437.522 -1.347 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000642219198 1067896666 /nfs/dbraw/zinc/89/66/66/1067896666.db2.gz JRNOBCIXHHJPMB-UHFFFAOYSA-N 1 0 437.522 -1.347 20 0 IAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000642354845 1068266193 /nfs/dbraw/zinc/26/61/93/1068266193.db2.gz SIWFBWJKZGUKNQ-UHFFFAOYSA-N 1 0 427.527 -1.108 20 0 IAADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cn2)CC1 ZINC000642688839 1068267021 /nfs/dbraw/zinc/26/70/21/1068267021.db2.gz FUVDRUZAMWQHOW-UHFFFAOYSA-N 1 0 428.501 -1.126 20 0 IAADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000642970890 1068267822 /nfs/dbraw/zinc/26/78/22/1068267822.db2.gz DGEHPWASFZBLSE-AWEZNQCLSA-N 1 0 428.511 -1.007 20 0 IAADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000642970891 1068267707 /nfs/dbraw/zinc/26/77/07/1068267707.db2.gz DGEHPWASFZBLSE-CQSZACIVSA-N 1 0 428.511 -1.007 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000642971062 1068267746 /nfs/dbraw/zinc/26/77/46/1068267746.db2.gz UMVCFNBYFFIAKS-CYBMUJFWSA-N 1 0 444.510 -1.307 20 0 IAADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000642971063 1068267816 /nfs/dbraw/zinc/26/78/16/1068267816.db2.gz UMVCFNBYFFIAKS-ZDUSSCGKSA-N 1 0 444.510 -1.307 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000644888712 1067681081 /nfs/dbraw/zinc/68/10/81/1067681081.db2.gz XLQDDHKSYFLYEJ-UHFFFAOYSA-N 1 0 432.591 -1.145 20 0 IAADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000645624951 1068268287 /nfs/dbraw/zinc/26/82/87/1068268287.db2.gz GSDQGAGMLBTWOI-BBRMVZONSA-N 1 0 435.506 -1.092 20 0 IAADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@H]2C1 ZINC000645624960 1068268448 /nfs/dbraw/zinc/26/84/48/1068268448.db2.gz GSDQGAGMLBTWOI-CJNGLKHVSA-N 1 0 435.506 -1.092 20 0 IAADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@@H]2C1 ZINC000645624961 1068268649 /nfs/dbraw/zinc/26/86/49/1068268649.db2.gz GSDQGAGMLBTWOI-CZUORRHYSA-N 1 0 435.506 -1.092 20 0 IAADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@@H]2C1 ZINC000645624962 1068268527 /nfs/dbraw/zinc/26/85/27/1068268527.db2.gz GSDQGAGMLBTWOI-XJKSGUPXSA-N 1 0 435.506 -1.092 20 0 IAADRO O=C(Cn1cnnn1)NC[C@]1(NC(=O)Cn2cnnn2)CC[N@H+](Cc2ccccc2)C1 ZINC000670401016 1067926576 /nfs/dbraw/zinc/92/65/76/1067926576.db2.gz SVGFYSQKWLMRQQ-GOSISDBHSA-N 1 0 425.457 -1.763 20 0 IAADRO O=C(Cn1cnnn1)NC[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+](Cc2ccccc2)C1 ZINC000670401017 1067926528 /nfs/dbraw/zinc/92/65/28/1067926528.db2.gz SVGFYSQKWLMRQQ-SFHVURJKSA-N 1 0 425.457 -1.763 20 0 IAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCC1 ZINC000670509511 1067932448 /nfs/dbraw/zinc/93/24/48/1067932448.db2.gz QFJHEQBAXQHLEM-UHFFFAOYSA-N 1 0 437.541 -1.103 20 0 IAADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000670545126 1067933498 /nfs/dbraw/zinc/93/34/98/1067933498.db2.gz CQDAYFYIYJIGHQ-UHFFFAOYSA-N 1 0 444.602 -1.388 20 0 IAADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000670608313 1067937802 /nfs/dbraw/zinc/93/78/02/1067937802.db2.gz IUCNOJJPZBXNIO-GOSISDBHSA-N 1 0 439.582 -1.031 20 0 IAADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000670608314 1067937808 /nfs/dbraw/zinc/93/78/08/1067937808.db2.gz IUCNOJJPZBXNIO-SFHVURJKSA-N 1 0 439.582 -1.031 20 0 IAADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623479 1067938827 /nfs/dbraw/zinc/93/88/27/1067938827.db2.gz CZTONCYDUWHZBD-UHFFFAOYSA-N 1 0 437.566 -1.072 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000670671833 1067941724 /nfs/dbraw/zinc/94/17/24/1067941724.db2.gz NOYOYOJCXGFRMZ-INIZCTEOSA-N 1 0 433.575 -1.847 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000670671834 1067941745 /nfs/dbraw/zinc/94/17/45/1067941745.db2.gz NOYOYOJCXGFRMZ-MRXNPFEDSA-N 1 0 433.575 -1.847 20 0 IAADRO CC(C)[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000670834106 1067945804 /nfs/dbraw/zinc/94/58/04/1067945804.db2.gz SYEKFWRIKRNRAM-KRWDZBQOSA-N 1 0 446.618 -1.932 20 0 IAADRO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000670834107 1067945718 /nfs/dbraw/zinc/94/57/18/1067945718.db2.gz SYEKFWRIKRNRAM-QGZVFWFLSA-N 1 0 446.618 -1.932 20 0 IAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000670878217 1067693792 /nfs/dbraw/zinc/69/37/92/1067693792.db2.gz NNZYCVBLBSSPLM-UHFFFAOYSA-N 1 0 432.591 -2.178 20 0 IAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671034648 1067948374 /nfs/dbraw/zinc/94/83/74/1067948374.db2.gz BHMJECZLYUQPDZ-UHFFFAOYSA-N 1 0 446.618 -1.786 20 0 IAADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000671060116 1067949212 /nfs/dbraw/zinc/94/92/12/1067949212.db2.gz ZKBJISZIUGGBMI-INIZCTEOSA-N 1 0 438.554 -1.140 20 0 IAADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000671060117 1067949117 /nfs/dbraw/zinc/94/91/17/1067949117.db2.gz ZKBJISZIUGGBMI-MRXNPFEDSA-N 1 0 438.554 -1.140 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102255 1067949771 /nfs/dbraw/zinc/94/97/71/1067949771.db2.gz WSWPJLNCTBUEQD-DLBZAZTESA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102260 1067949796 /nfs/dbraw/zinc/94/97/96/1067949796.db2.gz WSWPJLNCTBUEQD-IAGOWNOFSA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102262 1067949598 /nfs/dbraw/zinc/94/95/98/1067949598.db2.gz WSWPJLNCTBUEQD-IRXDYDNUSA-N 1 0 442.586 -1.634 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102263 1067949757 /nfs/dbraw/zinc/94/97/57/1067949757.db2.gz WSWPJLNCTBUEQD-SJORKVTESA-N 1 0 442.586 -1.634 20 0 IAADRO C[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000671172283 1067950154 /nfs/dbraw/zinc/95/01/54/1067950154.db2.gz UINNGONWVBJOAN-INIZCTEOSA-N 1 0 432.591 -2.321 20 0 IAADRO C[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000671172290 1067950681 /nfs/dbraw/zinc/95/06/81/1067950681.db2.gz UINNGONWVBJOAN-MRXNPFEDSA-N 1 0 432.591 -2.321 20 0 IAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671173682 1067950713 /nfs/dbraw/zinc/95/07/13/1067950713.db2.gz HXUKDOMBRLKPCQ-KRWDZBQOSA-N 1 0 446.618 -1.930 20 0 IAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671173683 1067950599 /nfs/dbraw/zinc/95/05/99/1067950599.db2.gz HXUKDOMBRLKPCQ-QGZVFWFLSA-N 1 0 446.618 -1.930 20 0 IAADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671344226 1067950909 /nfs/dbraw/zinc/95/09/09/1067950909.db2.gz PAGHDFDTDPLSDF-GOSISDBHSA-N 1 0 439.582 -1.031 20 0 IAADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671344231 1067951028 /nfs/dbraw/zinc/95/10/28/1067951028.db2.gz PAGHDFDTDPLSDF-SFHVURJKSA-N 1 0 439.582 -1.031 20 0 IAADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356131 1067950993 /nfs/dbraw/zinc/95/09/93/1067950993.db2.gz ABRHKGSNRUWSKB-UHFFFAOYSA-N 1 0 447.602 -1.361 20 0 IAADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356139 1067951050 /nfs/dbraw/zinc/95/10/50/1067951050.db2.gz AJXCHTOYVTXKJR-UHFFFAOYSA-N 1 0 433.575 -2.015 20 0 IAADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356186 1067960666 /nfs/dbraw/zinc/96/06/66/1067960666.db2.gz BEFSDDQFCNZWGV-UHFFFAOYSA-N 1 0 433.575 -1.751 20 0 IAADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671356221 1067960524 /nfs/dbraw/zinc/96/05/24/1067960524.db2.gz CIYOZKUCPRFSHG-KRWDZBQOSA-N 1 0 429.587 -1.130 20 0 IAADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671356222 1067960597 /nfs/dbraw/zinc/96/05/97/1067960597.db2.gz CIYOZKUCPRFSHG-QGZVFWFLSA-N 1 0 429.587 -1.130 20 0 IAADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356517 1067951291 /nfs/dbraw/zinc/95/12/91/1067951291.db2.gz IYTJXEZZNMCCKX-UHFFFAOYSA-N 1 0 433.575 -1.703 20 0 IAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000671356527 1067952064 /nfs/dbraw/zinc/95/20/64/1067952064.db2.gz JCWXWIZBZIMZJS-KRWDZBQOSA-N 1 0 444.602 -2.082 20 0 IAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC000671356528 1067952128 /nfs/dbraw/zinc/95/21/28/1067952128.db2.gz JCWXWIZBZIMZJS-QGZVFWFLSA-N 1 0 444.602 -2.082 20 0 IAADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356631 1067952102 /nfs/dbraw/zinc/95/21/02/1067952102.db2.gz NWCOLLJKBIEAKF-UHFFFAOYSA-N 1 0 432.591 -2.224 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000671356823 1067951766 /nfs/dbraw/zinc/95/17/66/1067951766.db2.gz BQPDHYPZRIZULU-KRWDZBQOSA-N 1 0 445.586 -1.749 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000671356866 1067951755 /nfs/dbraw/zinc/95/17/55/1067951755.db2.gz BQPDHYPZRIZULU-QGZVFWFLSA-N 1 0 445.586 -1.749 20 0 IAADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000671356950 1067951389 /nfs/dbraw/zinc/95/13/89/1067951389.db2.gz CCOBBZXOMSXVQL-INIZCTEOSA-N 1 0 433.575 -1.703 20 0 IAADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000671356952 1067951231 /nfs/dbraw/zinc/95/12/31/1067951231.db2.gz CCOBBZXOMSXVQL-MRXNPFEDSA-N 1 0 433.575 -1.703 20 0 IAADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357100 1067950934 /nfs/dbraw/zinc/95/09/34/1067950934.db2.gz CJNXFOPIZMIBNE-INIZCTEOSA-N 1 0 445.586 -1.609 20 0 IAADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357102 1067951414 /nfs/dbraw/zinc/95/14/14/1067951414.db2.gz CJNXFOPIZMIBNE-MRXNPFEDSA-N 1 0 445.586 -1.609 20 0 IAADRO C[N@H+](CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000671357137 1067951351 /nfs/dbraw/zinc/95/13/51/1067951351.db2.gz VHXFKFVRAVKPRK-UHFFFAOYSA-N 1 0 425.555 -1.072 20 0 IAADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671357289 1067952346 /nfs/dbraw/zinc/95/23/46/1067952346.db2.gz FUUYHPHOVNMRJA-UHFFFAOYSA-N 1 0 447.602 -1.315 20 0 IAADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000671357348 1067953430 /nfs/dbraw/zinc/95/34/30/1067953430.db2.gz YSPSCNFNBJHFOC-HOTGVXAUSA-N 1 0 433.575 -1.705 20 0 IAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000671357415 1067953439 /nfs/dbraw/zinc/95/34/39/1067953439.db2.gz YSPSCNFNBJHFOC-HZPDHXFCSA-N 1 0 433.575 -1.705 20 0 IAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000671357416 1067953464 /nfs/dbraw/zinc/95/34/64/1067953464.db2.gz YSPSCNFNBJHFOC-IYBDPMFKSA-N 1 0 433.575 -1.705 20 0 IAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357445 1067952748 /nfs/dbraw/zinc/95/27/48/1067952748.db2.gz ZROYDBCXSAWIBS-INIZCTEOSA-N 1 0 444.602 -2.036 20 0 IAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357446 1067952793 /nfs/dbraw/zinc/95/27/93/1067952793.db2.gz ZROYDBCXSAWIBS-MRXNPFEDSA-N 1 0 444.602 -2.036 20 0 IAADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357531 1067953510 /nfs/dbraw/zinc/95/35/10/1067953510.db2.gz LXNVXIUPNDHIFX-UHFFFAOYSA-N 1 0 429.543 -1.137 20 0 IAADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671357933 1067952388 /nfs/dbraw/zinc/95/23/88/1067952388.db2.gz GQZZKGZCNJJJFQ-UHFFFAOYSA-N 1 0 447.602 -1.315 20 0 IAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1(C)C ZINC000671357976 1067961513 /nfs/dbraw/zinc/96/15/13/1067961513.db2.gz HGTDUTAPQZRRHL-UHFFFAOYSA-N 1 0 432.591 -2.178 20 0 IAADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358029 1067952698 /nfs/dbraw/zinc/95/26/98/1067952698.db2.gz HWLKHILZDQZFGI-KRWDZBQOSA-N 1 0 447.602 -1.361 20 0 IAADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358031 1067952767 /nfs/dbraw/zinc/95/27/67/1067952767.db2.gz HWLKHILZDQZFGI-QGZVFWFLSA-N 1 0 447.602 -1.361 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000671358326 1067952741 /nfs/dbraw/zinc/95/27/41/1067952741.db2.gz MQWFOMQWQUDJII-UHFFFAOYSA-N 1 0 445.586 -1.749 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000671358870 1067953861 /nfs/dbraw/zinc/95/38/61/1067953861.db2.gz GEHURXYUJCSYRD-UHFFFAOYSA-N 1 0 445.586 -1.559 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000671359533 1067954436 /nfs/dbraw/zinc/95/44/36/1067954436.db2.gz TUAMGGZHMQRGJV-UHFFFAOYSA-N 1 0 445.586 -1.749 20 0 IAADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671359593 1067954596 /nfs/dbraw/zinc/95/45/96/1067954596.db2.gz VQARSYXWOCLBNZ-KRWDZBQOSA-N 1 0 429.587 -1.130 20 0 IAADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671359594 1067954556 /nfs/dbraw/zinc/95/45/56/1067954556.db2.gz VQARSYXWOCLBNZ-QGZVFWFLSA-N 1 0 429.587 -1.130 20 0 IAADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359653 1067954490 /nfs/dbraw/zinc/95/44/90/1067954490.db2.gz XAKKWYICLBFBHE-INIZCTEOSA-N 1 0 433.575 -1.751 20 0 IAADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359654 1067954469 /nfs/dbraw/zinc/95/44/69/1067954469.db2.gz XAKKWYICLBFBHE-MRXNPFEDSA-N 1 0 433.575 -1.751 20 0 IAADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359659 1067954506 /nfs/dbraw/zinc/95/45/06/1067954506.db2.gz XDHXTXCZDYDKTP-UHFFFAOYSA-N 1 0 446.618 -1.836 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000671980936 1067961400 /nfs/dbraw/zinc/96/14/00/1067961400.db2.gz RTLOQVFPPXGGLA-HNNXBMFYSA-N 1 0 446.574 -2.617 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000671980937 1067961482 /nfs/dbraw/zinc/96/14/82/1067961482.db2.gz RTLOQVFPPXGGLA-OAHLLOKOSA-N 1 0 446.574 -2.617 20 0 IAADRO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015423 1067961935 /nfs/dbraw/zinc/96/19/35/1067961935.db2.gz WKULICYVYFVETG-INIZCTEOSA-N 1 0 444.602 -1.531 20 0 IAADRO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015424 1067961917 /nfs/dbraw/zinc/96/19/17/1067961917.db2.gz WKULICYVYFVETG-MRXNPFEDSA-N 1 0 444.602 -1.531 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309067 1067964475 /nfs/dbraw/zinc/96/44/75/1067964475.db2.gz KCJHZQLKCDCTTR-KRWDZBQOSA-N 1 0 442.586 -1.777 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672309074 1067964494 /nfs/dbraw/zinc/96/44/94/1067964494.db2.gz KCJHZQLKCDCTTR-QGZVFWFLSA-N 1 0 442.586 -1.777 20 0 IAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)C1 ZINC000672352116 1067964321 /nfs/dbraw/zinc/96/43/21/1067964321.db2.gz DEUZHDXSQMABFR-INIZCTEOSA-N 1 0 447.627 -1.280 20 0 IAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)C1 ZINC000672352117 1067964448 /nfs/dbraw/zinc/96/44/48/1067964448.db2.gz DEUZHDXSQMABFR-MRXNPFEDSA-N 1 0 447.627 -1.280 20 0 IAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352151 1067964545 /nfs/dbraw/zinc/96/45/45/1067964545.db2.gz JRKZWOXOGZLTIC-HNNXBMFYSA-N 1 0 447.627 -1.234 20 0 IAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352152 1067964453 /nfs/dbraw/zinc/96/44/53/1067964453.db2.gz JRKZWOXOGZLTIC-OAHLLOKOSA-N 1 0 447.627 -1.234 20 0 IAADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460781 1067965255 /nfs/dbraw/zinc/96/52/55/1067965255.db2.gz SEIBIKONGJHMSL-IAGOWNOFSA-N 1 0 432.591 -1.037 20 0 IAADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672460788 1067965213 /nfs/dbraw/zinc/96/52/13/1067965213.db2.gz SEIBIKONGJHMSL-SJORKVTESA-N 1 0 432.591 -1.037 20 0 IAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cn1ncn(C)c1=O)C(=O)Cn1ncn(C)c1=O ZINC000672466592 1067965609 /nfs/dbraw/zinc/96/56/09/1067965609.db2.gz RPZGLLVAYCKGJL-UHFFFAOYSA-N 1 0 449.516 -2.440 20 0 IAADRO CNS(=O)(=O)CC(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)CS(=O)(=O)NC ZINC000672466609 1067965725 /nfs/dbraw/zinc/96/57/25/1067965725.db2.gz UPSMIDBHRJIRMU-UHFFFAOYSA-N 1 0 441.576 -2.532 20 0 IAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cn1cccnc1=O)C(=O)Cn1cccnc1=O ZINC000672467378 1067965669 /nfs/dbraw/zinc/96/56/69/1067965669.db2.gz MMJZAQHLSBDGAG-UHFFFAOYSA-N 1 0 443.508 -1.117 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000672512972 1067965632 /nfs/dbraw/zinc/96/56/32/1067965632.db2.gz KWFPDCGHIHTSKZ-UHFFFAOYSA-N 1 0 436.557 -1.532 20 0 IAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637713 1067966676 /nfs/dbraw/zinc/96/66/76/1067966676.db2.gz NJZDPYNVARRTQA-HNNXBMFYSA-N 1 0 433.517 -2.371 20 0 IAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637714 1067966643 /nfs/dbraw/zinc/96/66/43/1067966643.db2.gz NJZDPYNVARRTQA-OAHLLOKOSA-N 1 0 433.517 -2.371 20 0 IAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639590 1067966478 /nfs/dbraw/zinc/96/64/78/1067966478.db2.gz QXPFVAMBCKZXND-INIZCTEOSA-N 1 0 434.541 -1.780 20 0 IAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639594 1067966543 /nfs/dbraw/zinc/96/65/43/1067966543.db2.gz QXPFVAMBCKZXND-MRXNPFEDSA-N 1 0 434.541 -1.780 20 0 IAADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642045 1067966563 /nfs/dbraw/zinc/96/65/63/1067966563.db2.gz WNJWUGQMDCGBEN-INIZCTEOSA-N 1 0 431.541 -1.286 20 0 IAADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642046 1067966444 /nfs/dbraw/zinc/96/64/44/1067966444.db2.gz WNJWUGQMDCGBEN-MRXNPFEDSA-N 1 0 431.541 -1.286 20 0 IAADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000672696866 1067966599 /nfs/dbraw/zinc/96/65/99/1067966599.db2.gz GJNIJPUKPPDPCZ-KRWDZBQOSA-N 1 0 444.602 -1.387 20 0 IAADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000672696871 1067966426 /nfs/dbraw/zinc/96/64/26/1067966426.db2.gz GJNIJPUKPPDPCZ-QGZVFWFLSA-N 1 0 444.602 -1.387 20 0 IAADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000673266097 1067967984 /nfs/dbraw/zinc/96/79/84/1067967984.db2.gz NNFGLXPKGOYFAK-CVEARBPZSA-N 1 0 445.524 -1.203 20 0 IAADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000673266104 1067968012 /nfs/dbraw/zinc/96/80/12/1067968012.db2.gz NNFGLXPKGOYFAK-HOTGVXAUSA-N 1 0 445.524 -1.203 20 0 IAADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000673266107 1067967970 /nfs/dbraw/zinc/96/79/70/1067967970.db2.gz NNFGLXPKGOYFAK-HZPDHXFCSA-N 1 0 445.524 -1.203 20 0 IAADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2=O)n1 ZINC000673266111 1067967899 /nfs/dbraw/zinc/96/78/99/1067967899.db2.gz NNFGLXPKGOYFAK-JKSUJKDBSA-N 1 0 445.524 -1.203 20 0 IAADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000673266814 1067968025 /nfs/dbraw/zinc/96/80/25/1067968025.db2.gz NCTKGTIXGPVLQI-INIZCTEOSA-N 1 0 445.524 -1.202 20 0 IAADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000673266815 1067967877 /nfs/dbraw/zinc/96/78/77/1067967877.db2.gz NCTKGTIXGPVLQI-MRXNPFEDSA-N 1 0 445.524 -1.202 20 0 IAADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000673338167 1067969019 /nfs/dbraw/zinc/96/90/19/1067969019.db2.gz YOTQPIVDHDYSIW-DLBZAZTESA-N 1 0 426.514 -1.310 20 0 IAADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000673338168 1067968970 /nfs/dbraw/zinc/96/89/70/1067968970.db2.gz YOTQPIVDHDYSIW-IAGOWNOFSA-N 1 0 426.514 -1.310 20 0 IAADRO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000673338169 1067969031 /nfs/dbraw/zinc/96/90/31/1067969031.db2.gz YOTQPIVDHDYSIW-IRXDYDNUSA-N 1 0 426.514 -1.310 20 0 IAADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000673338170 1067969058 /nfs/dbraw/zinc/96/90/58/1067969058.db2.gz YOTQPIVDHDYSIW-SJORKVTESA-N 1 0 426.514 -1.310 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582868 1067972877 /nfs/dbraw/zinc/97/28/77/1067972877.db2.gz NMHLPEFIMBPUBH-DLBZAZTESA-N 1 0 445.586 -1.826 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673582869 1067972977 /nfs/dbraw/zinc/97/29/77/1067972977.db2.gz NMHLPEFIMBPUBH-IAGOWNOFSA-N 1 0 445.586 -1.826 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582870 1067972968 /nfs/dbraw/zinc/97/29/68/1067972968.db2.gz NMHLPEFIMBPUBH-IRXDYDNUSA-N 1 0 445.586 -1.826 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673582871 1067972897 /nfs/dbraw/zinc/97/28/97/1067972897.db2.gz NMHLPEFIMBPUBH-SJORKVTESA-N 1 0 445.586 -1.826 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000673585824 1067972892 /nfs/dbraw/zinc/97/28/92/1067972892.db2.gz XZCMPHHGWDIZNH-MSOLQXFVSA-N 1 0 449.552 -1.180 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585825 1067972964 /nfs/dbraw/zinc/97/29/64/1067972964.db2.gz XZCMPHHGWDIZNH-QZTJIDSGSA-N 1 0 449.552 -1.180 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000673585826 1067972995 /nfs/dbraw/zinc/97/29/95/1067972995.db2.gz XZCMPHHGWDIZNH-ROUUACIJSA-N 1 0 449.552 -1.180 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585827 1067972937 /nfs/dbraw/zinc/97/29/37/1067972937.db2.gz XZCMPHHGWDIZNH-ZWKOTPCHSA-N 1 0 449.552 -1.180 20 0 IAADRO CCN1C(=O)[C@@H]2CN(CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502332 1067977340 /nfs/dbraw/zinc/97/73/40/1067977340.db2.gz TZJIJPZCXIYQMJ-HOTGVXAUSA-N 1 0 436.513 -1.060 20 0 IAADRO CCN1C(=O)[C@H]2CN(CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674502333 1067977209 /nfs/dbraw/zinc/97/72/09/1067977209.db2.gz TZJIJPZCXIYQMJ-HZPDHXFCSA-N 1 0 436.513 -1.060 20 0 IAADRO CCN1C(=O)[C@H]2CN(CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502335 1067977290 /nfs/dbraw/zinc/97/72/90/1067977290.db2.gz TZJIJPZCXIYQMJ-IYBDPMFKSA-N 1 0 436.513 -1.060 20 0 IAADRO O=C(CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1)N1CCOCC1 ZINC000674699555 1067977746 /nfs/dbraw/zinc/97/77/46/1067977746.db2.gz HLGHWSZFULFYMX-IBGZPJMESA-N 1 0 438.573 -1.421 20 0 IAADRO O=C(CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1)N1CCOCC1 ZINC000674699556 1067977880 /nfs/dbraw/zinc/97/78/80/1067977880.db2.gz HLGHWSZFULFYMX-LJQANCHMSA-N 1 0 438.573 -1.421 20 0 IAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)C1 ZINC000675209667 1067978312 /nfs/dbraw/zinc/97/83/12/1067978312.db2.gz LYGWLGTYDQMZGV-KRWDZBQOSA-N 1 0 447.540 -1.081 20 0 IAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)C1 ZINC000675209668 1067978428 /nfs/dbraw/zinc/97/84/28/1067978428.db2.gz LYGWLGTYDQMZGV-QGZVFWFLSA-N 1 0 447.540 -1.081 20 0 IAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)C1 ZINC000675594540 1067978770 /nfs/dbraw/zinc/97/87/70/1067978770.db2.gz ZYRNILZKFVQFIU-GOSISDBHSA-N 1 0 447.540 -1.081 20 0 IAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)C1 ZINC000675594541 1067979235 /nfs/dbraw/zinc/97/92/35/1067979235.db2.gz ZYRNILZKFVQFIU-SFHVURJKSA-N 1 0 447.540 -1.081 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675972018 1067979877 /nfs/dbraw/zinc/97/98/77/1067979877.db2.gz HRIZQSJBSPSRAT-INIZCTEOSA-N 1 0 430.575 -1.488 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675972019 1067979737 /nfs/dbraw/zinc/97/97/37/1067979737.db2.gz HRIZQSJBSPSRAT-MRXNPFEDSA-N 1 0 430.575 -1.488 20 0 IAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000676091225 1067980154 /nfs/dbraw/zinc/98/01/54/1067980154.db2.gz FESVJNWXYXMNIF-UHFFFAOYSA-N 1 0 443.530 -1.896 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cn1 ZINC000676091878 1067980262 /nfs/dbraw/zinc/98/02/62/1067980262.db2.gz LZMYTNCQQXLBSS-UHFFFAOYSA-N 1 0 448.528 -1.141 20 0 IAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000676091965 1067980301 /nfs/dbraw/zinc/98/03/01/1067980301.db2.gz QJNFMHAZOCQIEA-UHFFFAOYSA-N 1 0 435.485 -2.087 20 0 IAADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000676091975 1067980258 /nfs/dbraw/zinc/98/02/58/1067980258.db2.gz YXBKGVRRYDQDQM-UHFFFAOYSA-N 1 0 449.493 -1.073 20 0 IAADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000676092109 1067980199 /nfs/dbraw/zinc/98/01/99/1067980199.db2.gz XKKHMUOARCKCHL-UHFFFAOYSA-N 1 0 441.448 -1.265 20 0 IAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 ZINC000676095166 1067980263 /nfs/dbraw/zinc/98/02/63/1067980263.db2.gz IODQURILHXPQJQ-HNNXBMFYSA-N 1 0 430.531 -1.012 20 0 IAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 ZINC000676095167 1067980159 /nfs/dbraw/zinc/98/01/59/1067980159.db2.gz IODQURILHXPQJQ-OAHLLOKOSA-N 1 0 430.531 -1.012 20 0 IAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676281562 1067980265 /nfs/dbraw/zinc/98/02/65/1067980265.db2.gz NSDFGHTWAUKHMI-UHFFFAOYSA-N 1 0 430.531 -1.106 20 0 IAADRO Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]1 ZINC000676877616 1068277810 /nfs/dbraw/zinc/27/78/10/1068277810.db2.gz SWLQABJXANITCR-BETUJISGSA-N 1 0 428.453 -2.921 20 0 IAADRO Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)[nH+]1 ZINC000676877617 1068277652 /nfs/dbraw/zinc/27/76/52/1068277652.db2.gz SWLQABJXANITCR-CHWSQXEVSA-N 1 0 428.453 -2.921 20 0 IAADRO Cc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]1 ZINC000676877618 1068277753 /nfs/dbraw/zinc/27/77/53/1068277753.db2.gz SWLQABJXANITCR-STQMWFEESA-N 1 0 428.453 -2.921 20 0 IAADRO CC(C)C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(=O)NCC[NH+](C)C ZINC000677566292 1068278321 /nfs/dbraw/zinc/27/83/21/1068278321.db2.gz QDLXOJUOOWUJLK-INIZCTEOSA-N 1 0 434.607 -1.045 20 0 IAADRO CCN1C(=O)[C@@H]2CN(CC3(C[N@@H+]4CCN5C(=O)N(CC)C(=O)[C@@H]5C4)COC3)CCN2C1=O ZINC000679851181 1068281715 /nfs/dbraw/zinc/28/17/15/1068281715.db2.gz BDXQWFSGNHUCDT-HOTGVXAUSA-N 1 0 448.524 -1.060 20 0 IAADRO CCN1C(=O)[C@H]2CN(CC3(C[N@@H+]4CCN5C(=O)N(CC)C(=O)[C@H]5C4)COC3)CCN2C1=O ZINC000679851182 1068281648 /nfs/dbraw/zinc/28/16/48/1068281648.db2.gz BDXQWFSGNHUCDT-HZPDHXFCSA-N 1 0 448.524 -1.060 20 0 IAADRO CCN1C(=O)[C@H]2CN(CC3(C[N@@H+]4CCN5C(=O)N(CC)C(=O)[C@@H]5C4)COC3)CCN2C1=O ZINC000679851183 1068282334 /nfs/dbraw/zinc/28/23/34/1068282334.db2.gz BDXQWFSGNHUCDT-IYBDPMFKSA-N 1 0 448.524 -1.060 20 0 IAADRO CN(CCN1CCCS1(=O)=O)CC1(C[N@H+](C)CCN2CCCS2(=O)=O)COC1 ZINC000679852650 1068282472 /nfs/dbraw/zinc/28/24/72/1068282472.db2.gz MMWOVIWWXXWAPP-UHFFFAOYSA-N 1 0 438.616 -1.062 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000680941886 1068283441 /nfs/dbraw/zinc/28/34/41/1068283441.db2.gz FRORMXWGHMOKQA-GOSISDBHSA-N 1 0 439.557 -1.538 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000680941889 1068283499 /nfs/dbraw/zinc/28/34/99/1068283499.db2.gz FRORMXWGHMOKQA-SFHVURJKSA-N 1 0 439.557 -1.538 20 0 IAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000681102935 1068284239 /nfs/dbraw/zinc/28/42/39/1068284239.db2.gz JRFOOFAGIUWVMD-UHFFFAOYSA-N 1 0 442.542 -1.468 20 0 IAADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000682300646 1068285027 /nfs/dbraw/zinc/28/50/27/1068285027.db2.gz YGAVFGIGGDVSIE-UHFFFAOYSA-N 1 0 442.542 -1.204 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000682417763 1068285484 /nfs/dbraw/zinc/28/54/84/1068285484.db2.gz SGTWXUXUXJCZCO-HNNXBMFYSA-N 1 0 434.545 -1.173 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000682417764 1068285399 /nfs/dbraw/zinc/28/53/99/1068285399.db2.gz SGTWXUXUXJCZCO-OAHLLOKOSA-N 1 0 434.545 -1.173 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000682434810 1068286248 /nfs/dbraw/zinc/28/62/48/1068286248.db2.gz MJJPPACAVQDSRR-UHFFFAOYSA-N 1 0 439.436 -1.305 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000684572314 1067635518 /nfs/dbraw/zinc/63/55/18/1067635518.db2.gz VSKWOARFWDWLFE-UHFFFAOYSA-N 1 0 436.604 -1.083 20 0 IAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164134 1067646698 /nfs/dbraw/zinc/64/66/98/1067646698.db2.gz BXIKUQNAYZYMDD-DJIMGWMZSA-N 1 0 445.524 -1.205 20 0 IAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164136 1067647358 /nfs/dbraw/zinc/64/73/58/1067647358.db2.gz BXIKUQNAYZYMDD-HYVNUMGLSA-N 1 0 445.524 -1.205 20 0 IAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164137 1067647425 /nfs/dbraw/zinc/64/74/25/1067647425.db2.gz BXIKUQNAYZYMDD-OIISXLGYSA-N 1 0 445.524 -1.205 20 0 IAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685164138 1067647327 /nfs/dbraw/zinc/64/73/27/1067647327.db2.gz BXIKUQNAYZYMDD-PVAVHDDUSA-N 1 0 445.524 -1.205 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685172770 1067648686 /nfs/dbraw/zinc/64/86/86/1067648686.db2.gz FEDPMHHMECIVRM-HNNXBMFYSA-N 1 0 443.526 -1.219 20 0 IAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)C1 ZINC000685172859 1067648660 /nfs/dbraw/zinc/64/86/60/1067648660.db2.gz LTPBJHYZPIWNBE-INIZCTEOSA-N 1 0 442.542 -1.551 20 0 IAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)C1 ZINC000685172860 1067648550 /nfs/dbraw/zinc/64/85/50/1067648550.db2.gz LTPBJHYZPIWNBE-MRXNPFEDSA-N 1 0 442.542 -1.551 20 0 IAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175026 1067649129 /nfs/dbraw/zinc/64/91/29/1067649129.db2.gz YHCKOQFWSMYLSO-DOTOQJQBSA-N 1 0 445.524 -1.203 20 0 IAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175027 1067649697 /nfs/dbraw/zinc/64/96/97/1067649697.db2.gz YHCKOQFWSMYLSO-NVXWUHKLSA-N 1 0 445.524 -1.203 20 0 IAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175028 1067649787 /nfs/dbraw/zinc/64/97/87/1067649787.db2.gz YHCKOQFWSMYLSO-RDJZCZTQSA-N 1 0 445.524 -1.203 20 0 IAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685175029 1067649734 /nfs/dbraw/zinc/64/97/34/1067649734.db2.gz YHCKOQFWSMYLSO-WBVHZDCISA-N 1 0 445.524 -1.203 20 0 IAADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000685309592 1067653381 /nfs/dbraw/zinc/65/33/81/1067653381.db2.gz YPPQJJJIBKFRGW-DOTOQJQBSA-N 1 0 442.586 -1.778 20 0 IAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000685309602 1067653340 /nfs/dbraw/zinc/65/33/40/1067653340.db2.gz YPPQJJJIBKFRGW-NVXWUHKLSA-N 1 0 442.586 -1.778 20 0 IAADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000685309605 1067654129 /nfs/dbraw/zinc/65/41/29/1067654129.db2.gz YPPQJJJIBKFRGW-RDJZCZTQSA-N 1 0 442.586 -1.778 20 0 IAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000685309608 1067654159 /nfs/dbraw/zinc/65/41/59/1067654159.db2.gz YPPQJJJIBKFRGW-WBVHZDCISA-N 1 0 442.586 -1.778 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000728551312 1067644121 /nfs/dbraw/zinc/64/41/21/1067644121.db2.gz FOIWSINTZPTQFX-HNNXBMFYSA-N 1 0 439.538 -1.082 20 0 IAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000728551313 1067644346 /nfs/dbraw/zinc/64/43/46/1067644346.db2.gz FOIWSINTZPTQFX-OAHLLOKOSA-N 1 0 439.538 -1.082 20 0 IAADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000728914148 1067681708 /nfs/dbraw/zinc/68/17/08/1067681708.db2.gz CEGPOLPCDPXYOO-INIZCTEOSA-N 1 0 436.600 -1.279 20 0 IAADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000728914151 1067681721 /nfs/dbraw/zinc/68/17/21/1067681721.db2.gz CEGPOLPCDPXYOO-MRXNPFEDSA-N 1 0 436.600 -1.279 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000729501733 1067745494 /nfs/dbraw/zinc/74/54/94/1067745494.db2.gz OEZRWSIYIBHRJB-DLBZAZTESA-N 1 0 430.575 -1.331 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000729501734 1067745467 /nfs/dbraw/zinc/74/54/67/1067745467.db2.gz OEZRWSIYIBHRJB-IAGOWNOFSA-N 1 0 430.575 -1.331 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000729501735 1067745714 /nfs/dbraw/zinc/74/57/14/1067745714.db2.gz OEZRWSIYIBHRJB-IRXDYDNUSA-N 1 0 430.575 -1.331 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000729501736 1067745595 /nfs/dbraw/zinc/74/55/95/1067745595.db2.gz OEZRWSIYIBHRJB-SJORKVTESA-N 1 0 430.575 -1.331 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000745046005 1068006465 /nfs/dbraw/zinc/00/64/65/1068006465.db2.gz VFELGIOAEXRZHE-UHFFFAOYSA-N 1 0 444.452 -1.115 20 0 IAADRO NS(=O)(=O)N1CCN(CCCCCCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000746500017 1068012985 /nfs/dbraw/zinc/01/29/85/1068012985.db2.gz QUUMWPMQJJDMSM-UHFFFAOYSA-N 1 0 440.636 -1.031 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C1 ZINC000749587107 1068289905 /nfs/dbraw/zinc/28/99/05/1068289905.db2.gz LLMMYABAUQXRBS-AWEZNQCLSA-N 1 0 441.510 -1.028 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C1 ZINC000749587243 1068289649 /nfs/dbraw/zinc/28/96/49/1068289649.db2.gz LLMMYABAUQXRBS-CQSZACIVSA-N 1 0 441.510 -1.028 20 0 IAADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000749670820 1068290314 /nfs/dbraw/zinc/29/03/14/1068290314.db2.gz KFCHWMWUKQIFCF-UHFFFAOYSA-N 1 0 441.496 -1.266 20 0 IAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000754937025 1068297383 /nfs/dbraw/zinc/29/73/83/1068297383.db2.gz MNLJPMSJHMVLOU-UHFFFAOYSA-N 1 0 442.542 -1.121 20 0 IAADRO CCOC(=O)N1CCN(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000755972765 1068298599 /nfs/dbraw/zinc/29/85/99/1068298599.db2.gz KHXHRCSAOIGFEV-UHFFFAOYSA-N 1 0 431.519 -1.008 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000756462382 1068299341 /nfs/dbraw/zinc/29/93/41/1068299341.db2.gz GKWYRFVPMMTDPY-AWEZNQCLSA-N 1 0 431.515 -1.285 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000756462478 1068299284 /nfs/dbraw/zinc/29/92/84/1068299284.db2.gz GKWYRFVPMMTDPY-CQSZACIVSA-N 1 0 431.515 -1.285 20 0 IAADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000762918665 1067918263 /nfs/dbraw/zinc/91/82/63/1067918263.db2.gz ZZQURXWBBXVRHK-UHFFFAOYSA-N 1 0 429.499 -1.076 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000766341094 1068007643 /nfs/dbraw/zinc/00/76/43/1068007643.db2.gz RXHIDJPQUATBAV-GDBMZVCRSA-N 1 0 439.538 -1.083 20 0 IAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000766341097 1068007749 /nfs/dbraw/zinc/00/77/49/1068007749.db2.gz RXHIDJPQUATBAV-GOEBONIOSA-N 1 0 439.538 -1.083 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000766341099 1068008072 /nfs/dbraw/zinc/00/80/72/1068008072.db2.gz RXHIDJPQUATBAV-HOCLYGCPSA-N 1 0 439.538 -1.083 20 0 IAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000766341102 1068008321 /nfs/dbraw/zinc/00/83/21/1068008321.db2.gz RXHIDJPQUATBAV-ZBFHGGJFSA-N 1 0 439.538 -1.083 20 0 IAADRO Cn1cncc1[C@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000783974679 1068303674 /nfs/dbraw/zinc/30/36/74/1068303674.db2.gz RRGDYBZEXPGGKA-INIZCTEOSA-N 1 0 425.559 -1.197 20 0 IAADRO Cn1cncc1[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000783974700 1068303769 /nfs/dbraw/zinc/30/37/69/1068303769.db2.gz RRGDYBZEXPGGKA-MRXNPFEDSA-N 1 0 425.559 -1.197 20 0 IAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)CC1 ZINC000785212169 1067658392 /nfs/dbraw/zinc/65/83/92/1067658392.db2.gz QXQRDPSEKVJNRE-KRWDZBQOSA-N 1 0 428.493 -1.064 20 0 IAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000785212170 1067658429 /nfs/dbraw/zinc/65/84/29/1067658429.db2.gz QXQRDPSEKVJNRE-QGZVFWFLSA-N 1 0 428.493 -1.064 20 0 IAADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)CC1 ZINC000785212873 1067658422 /nfs/dbraw/zinc/65/84/22/1067658422.db2.gz VPDSHTFHDNFPNV-KRWDZBQOSA-N 1 0 428.493 -1.064 20 0 IAADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000785212875 1067658262 /nfs/dbraw/zinc/65/82/62/1067658262.db2.gz VPDSHTFHDNFPNV-QGZVFWFLSA-N 1 0 428.493 -1.064 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1=O ZINC000785645062 1068015017 /nfs/dbraw/zinc/01/50/17/1068015017.db2.gz DRSBIGWOXDIIJY-CHWSQXEVSA-N 1 0 435.481 -1.275 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1=O ZINC000785645073 1068015401 /nfs/dbraw/zinc/01/54/01/1068015401.db2.gz DRSBIGWOXDIIJY-OLZOCXBDSA-N 1 0 435.481 -1.275 20 0 IAADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1=O ZINC000785645077 1068015165 /nfs/dbraw/zinc/01/51/65/1068015165.db2.gz DRSBIGWOXDIIJY-QWHCGFSZSA-N 1 0 435.481 -1.275 20 0 IAADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1=O ZINC000785645081 1068015100 /nfs/dbraw/zinc/01/51/00/1068015100.db2.gz DRSBIGWOXDIIJY-STQMWFEESA-N 1 0 435.481 -1.275 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787104133 1068017889 /nfs/dbraw/zinc/01/78/89/1068017889.db2.gz FVPMQNMDAXEOPL-INIZCTEOSA-N 1 0 434.501 -1.897 20 0 IAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787104147 1068017687 /nfs/dbraw/zinc/01/76/87/1068017687.db2.gz FVPMQNMDAXEOPL-MRXNPFEDSA-N 1 0 434.501 -1.897 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787111493 1068017749 /nfs/dbraw/zinc/01/77/49/1068017749.db2.gz ZLROCCHDZWZNBZ-KRWDZBQOSA-N 1 0 435.525 -1.305 20 0 IAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787111494 1068017800 /nfs/dbraw/zinc/01/78/00/1068017800.db2.gz ZLROCCHDZWZNBZ-QGZVFWFLSA-N 1 0 435.525 -1.305 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787120712 1068017667 /nfs/dbraw/zinc/01/76/67/1068017667.db2.gz BXMZLHWDWXIHEH-KRWDZBQOSA-N 1 0 445.586 -1.561 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787120713 1068017986 /nfs/dbraw/zinc/01/79/86/1068017986.db2.gz BXMZLHWDWXIHEH-QGZVFWFLSA-N 1 0 445.586 -1.561 20 0 IAADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787185043 1068017705 /nfs/dbraw/zinc/01/77/05/1068017705.db2.gz QWTGMYNKWRSYDS-MSOLQXFVSA-N 1 0 443.504 -1.146 20 0 IAADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787185055 1068018033 /nfs/dbraw/zinc/01/80/33/1068018033.db2.gz QWTGMYNKWRSYDS-QZTJIDSGSA-N 1 0 443.504 -1.146 20 0 IAADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787185057 1068017813 /nfs/dbraw/zinc/01/78/13/1068017813.db2.gz QWTGMYNKWRSYDS-ROUUACIJSA-N 1 0 443.504 -1.146 20 0 IAADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787185060 1068018330 /nfs/dbraw/zinc/01/83/30/1068018330.db2.gz QWTGMYNKWRSYDS-ZWKOTPCHSA-N 1 0 443.504 -1.146 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)CC1 ZINC000790371151 1068021885 /nfs/dbraw/zinc/02/18/85/1068021885.db2.gz UYDZQBKTINFGGH-IBGZPJMESA-N 1 0 442.586 -1.030 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)CC1 ZINC000790371152 1068021992 /nfs/dbraw/zinc/02/19/92/1068021992.db2.gz UYDZQBKTINFGGH-LJQANCHMSA-N 1 0 442.586 -1.030 20 0 IAADRO C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793697471 1068023142 /nfs/dbraw/zinc/02/31/42/1068023142.db2.gz HSHAFRNOJRBFLF-KRWDZBQOSA-N 1 0 444.602 -1.387 20 0 IAADRO C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793697476 1068023557 /nfs/dbraw/zinc/02/35/57/1068023557.db2.gz HSHAFRNOJRBFLF-QGZVFWFLSA-N 1 0 444.602 -1.387 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793826432 1068024754 /nfs/dbraw/zinc/02/47/54/1068024754.db2.gz MAMQMUCSSMRCJY-HNNXBMFYSA-N 1 0 440.545 -1.456 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793826433 1068024509 /nfs/dbraw/zinc/02/45/09/1068024509.db2.gz MAMQMUCSSMRCJY-OAHLLOKOSA-N 1 0 440.545 -1.456 20 0 IAADRO CCOC(=O)N1CCN(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1 ZINC000798469872 1068305507 /nfs/dbraw/zinc/30/55/07/1068305507.db2.gz PUOTVEKIKWKBEV-UHFFFAOYSA-N 1 0 435.547 -1.272 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000798552293 1068305736 /nfs/dbraw/zinc/30/57/36/1068305736.db2.gz NRIGHSXPTCHOFK-UHFFFAOYSA-N 1 0 425.511 -1.267 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000798555490 1068305546 /nfs/dbraw/zinc/30/55/46/1068305546.db2.gz HOZGGHZEWHUQQC-UHFFFAOYSA-N 1 0 425.511 -1.267 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000799035581 1068305886 /nfs/dbraw/zinc/30/58/86/1068305886.db2.gz BZADRINSGCSTIJ-KRWDZBQOSA-N 1 0 425.511 -1.035 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000799035582 1068305780 /nfs/dbraw/zinc/30/57/80/1068305780.db2.gz BZADRINSGCSTIJ-QGZVFWFLSA-N 1 0 425.511 -1.035 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804053575 1068286729 /nfs/dbraw/zinc/28/67/29/1068286729.db2.gz KSMMBLPJDMWVLA-BRWVUGGUSA-N 1 0 446.570 -1.135 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804053578 1068286820 /nfs/dbraw/zinc/28/68/20/1068286820.db2.gz KSMMBLPJDMWVLA-GVDBMIGSSA-N 1 0 446.570 -1.135 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804053581 1068286921 /nfs/dbraw/zinc/28/69/21/1068286921.db2.gz KSMMBLPJDMWVLA-IXDOHACOSA-N 1 0 446.570 -1.135 20 0 IAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804053583 1068287166 /nfs/dbraw/zinc/28/71/66/1068287166.db2.gz KSMMBLPJDMWVLA-YESZJQIVSA-N 1 0 446.570 -1.135 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804057136 1068286669 /nfs/dbraw/zinc/28/66/69/1068286669.db2.gz VFWRQTFBYGDDCD-BZSNNMDCSA-N 1 0 439.557 -1.349 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804057137 1068287221 /nfs/dbraw/zinc/28/72/21/1068287221.db2.gz VFWRQTFBYGDDCD-KSZLIROESA-N 1 0 439.557 -1.349 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804057138 1068286965 /nfs/dbraw/zinc/28/69/65/1068286965.db2.gz VFWRQTFBYGDDCD-OKZBNKHCSA-N 1 0 439.557 -1.349 20 0 IAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804057139 1068287261 /nfs/dbraw/zinc/28/72/61/1068287261.db2.gz VFWRQTFBYGDDCD-RCCFBDPRSA-N 1 0 439.557 -1.349 20 0 IAADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000804057153 1068287105 /nfs/dbraw/zinc/28/71/05/1068287105.db2.gz VIVKKLWLZPMDKX-CVEARBPZSA-N 1 0 441.510 -1.372 20 0 IAADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000804057157 1068287280 /nfs/dbraw/zinc/28/72/80/1068287280.db2.gz VIVKKLWLZPMDKX-HOTGVXAUSA-N 1 0 441.510 -1.372 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000804057159 1068287138 /nfs/dbraw/zinc/28/71/38/1068287138.db2.gz VIVKKLWLZPMDKX-HZPDHXFCSA-N 1 0 441.510 -1.372 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000804057161 1068287191 /nfs/dbraw/zinc/28/71/91/1068287191.db2.gz VIVKKLWLZPMDKX-JKSUJKDBSA-N 1 0 441.510 -1.372 20 0 IAADRO O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000804059789 1068286607 /nfs/dbraw/zinc/28/66/07/1068286607.db2.gz KOZVCLATOJYNQP-DLBZAZTESA-N 1 0 445.524 -1.389 20 0 IAADRO O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000804059790 1068286780 /nfs/dbraw/zinc/28/67/80/1068286780.db2.gz KOZVCLATOJYNQP-IAGOWNOFSA-N 1 0 445.524 -1.389 20 0 IAADRO O=C(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000804059791 1068287076 /nfs/dbraw/zinc/28/70/76/1068287076.db2.gz KOZVCLATOJYNQP-IRXDYDNUSA-N 1 0 445.524 -1.389 20 0 IAADRO O=C(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000804059792 1068287298 /nfs/dbraw/zinc/28/72/98/1068287298.db2.gz KOZVCLATOJYNQP-SJORKVTESA-N 1 0 445.524 -1.389 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000804060674 1068286883 /nfs/dbraw/zinc/28/68/83/1068286883.db2.gz UGZYFEKRCJJROR-BBWFWOEESA-N 1 0 444.554 -1.381 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000804060675 1068287042 /nfs/dbraw/zinc/28/70/42/1068287042.db2.gz UGZYFEKRCJJROR-BRWVUGGUSA-N 1 0 444.554 -1.381 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000804060676 1068287239 /nfs/dbraw/zinc/28/72/39/1068287239.db2.gz UGZYFEKRCJJROR-GVDBMIGSSA-N 1 0 444.554 -1.381 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000804060677 1068287007 /nfs/dbraw/zinc/28/70/07/1068287007.db2.gz UGZYFEKRCJJROR-ZACQAIPSSA-N 1 0 444.554 -1.381 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061599 1068287696 /nfs/dbraw/zinc/28/76/96/1068287696.db2.gz ZJFDKOZVZFVVPG-CABCVRRESA-N 1 0 428.497 -1.009 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061602 1068287930 /nfs/dbraw/zinc/28/79/30/1068287930.db2.gz ZJFDKOZVZFVVPG-GJZGRUSLSA-N 1 0 428.497 -1.009 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061605 1068287869 /nfs/dbraw/zinc/28/78/69/1068287869.db2.gz ZJFDKOZVZFVVPG-HUUCEWRRSA-N 1 0 428.497 -1.009 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061606 1068287965 /nfs/dbraw/zinc/28/79/65/1068287965.db2.gz ZJFDKOZVZFVVPG-LSDHHAIUSA-N 1 0 428.497 -1.009 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000804062671 1068288035 /nfs/dbraw/zinc/28/80/35/1068288035.db2.gz JFYWVHASSZNLCQ-KBPBESRZSA-N 1 0 435.485 -2.545 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000804062672 1068287916 /nfs/dbraw/zinc/28/79/16/1068287916.db2.gz JFYWVHASSZNLCQ-KGLIPLIRSA-N 1 0 435.485 -2.545 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000804062673 1068287802 /nfs/dbraw/zinc/28/78/02/1068287802.db2.gz JFYWVHASSZNLCQ-UONOGXRCSA-N 1 0 435.485 -2.545 20 0 IAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000804062674 1068287818 /nfs/dbraw/zinc/28/78/18/1068287818.db2.gz JFYWVHASSZNLCQ-ZIAGYGMSSA-N 1 0 435.485 -2.545 20 0 IAADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000804062794 1068287855 /nfs/dbraw/zinc/28/78/55/1068287855.db2.gz LDMLGNWENFPXFN-CVEARBPZSA-N 1 0 437.497 -2.505 20 0 IAADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000804062795 1068287988 /nfs/dbraw/zinc/28/79/88/1068287988.db2.gz LDMLGNWENFPXFN-HOTGVXAUSA-N 1 0 437.497 -2.505 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000804062796 1068287890 /nfs/dbraw/zinc/28/78/90/1068287890.db2.gz LDMLGNWENFPXFN-HZPDHXFCSA-N 1 0 437.497 -2.505 20 0 IAADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000804062797 1068287830 /nfs/dbraw/zinc/28/78/30/1068287830.db2.gz LDMLGNWENFPXFN-JKSUJKDBSA-N 1 0 437.497 -2.505 20 0 IAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000804084478 1067980171 /nfs/dbraw/zinc/98/01/71/1067980171.db2.gz WXPBXHYXHFMYIU-UHFFFAOYSA-N 1 0 437.522 -1.026 20 0 IAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000806055770 1068028452 /nfs/dbraw/zinc/02/84/52/1068028452.db2.gz LKTOSLOAMVIGJN-HNNXBMFYSA-N 1 0 448.549 -1.358 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000806055771 1068028336 /nfs/dbraw/zinc/02/83/36/1068028336.db2.gz LKTOSLOAMVIGJN-OAHLLOKOSA-N 1 0 448.549 -1.358 20 0 IAADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000807816532 1068031044 /nfs/dbraw/zinc/03/10/44/1068031044.db2.gz GOLHACJXRUFYIT-UHFFFAOYSA-N 1 0 437.522 -1.026 20 0 IAADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000810042532 1068033253 /nfs/dbraw/zinc/03/32/53/1068033253.db2.gz YYXRYKJVIKPGAA-AWEZNQCLSA-N 1 0 431.602 -1.208 20 0 IAADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000810042533 1068033426 /nfs/dbraw/zinc/03/34/26/1068033426.db2.gz YYXRYKJVIKPGAA-CQSZACIVSA-N 1 0 431.602 -1.208 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1=O ZINC000816639475 1068038876 /nfs/dbraw/zinc/03/88/76/1068038876.db2.gz STBVEFMECIMBOI-HNNXBMFYSA-N 1 0 425.511 -1.221 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1=O ZINC000816639476 1068038958 /nfs/dbraw/zinc/03/89/58/1068038958.db2.gz STBVEFMECIMBOI-OAHLLOKOSA-N 1 0 425.511 -1.221 20 0 IAADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000849485726 1068567317 /nfs/dbraw/zinc/56/73/17/1068567317.db2.gz CQWYTODIINZXBD-MSOLQXFVSA-N 1 0 432.525 -1.015 20 0 IAADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000849485727 1068567481 /nfs/dbraw/zinc/56/74/81/1068567481.db2.gz CQWYTODIINZXBD-QZTJIDSGSA-N 1 0 432.525 -1.015 20 0 IAADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000849485728 1068567182 /nfs/dbraw/zinc/56/71/82/1068567182.db2.gz CQWYTODIINZXBD-ROUUACIJSA-N 1 0 432.525 -1.015 20 0 IAADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000849485729 1068567382 /nfs/dbraw/zinc/56/73/82/1068567382.db2.gz CQWYTODIINZXBD-ZWKOTPCHSA-N 1 0 432.525 -1.015 20 0 IAADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)N3CCOCC3)CC1)C2=O ZINC000913064338 1067870916 /nfs/dbraw/zinc/87/09/16/1067870916.db2.gz WDCHFLXNKRWCKG-UHFFFAOYSA-N 1 0 430.531 -1.845 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)CC1 ZINC000915208667 1067916936 /nfs/dbraw/zinc/91/69/36/1067916936.db2.gz QQMNSTRODPPRPL-UHFFFAOYSA-N 1 0 443.574 -1.930 20 0 IAADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000916980250 1067923127 /nfs/dbraw/zinc/92/31/27/1067923127.db2.gz GAYQRRKIZSLZRJ-INIZCTEOSA-N 1 0 432.543 -1.017 20 0 IAADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000916980251 1067923231 /nfs/dbraw/zinc/92/32/31/1067923231.db2.gz GAYQRRKIZSLZRJ-MRXNPFEDSA-N 1 0 432.543 -1.017 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000919128219 1067934424 /nfs/dbraw/zinc/93/44/24/1067934424.db2.gz CGUCMCFCGVGCKP-AWEZNQCLSA-N 1 0 431.515 -1.285 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000919128220 1067934370 /nfs/dbraw/zinc/93/43/70/1067934370.db2.gz CGUCMCFCGVGCKP-CQSZACIVSA-N 1 0 431.515 -1.285 20 0 IAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001116018350 1068308220 /nfs/dbraw/zinc/30/82/20/1068308220.db2.gz HUROTNRTCOQCHP-UHFFFAOYSA-N 1 0 433.513 -1.117 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116074787 1068307922 /nfs/dbraw/zinc/30/79/22/1068307922.db2.gz XJAPCOQNIRDYED-CVEARBPZSA-N 1 0 441.554 -1.325 20 0 IAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116074790 1068307997 /nfs/dbraw/zinc/30/79/97/1068307997.db2.gz XJAPCOQNIRDYED-HOTGVXAUSA-N 1 0 441.554 -1.325 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116074791 1068308349 /nfs/dbraw/zinc/30/83/49/1068308349.db2.gz XJAPCOQNIRDYED-HZPDHXFCSA-N 1 0 441.554 -1.325 20 0 IAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001116074792 1068308257 /nfs/dbraw/zinc/30/82/57/1068308257.db2.gz XJAPCOQNIRDYED-JKSUJKDBSA-N 1 0 441.554 -1.325 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116216220 1068309144 /nfs/dbraw/zinc/30/91/44/1068309144.db2.gz LTVVKPOEJTZYHS-HNNXBMFYSA-N 1 0 430.531 -1.200 20 0 IAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116216221 1068308974 /nfs/dbraw/zinc/30/89/74/1068308974.db2.gz LTVVKPOEJTZYHS-OAHLLOKOSA-N 1 0 430.531 -1.200 20 0 IAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)CN1C(=O)CCC1=O)C(=O)CN1C(=O)CCC1=O ZINC001123725218 1068314981 /nfs/dbraw/zinc/31/49/81/1068314981.db2.gz UPAIPGPBRBUHIM-UHFFFAOYSA-N 1 0 449.508 -1.333 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1=O ZINC001130707321 1068029090 /nfs/dbraw/zinc/02/90/90/1068029090.db2.gz QZAOJHALQPZTCH-UHFFFAOYSA-N 1 0 437.522 -1.347 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1=O ZINC001141740457 1068317011 /nfs/dbraw/zinc/31/70/11/1068317011.db2.gz ZFAWZLWBTAVZQS-DZOHQFGASA-N 1 0 436.513 -1.794 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1=O ZINC001141740458 1068316868 /nfs/dbraw/zinc/31/68/68/1068316868.db2.gz ZFAWZLWBTAVZQS-VDHUWJSZSA-N 1 0 436.513 -1.794 20 0 IAADRO O=C(CN1CC(=O)NC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001142088942 1068317849 /nfs/dbraw/zinc/31/78/49/1068317849.db2.gz NRQAJEGPTCRWFD-QWHCGFSZSA-N 1 0 434.478 -1.630 20 0 IAADRO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC(=O)NC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001142093318 1068317866 /nfs/dbraw/zinc/31/78/66/1068317866.db2.gz CPOVNRBELDMLSL-DRNBVBJMSA-N 1 0 429.518 -1.166 20 0 IAADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC(=O)NC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142093319 1068318041 /nfs/dbraw/zinc/31/80/41/1068318041.db2.gz CPOVNRBELDMLSL-HBRUNIRZSA-N 1 0 429.518 -1.166 20 0 IAADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC(=O)NC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001142093320 1068317906 /nfs/dbraw/zinc/31/79/06/1068317906.db2.gz CPOVNRBELDMLSL-LIHYCIDNSA-N 1 0 429.518 -1.166 20 0 IAADRO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC(=O)NC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142093321 1068318068 /nfs/dbraw/zinc/31/80/68/1068318068.db2.gz CPOVNRBELDMLSL-QINXNJMQSA-N 1 0 429.518 -1.166 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CC(=O)NC2=O)c2nonc21 ZINC001142093791 1068318105 /nfs/dbraw/zinc/31/81/05/1068318105.db2.gz XVFSMMXWKCAHAB-UHFFFAOYSA-N 1 0 425.427 -1.683 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1C ZINC001142214971 1068318515 /nfs/dbraw/zinc/31/85/15/1068318515.db2.gz KCXXJOOSDWKHGK-UHFFFAOYSA-N 1 0 428.559 -1.080 20 0 IAADRO Cc1cc(CCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)ccn1 ZINC001142253836 1068318450 /nfs/dbraw/zinc/31/84/50/1068318450.db2.gz LSQHFXGHJMZALC-VBVJRUAFSA-N 1 0 429.437 -1.270 20 0 IAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC001142385122 1068319012 /nfs/dbraw/zinc/31/90/12/1068319012.db2.gz VXTKEHJRMMFGQD-UHFFFAOYSA-N 1 0 431.497 -1.363 20 0 IAADRO Cn1c2ncn(CC(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)c2c(=O)n(C)c1=O ZINC001142385165 1068319130 /nfs/dbraw/zinc/31/91/30/1068319130.db2.gz XUWRSVMLHJOYLE-UHFFFAOYSA-N 1 0 442.480 -1.609 20 0 IAADRO Cn1c2ncn(CC(=O)N3CCCn4nnc(Cn5ccnc5)c4C3)c2c(=O)n(C)c1=O ZINC001142385402 1068318917 /nfs/dbraw/zinc/31/89/17/1068318917.db2.gz IXEZEXOBVSWAJH-UHFFFAOYSA-N 1 0 438.452 -1.298 20 0 IAADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001142385477 1068319469 /nfs/dbraw/zinc/31/94/69/1068319469.db2.gz MBGMYFWOYVAXSA-UHFFFAOYSA-N 1 0 445.524 -1.021 20 0 IAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC[C@@H]2C1 ZINC001142385642 1068319339 /nfs/dbraw/zinc/31/93/39/1068319339.db2.gz TZNPSBWXBGYRGD-HUUCEWRRSA-N 1 0 434.497 -1.371 20 0 IAADRO COCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001142822683 1068321378 /nfs/dbraw/zinc/32/13/78/1068321378.db2.gz FZWYFSXDYRATME-CMPLNLGQSA-N 1 0 426.430 -1.677 20 0 IAADRO COCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001142822684 1068321457 /nfs/dbraw/zinc/32/14/57/1068321457.db2.gz FZWYFSXDYRATME-JQWIXIFHSA-N 1 0 426.430 -1.677 20 0 IAADRO CCOCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001142830603 1068321531 /nfs/dbraw/zinc/32/15/31/1068321531.db2.gz WHCKHKNGNSZENB-AAEUAGOBSA-N 1 0 440.457 -1.287 20 0 IAADRO CCOCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001142830604 1068321483 /nfs/dbraw/zinc/32/14/83/1068321483.db2.gz WHCKHKNGNSZENB-WCQYABFASA-N 1 0 440.457 -1.287 20 0 IAADRO COc1cccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001142845225 1068321255 /nfs/dbraw/zinc/32/12/55/1068321255.db2.gz OBCDPZDJPDRASN-VBVJRUAFSA-N 1 0 430.421 -1.355 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(C)(C)O)C(N)=O ZINC001142908991 1068321560 /nfs/dbraw/zinc/32/15/60/1068321560.db2.gz MJNMRPCVXBNZAY-KKUMJFAQSA-N 1 0 427.546 -1.012 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)O)c(N)nc2=O ZINC001142909581 1068321110 /nfs/dbraw/zinc/32/11/10/1068321110.db2.gz BKCSSIDPNDIDRH-QWRGUYRKSA-N 1 0 440.457 -1.552 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)O)c(N)nc2=O ZINC001142909582 1068321329 /nfs/dbraw/zinc/32/13/29/1068321329.db2.gz BKCSSIDPNDIDRH-WDEREUQCSA-N 1 0 440.457 -1.552 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(N)=O)c(N)nc2=O ZINC001142934274 1068321054 /nfs/dbraw/zinc/32/10/54/1068321054.db2.gz BHPVHHBPEKUATI-DTWKUNHWSA-N 1 0 425.402 -2.838 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(N)=O)c(N)nc2=O ZINC001142934275 1068321427 /nfs/dbraw/zinc/32/14/27/1068321427.db2.gz BHPVHHBPEKUATI-IUCAKERBSA-N 1 0 425.402 -2.838 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCC(N)=O)C(N)=O ZINC001142961008 1068321802 /nfs/dbraw/zinc/32/18/02/1068321802.db2.gz DSLPYBYHBSMUEA-ZQIUZPCESA-N 1 0 440.545 -1.517 20 0 IAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001143031086 1068322042 /nfs/dbraw/zinc/32/20/42/1068322042.db2.gz PZWRWDMQKVGFRN-LTIDMASMSA-N 1 0 449.533 -1.201 20 0 IAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001143040170 1068321854 /nfs/dbraw/zinc/32/18/54/1068321854.db2.gz MSIVOMYLUHTKNV-YPMHNXCESA-N 1 0 440.482 -1.254 20 0 IAADRO CO[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001143104778 1068322011 /nfs/dbraw/zinc/32/20/11/1068322011.db2.gz RMZOGSPALKEPTJ-BVFPCPOISA-N 1 0 430.421 -1.219 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)COCc1ccccc1 ZINC001143217491 1068322698 /nfs/dbraw/zinc/32/26/98/1068322698.db2.gz CPIIQEVFHDIKHE-VBVJRUAFSA-N 1 0 430.421 -1.390 20 0 IAADRO C[NH+]1CCN(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001143230133 1068322519 /nfs/dbraw/zinc/32/25/19/1068322519.db2.gz DNHIETDYOFBOLS-KZNAEPCWSA-N 1 0 442.582 -1.256 20 0 IAADRO C[NH+]1CCN(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001143230200 1068322394 /nfs/dbraw/zinc/32/23/94/1068322394.db2.gz DNHIETDYOFBOLS-RCCFBDPRSA-N 1 0 442.582 -1.256 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCN1CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001143230752 1068322626 /nfs/dbraw/zinc/32/26/26/1068322626.db2.gz MSBYJOIMFIBCDO-IRXDYDNUSA-N 1 0 438.573 -1.253 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(=O)N(C)C)C(N)=O ZINC001143283622 1068322356 /nfs/dbraw/zinc/32/23/56/1068322356.db2.gz HUCPDOZXVJLNLT-KKUMJFAQSA-N 1 0 440.545 -1.695 20 0 IAADRO CCC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001143972067 1068042322 /nfs/dbraw/zinc/04/23/22/1068042322.db2.gz PQSDLXSXFFKOMN-CMPLNLGQSA-N 1 0 438.441 -1.344 20 0 IAADRO CCC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001143972068 1068042256 /nfs/dbraw/zinc/04/22/56/1068042256.db2.gz PQSDLXSXFFKOMN-JQWIXIFHSA-N 1 0 438.441 -1.344 20 0 IAADRO O=C([C@@H]1CC(=O)NC(=O)N1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144326161 1068042591 /nfs/dbraw/zinc/04/25/91/1068042591.db2.gz OONIIWSYXLVOQA-RWMBFGLXSA-N 1 0 434.478 -1.584 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC(=O)NC(=O)N2)c2nonc21 ZINC001144338417 1068042756 /nfs/dbraw/zinc/04/27/56/1068042756.db2.gz AJRLCYSTMAMCOJ-QMMMGPOBSA-N 1 0 425.427 -1.637 20 0 IAADRO C[C@@H](Oc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144503270 1068043130 /nfs/dbraw/zinc/04/31/30/1068043130.db2.gz ZDMNJEYLRGRCKI-PRMRHQKLSA-N 1 0 430.421 -1.139 20 0 IAADRO C[C@H](Oc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144503278 1068043269 /nfs/dbraw/zinc/04/32/69/1068043269.db2.gz ZDMNJEYLRGRCKI-WBHXIOPUSA-N 1 0 430.421 -1.139 20 0 IAADRO CC(C)(Br)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144559391 1068043310 /nfs/dbraw/zinc/04/33/10/1068043310.db2.gz FSRZSIVJCBAFCT-HUKYDQBMSA-N 1 0 431.247 -1.433 20 0 IAADRO NS(=O)(=O)CCCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144582199 1068043686 /nfs/dbraw/zinc/04/36/86/1068043686.db2.gz BRTVKWNFPOVLNF-UONOGXRCSA-N 1 0 443.551 -1.114 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCCS(N)(=O)=O)c2nonc21 ZINC001144595633 1068043166 /nfs/dbraw/zinc/04/31/66/1068043166.db2.gz WLSYBWZNSTZWQH-UHFFFAOYSA-N 1 0 434.500 -1.167 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1(Br)CCC1 ZINC001144748316 1068043648 /nfs/dbraw/zinc/04/36/48/1068043648.db2.gz AHZRXHOXDKYIIP-GRIPGOBMSA-N 1 0 443.258 -1.289 20 0 IAADRO O=C(C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892997 1068053540 /nfs/dbraw/zinc/05/35/40/1068053540.db2.gz APGRMSFWUGKZST-CMURFVSUSA-N 1 0 437.497 -2.376 20 0 IAADRO O=C(C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892999 1068053466 /nfs/dbraw/zinc/05/34/66/1068053466.db2.gz APGRMSFWUGKZST-GQLSEVEHSA-N 1 0 437.497 -2.376 20 0 IAADRO O=C(C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893001 1068053402 /nfs/dbraw/zinc/05/34/02/1068053402.db2.gz APGRMSFWUGKZST-NXBFSHDWSA-N 1 0 437.497 -2.376 20 0 IAADRO O=C(C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893002 1068053347 /nfs/dbraw/zinc/05/33/47/1068053347.db2.gz APGRMSFWUGKZST-OIGKAMSRSA-N 1 0 437.497 -2.376 20 0 IAADRO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C3)O2)CC1 ZINC001144894114 1068054167 /nfs/dbraw/zinc/05/41/67/1068054167.db2.gz FQNOCSPCSOIZKK-FLXNRXMOSA-N 1 0 429.514 -2.582 20 0 IAADRO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C3)O2)CC1 ZINC001144894116 1068054300 /nfs/dbraw/zinc/05/43/00/1068054300.db2.gz FQNOCSPCSOIZKK-ISIBIEBGSA-N 1 0 429.514 -2.582 20 0 IAADRO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C3)O2)CC1 ZINC001144894119 1068054190 /nfs/dbraw/zinc/05/41/90/1068054190.db2.gz FQNOCSPCSOIZKK-QRXRQMIZSA-N 1 0 429.514 -2.582 20 0 IAADRO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C3)O2)CC1 ZINC001144894121 1068054233 /nfs/dbraw/zinc/05/42/33/1068054233.db2.gz FQNOCSPCSOIZKK-YNIGFRRXSA-N 1 0 429.514 -2.582 20 0 IAADRO O=C(C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895280 1068044653 /nfs/dbraw/zinc/04/46/53/1068044653.db2.gz LMLMPQKOBOUPNH-ARFHVFGLSA-N 1 0 435.481 -2.138 20 0 IAADRO O=C(C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895281 1068044510 /nfs/dbraw/zinc/04/45/10/1068044510.db2.gz LMLMPQKOBOUPNH-BZUAXINKSA-N 1 0 435.481 -2.138 20 0 IAADRO O=C(C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895282 1068044553 /nfs/dbraw/zinc/04/45/53/1068044553.db2.gz LMLMPQKOBOUPNH-HRCADAONSA-N 1 0 435.481 -2.138 20 0 IAADRO O=C(C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895283 1068044760 /nfs/dbraw/zinc/04/47/60/1068044760.db2.gz LMLMPQKOBOUPNH-OWCLPIDISA-N 1 0 435.481 -2.138 20 0 IAADRO O=C(C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895680 1068045121 /nfs/dbraw/zinc/04/51/21/1068045121.db2.gz NKDFGPUDJSGDCY-BRWVUGGUSA-N 1 0 445.476 -1.990 20 0 IAADRO O=C(C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895681 1068045052 /nfs/dbraw/zinc/04/50/52/1068045052.db2.gz NKDFGPUDJSGDCY-GVDBMIGSSA-N 1 0 445.476 -1.990 20 0 IAADRO O=C(C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895682 1068044933 /nfs/dbraw/zinc/04/49/33/1068044933.db2.gz NKDFGPUDJSGDCY-IXDOHACOSA-N 1 0 445.476 -1.990 20 0 IAADRO O=C(C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895683 1068045388 /nfs/dbraw/zinc/04/53/88/1068045388.db2.gz NKDFGPUDJSGDCY-YESZJQIVSA-N 1 0 445.476 -1.990 20 0 IAADRO Cc1ccc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001144896180 1068045975 /nfs/dbraw/zinc/04/59/75/1068045975.db2.gz QDOXRTFENSGTPX-FGTMMUONSA-N 1 0 430.461 -1.218 20 0 IAADRO Cc1ccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001144896181 1068045813 /nfs/dbraw/zinc/04/58/13/1068045813.db2.gz QDOXRTFENSGTPX-KZNAEPCWSA-N 1 0 430.461 -1.218 20 0 IAADRO Cc1ccc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001144896182 1068045693 /nfs/dbraw/zinc/04/56/93/1068045693.db2.gz QDOXRTFENSGTPX-OKZBNKHCSA-N 1 0 430.461 -1.218 20 0 IAADRO Cc1ccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001144896183 1068045924 /nfs/dbraw/zinc/04/59/24/1068045924.db2.gz QDOXRTFENSGTPX-RCCFBDPRSA-N 1 0 430.461 -1.218 20 0 IAADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CCC2 ZINC001144896410 1068046178 /nfs/dbraw/zinc/04/61/78/1068046178.db2.gz QTXFRFMAYLQZJT-IAOVAPTHSA-N 1 0 426.470 -2.540 20 0 IAADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCC2 ZINC001144896411 1068046415 /nfs/dbraw/zinc/04/64/15/1068046415.db2.gz QTXFRFMAYLQZJT-KBRIMQKVSA-N 1 0 426.470 -2.540 20 0 IAADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC2 ZINC001144896412 1068046332 /nfs/dbraw/zinc/04/63/32/1068046332.db2.gz QTXFRFMAYLQZJT-RRQGHBQHSA-N 1 0 426.470 -2.540 20 0 IAADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CCC2 ZINC001144896413 1068046099 /nfs/dbraw/zinc/04/60/99/1068046099.db2.gz QTXFRFMAYLQZJT-XOKHGSTOSA-N 1 0 426.470 -2.540 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144896699 1068046274 /nfs/dbraw/zinc/04/62/74/1068046274.db2.gz SZCKMKJLFDMMTR-QLFBSQMISA-N 1 0 430.502 -3.673 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144896707 1068046251 /nfs/dbraw/zinc/04/62/51/1068046251.db2.gz SZCKMKJLFDMMTR-RBSFLKMASA-N 1 0 430.502 -3.673 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144896712 1068046390 /nfs/dbraw/zinc/04/63/90/1068046390.db2.gz SZCKMKJLFDMMTR-RRFJBIMHSA-N 1 0 430.502 -3.673 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144896716 1068046685 /nfs/dbraw/zinc/04/66/85/1068046685.db2.gz SZCKMKJLFDMMTR-SOUVJXGZSA-N 1 0 430.502 -3.673 20 0 IAADRO O=C(C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898984 1068048619 /nfs/dbraw/zinc/04/86/19/1068048619.db2.gz DLVQPTNKPPSJNW-ARFHVFGLSA-N 1 0 443.478 -2.524 20 0 IAADRO O=C(C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144898985 1068048420 /nfs/dbraw/zinc/04/84/20/1068048420.db2.gz DLVQPTNKPPSJNW-BZUAXINKSA-N 1 0 443.478 -2.524 20 0 IAADRO O=C(C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144898986 1068048485 /nfs/dbraw/zinc/04/84/85/1068048485.db2.gz DLVQPTNKPPSJNW-HRCADAONSA-N 1 0 443.478 -2.524 20 0 IAADRO O=C(C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144898987 1068048704 /nfs/dbraw/zinc/04/87/04/1068048704.db2.gz DLVQPTNKPPSJNW-OWCLPIDISA-N 1 0 443.478 -2.524 20 0 IAADRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901226 1068049532 /nfs/dbraw/zinc/04/95/32/1068049532.db2.gz ADLOWDGNRXTZMQ-BPQIPLTHSA-N 1 0 425.482 -1.192 20 0 IAADRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901227 1068049769 /nfs/dbraw/zinc/04/97/69/1068049769.db2.gz ADLOWDGNRXTZMQ-CGTJXYLNSA-N 1 0 425.482 -1.192 20 0 IAADRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901228 1068049670 /nfs/dbraw/zinc/04/96/70/1068049670.db2.gz ADLOWDGNRXTZMQ-KBAYOESNSA-N 1 0 425.482 -1.192 20 0 IAADRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901229 1068049791 /nfs/dbraw/zinc/04/97/91/1068049791.db2.gz ADLOWDGNRXTZMQ-RYQLBKOJSA-N 1 0 425.482 -1.192 20 0 IAADRO C[NH+](C)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144901934 1068050064 /nfs/dbraw/zinc/05/00/64/1068050064.db2.gz GBILSIGLTMDCPJ-CAOSSQGBSA-N 1 0 447.529 -1.580 20 0 IAADRO C[NH+](C)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144901935 1068050212 /nfs/dbraw/zinc/05/02/12/1068050212.db2.gz GBILSIGLTMDCPJ-KLHDSHLOSA-N 1 0 447.529 -1.580 20 0 IAADRO C[NH+](C)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144901936 1068050091 /nfs/dbraw/zinc/05/00/91/1068050091.db2.gz GBILSIGLTMDCPJ-QKPAOTATSA-N 1 0 447.529 -1.580 20 0 IAADRO C[NH+](C)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144901937 1068050024 /nfs/dbraw/zinc/05/00/24/1068050024.db2.gz GBILSIGLTMDCPJ-ZJIFWQFVSA-N 1 0 447.529 -1.580 20 0 IAADRO Cc1cnc2c(N(CC[NH3+])C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc3ccc(C)cc3n12 ZINC001144904923 1068051716 /nfs/dbraw/zinc/05/17/16/1068051716.db2.gz PZHOYVVCWOWMIN-ARFHVFGLSA-N 1 0 431.449 -1.565 20 0 IAADRO Cc1cnc2c(N(CC[NH3+])C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)nc3ccc(C)cc3n12 ZINC001144904924 1068051729 /nfs/dbraw/zinc/05/17/29/1068051729.db2.gz PZHOYVVCWOWMIN-BZUAXINKSA-N 1 0 431.449 -1.565 20 0 IAADRO Cc1cnc2c(N(CC[NH3+])C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc3ccc(C)cc3n12 ZINC001144904925 1068051564 /nfs/dbraw/zinc/05/15/64/1068051564.db2.gz PZHOYVVCWOWMIN-HRCADAONSA-N 1 0 431.449 -1.565 20 0 IAADRO Cc1cnc2c(N(CC[NH3+])C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)nc3ccc(C)cc3n12 ZINC001144904926 1068052060 /nfs/dbraw/zinc/05/20/60/1068052060.db2.gz PZHOYVVCWOWMIN-OWCLPIDISA-N 1 0 431.449 -1.565 20 0 IAADRO COC(=O)c1ccc(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144907681 1068053042 /nfs/dbraw/zinc/05/30/42/1068053042.db2.gz OBFIEHLCGJRLND-DUQPFJRNSA-N 1 0 438.477 -1.284 20 0 IAADRO COC(=O)c1ccc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144907685 1068053181 /nfs/dbraw/zinc/05/31/81/1068053181.db2.gz OBFIEHLCGJRLND-HSFUPAIVSA-N 1 0 438.477 -1.284 20 0 IAADRO COC(=O)c1ccc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144907686 1068053090 /nfs/dbraw/zinc/05/30/90/1068053090.db2.gz OBFIEHLCGJRLND-KFGODFMUSA-N 1 0 438.477 -1.284 20 0 IAADRO COC(=O)c1ccc(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001144907687 1068052880 /nfs/dbraw/zinc/05/28/80/1068052880.db2.gz OBFIEHLCGJRLND-NNPSNHGLSA-N 1 0 438.477 -1.284 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144908008 1068053132 /nfs/dbraw/zinc/05/31/32/1068053132.db2.gz YFVVCJAQFPDRLX-CAEXGNQWSA-N 1 0 431.486 -2.312 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144908009 1068052979 /nfs/dbraw/zinc/05/29/79/1068052979.db2.gz YFVVCJAQFPDRLX-GZBLMMOJSA-N 1 0 431.486 -2.312 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144908010 1068052928 /nfs/dbraw/zinc/05/29/28/1068052928.db2.gz YFVVCJAQFPDRLX-QKGCVVFFSA-N 1 0 431.486 -2.312 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144908011 1068053187 /nfs/dbraw/zinc/05/31/87/1068053187.db2.gz YFVVCJAQFPDRLX-XLWJZTARSA-N 1 0 431.486 -2.312 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2nonc21 ZINC001146628298 1068058505 /nfs/dbraw/zinc/05/85/05/1068058505.db2.gz FLIXLCBCJGPKSS-XHBSWPGZSA-N 1 0 441.466 -1.822 20 0 IAADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001146782393 1068058940 /nfs/dbraw/zinc/05/89/40/1068058940.db2.gz OILKLZOJXUUSDC-CYBMUJFWSA-N 1 0 427.527 -1.069 20 0 IAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001146782396 1068058853 /nfs/dbraw/zinc/05/88/53/1068058853.db2.gz OILKLZOJXUUSDC-ZDUSSCGKSA-N 1 0 427.527 -1.069 20 0 IAADRO NC(=O)c1nccnc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147753323 1068059893 /nfs/dbraw/zinc/05/98/93/1068059893.db2.gz OJLBUSFZPAYAAB-QWHCGFSZSA-N 1 0 443.489 -1.245 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2nccnc2C(N)=O)c2nonc21 ZINC001147760594 1068059544 /nfs/dbraw/zinc/05/95/44/1068059544.db2.gz VIGUHAHLKNRZPF-UHFFFAOYSA-N 1 0 434.438 -1.033 20 0 IAADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001147775406 1068059963 /nfs/dbraw/zinc/05/99/63/1068059963.db2.gz JYOBTVMNZCZDRE-HNNXBMFYSA-N 1 0 426.543 -1.494 20 0 IAADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001147775407 1068059802 /nfs/dbraw/zinc/05/98/02/1068059802.db2.gz JYOBTVMNZCZDRE-OAHLLOKOSA-N 1 0 426.543 -1.494 20 0 IAADRO Cn1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c2ccccc21 ZINC001148191321 1068060212 /nfs/dbraw/zinc/06/02/12/1068060212.db2.gz POXAQIXPKBULHE-DZDCQFRTSA-N 1 0 439.432 -1.067 20 0 IAADRO COC(=O)c1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001148239595 1068060401 /nfs/dbraw/zinc/06/04/01/1068060401.db2.gz SVQPTYATUFQKAM-YAMOITTJSA-N 1 0 444.404 -1.772 20 0 IAADRO CC(=O)c1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001148309049 1068060320 /nfs/dbraw/zinc/06/03/20/1068060320.db2.gz BRJGKJSCJLISKY-LZDVPDMXSA-N 1 0 428.405 -1.356 20 0 IAADRO COCc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001148448828 1068060764 /nfs/dbraw/zinc/06/07/64/1068060764.db2.gz RTDLBTOOEIVYRJ-LZDVPDMXSA-N 1 0 430.421 -1.412 20 0 IAADRO COc1cc(C)ccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001148576875 1068060549 /nfs/dbraw/zinc/06/05/49/1068060549.db2.gz FECSXLQRFCSOPG-LZDVPDMXSA-N 1 0 430.421 -1.241 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cnc2ccccc2c1 ZINC001149136637 1068323114 /nfs/dbraw/zinc/32/31/14/1068323114.db2.gz RDOVVOXIGGEGGX-DZDCQFRTSA-N 1 0 437.416 -1.010 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1nccc2ccccc21 ZINC001149151960 1068323179 /nfs/dbraw/zinc/32/31/79/1068323179.db2.gz MZMANABQTBGHIM-KHQJXUJBSA-N 1 0 437.416 -1.010 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccc2c1OCC2 ZINC001149186869 1068322892 /nfs/dbraw/zinc/32/28/92/1068322892.db2.gz ZVZHEPDPBHCLIR-RDTWTUCRSA-N 1 0 428.405 -1.624 20 0 IAADRO Cn1ccc2cc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)ccc21 ZINC001149235213 1068316296 /nfs/dbraw/zinc/31/62/96/1068316296.db2.gz ROVHNHBTPJFYEY-DZDCQFRTSA-N 1 0 439.432 -1.067 20 0 IAADRO CN(C)C(=O)CN1Cc2c(C(=O)NC3(C[NH3+])COC3)ncn2-c2ccccc2S1(=O)=O ZINC001150383719 1068324598 /nfs/dbraw/zinc/32/45/98/1068324598.db2.gz NREPWQYBEKOFND-UHFFFAOYSA-N 1 0 448.505 -1.078 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150449669 1068325216 /nfs/dbraw/zinc/32/52/16/1068325216.db2.gz VTNTXFAOKKIODV-LLVKDONJSA-N 1 0 430.512 -1.161 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150449670 1068325241 /nfs/dbraw/zinc/32/52/41/1068325241.db2.gz VTNTXFAOKKIODV-NSHDSACASA-N 1 0 430.512 -1.161 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cncc2ccccc21 ZINC001150923789 1068325791 /nfs/dbraw/zinc/32/57/91/1068325791.db2.gz BYPCSINVEUYDOW-DZDCQFRTSA-N 1 0 437.416 -1.010 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cc2ccccc2cn1 ZINC001151700178 1068326474 /nfs/dbraw/zinc/32/64/74/1068326474.db2.gz YSMAMUZYKKGPPR-DZDCQFRTSA-N 1 0 437.416 -1.010 20 0 IAADRO Cn1nnc2c1CCN(C(=O)c1ncn3c1nnn(C)c3=O)[C@H]2COCC[NH+]1CCCC1 ZINC001152745958 1068327620 /nfs/dbraw/zinc/32/76/20/1068327620.db2.gz XHKHIYDXXONYEN-AWEZNQCLSA-N 1 0 442.484 -1.197 20 0 IAADRO Cn1nnc2c1CCN(C(=O)c1ncn3c1nnn(C)c3=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001152745959 1068327368 /nfs/dbraw/zinc/32/73/68/1068327368.db2.gz XHKHIYDXXONYEN-CQSZACIVSA-N 1 0 442.484 -1.197 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ncn3c1nnn(C)c3=O)CC2 ZINC001152746020 1068327389 /nfs/dbraw/zinc/32/73/89/1068327389.db2.gz ZCPFKOGWYUPDQM-UHFFFAOYSA-N 1 0 431.501 -1.867 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc2c(c1)OCC2 ZINC001153361200 1068328436 /nfs/dbraw/zinc/32/84/36/1068328436.db2.gz DPUWBHMBICRNHC-LZDVPDMXSA-N 1 0 428.405 -1.624 20 0 IAADRO CN1CCc2c1cccc2C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001154157175 1068328992 /nfs/dbraw/zinc/32/89/92/1068328992.db2.gz VCMUBWDQWKFNPA-DZDCQFRTSA-N 1 0 441.448 -1.566 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccc2c1C(=O)CC2 ZINC001154407240 1068329305 /nfs/dbraw/zinc/32/93/05/1068329305.db2.gz OXNBQUAYNNLTKF-FKQYMORYSA-N 1 0 440.416 -1.430 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc2ccncc2c1 ZINC001154600657 1068329345 /nfs/dbraw/zinc/32/93/45/1068329345.db2.gz JCVFNHQOVRTMGK-DZDCQFRTSA-N 1 0 437.416 -1.010 20 0 IAADRO COC(=O)c1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001155581079 1068329856 /nfs/dbraw/zinc/32/98/56/1068329856.db2.gz QLYNZLWYLQXBNL-CXAGYDPISA-N 1 0 425.467 -1.121 20 0 IAADRO COC(=O)c1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001155581080 1068329911 /nfs/dbraw/zinc/32/99/11/1068329911.db2.gz QLYNZLWYLQXBNL-DYVFJYSZSA-N 1 0 425.467 -1.121 20 0 IAADRO COC(=O)c1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001155581081 1068330395 /nfs/dbraw/zinc/33/03/95/1068330395.db2.gz QLYNZLWYLQXBNL-GUYCJALGSA-N 1 0 425.467 -1.121 20 0 IAADRO COC(=O)c1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001155581082 1068330247 /nfs/dbraw/zinc/33/02/47/1068330247.db2.gz QLYNZLWYLQXBNL-SUMWQHHRSA-N 1 0 425.467 -1.121 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccc2c1CCCO2 ZINC001155607906 1068330567 /nfs/dbraw/zinc/33/05/67/1068330567.db2.gz SBSULHYWEVZMBW-DZDCQFRTSA-N 1 0 442.432 -1.233 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cc2c(s1)CCOC2 ZINC001155835491 1068330508 /nfs/dbraw/zinc/33/05/08/1068330508.db2.gz GFXUUSFRKCOTTL-ADFJHRIASA-N 1 0 448.461 -1.424 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccn2ccccc12 ZINC001156474911 1068331030 /nfs/dbraw/zinc/33/10/30/1068331030.db2.gz HWHOAJIOTSEQPW-LZDVPDMXSA-N 1 0 425.405 -1.306 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc2c(c1)C(=O)OC2 ZINC001157191224 1068331697 /nfs/dbraw/zinc/33/16/97/1068331697.db2.gz LQOXGCZZESAJMN-YAMOITTJSA-N 1 0 442.388 -1.888 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157302945 1068331994 /nfs/dbraw/zinc/33/19/94/1068331994.db2.gz CGHRGPFSEPHBAM-CVEARBPZSA-N 1 0 436.534 -1.270 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157302948 1068332172 /nfs/dbraw/zinc/33/21/72/1068332172.db2.gz CGHRGPFSEPHBAM-HOTGVXAUSA-N 1 0 436.534 -1.270 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157303505 1068331892 /nfs/dbraw/zinc/33/18/92/1068331892.db2.gz IAKVXXKQXHSRAJ-CABCVRRESA-N 1 0 426.481 -1.747 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157303506 1068332073 /nfs/dbraw/zinc/33/20/73/1068332073.db2.gz IAKVXXKQXHSRAJ-GJZGRUSLSA-N 1 0 426.481 -1.747 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157303634 1068331851 /nfs/dbraw/zinc/33/18/51/1068331851.db2.gz LBQWZCPDLWAZFK-HOTGVXAUSA-N 1 0 441.492 -1.357 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001157303742 1068332221 /nfs/dbraw/zinc/33/22/21/1068332221.db2.gz MSBIVYVWEGWQOC-CVEARBPZSA-N 1 0 425.493 -1.142 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001157303743 1068331912 /nfs/dbraw/zinc/33/19/12/1068331912.db2.gz MSBIVYVWEGWQOC-HOTGVXAUSA-N 1 0 425.493 -1.142 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157309827 1068331957 /nfs/dbraw/zinc/33/19/57/1068331957.db2.gz LPJSRPCNMMINQM-BPUTZDHNSA-N 1 0 446.508 -2.230 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(N)=O ZINC001157323931 1068332279 /nfs/dbraw/zinc/33/22/79/1068332279.db2.gz AMLVFNXBANTHHY-RYRKJORJSA-N 1 0 433.509 -1.005 20 0 IAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001157364433 1068332092 /nfs/dbraw/zinc/33/20/92/1068332092.db2.gz BJMFNICTVPWHTM-IBGZPJMESA-N 1 0 441.444 -1.250 20 0 IAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001157364434 1068332117 /nfs/dbraw/zinc/33/21/17/1068332117.db2.gz BJMFNICTVPWHTM-LJQANCHMSA-N 1 0 441.444 -1.250 20 0 IAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)/C=C/C(=O)NCC[NH3+])ccc12 ZINC001157364716 1068332194 /nfs/dbraw/zinc/33/21/94/1068332194.db2.gz GHASRTARDZUGCG-SNAWJCMRSA-N 1 0 429.433 -1.097 20 0 IAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001157365434 1068333093 /nfs/dbraw/zinc/33/30/93/1068333093.db2.gz ZFSMMUYNFHHYKR-HNNXBMFYSA-N 1 0 443.460 -1.397 20 0 IAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001157365435 1068332732 /nfs/dbraw/zinc/33/27/32/1068332732.db2.gz ZFSMMUYNFHHYKR-OAHLLOKOSA-N 1 0 443.460 -1.397 20 0 IAADRO NS(=O)(=O)c1ccc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nn1 ZINC001157401710 1068333044 /nfs/dbraw/zinc/33/30/44/1068333044.db2.gz LWUFSWXCQCGBKR-STQMWFEESA-N 1 0 445.496 -1.156 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421681 1068332901 /nfs/dbraw/zinc/33/29/01/1068332901.db2.gz AJWFOOYVNBTQQR-GEDQJEELSA-N 1 0 426.466 -1.202 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421832 1068332961 /nfs/dbraw/zinc/33/29/61/1068332961.db2.gz BHONEWKOVPJSPM-AHBSSGKESA-N 1 0 435.521 -1.332 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421836 1068332929 /nfs/dbraw/zinc/33/29/29/1068332929.db2.gz BHONEWKOVPJSPM-ANPILNASSA-N 1 0 435.521 -1.332 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421859 1068332494 /nfs/dbraw/zinc/33/24/94/1068332494.db2.gz BMZHTACPEDOMOW-NKISHHHSSA-N 1 0 434.493 -1.239 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1nccn1C)C(=O)CF ZINC001157421895 1068332641 /nfs/dbraw/zinc/33/26/41/1068332641.db2.gz JCYFXLGGSGBJJX-DCGLDWPTSA-N 1 0 426.493 -1.020 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422482 1068332840 /nfs/dbraw/zinc/33/28/40/1068332840.db2.gz GYRZCIQYGOKBEP-HBMVKAIRSA-N 1 0 447.529 -1.920 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C(=O)N3CCC([NH3+])CC3)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423249 1068332822 /nfs/dbraw/zinc/33/28/22/1068332822.db2.gz MERYBOIUGGLFIQ-AAZRCEHGSA-N 1 0 437.493 -1.176 20 0 IAADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3ccc(N4CC[NH2+]CC4)n3c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423689 1068332703 /nfs/dbraw/zinc/33/27/03/1068332703.db2.gz NWMJFSNRFKDISW-CBUQMUQRSA-N 1 0 434.493 -1.077 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157434117 1068333004 /nfs/dbraw/zinc/33/30/04/1068333004.db2.gz ONDQLFYHMJRPSR-IUCAKERBSA-N 1 0 442.261 -1.339 20 0 IAADRO CNC(=O)C1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001157496240 1068333064 /nfs/dbraw/zinc/33/30/64/1068333064.db2.gz SVRZYIDWJROGHU-JDFRZJQESA-N 1 0 443.520 -1.128 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496466 1068332602 /nfs/dbraw/zinc/33/26/02/1068332602.db2.gz GAPSBTHRYUYZDN-BZSNNMDCSA-N 1 0 434.493 -1.411 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496467 1068333116 /nfs/dbraw/zinc/33/31/16/1068333116.db2.gz GAPSBTHRYUYZDN-OKZBNKHCSA-N 1 0 434.493 -1.411 20 0 IAADRO COC(=O)N1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001157506955 1068332551 /nfs/dbraw/zinc/33/25/51/1068332551.db2.gz BXQHXZVNVXPBDL-XEZPLFJOSA-N 1 0 445.492 -1.202 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCn2cnnc2C1)C(=O)CF ZINC001157508202 1068333605 /nfs/dbraw/zinc/33/36/05/1068333605.db2.gz PQMIZJLJSLCYLZ-MKBNYLNASA-N 1 0 425.465 -1.478 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157519198 1068333836 /nfs/dbraw/zinc/33/38/36/1068333836.db2.gz JAIAZRXMNNESFO-UHFFFAOYSA-N 1 0 431.453 -2.216 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(N2CC(F)C2)C1)C(=O)CF ZINC001157528502 1068333644 /nfs/dbraw/zinc/33/36/44/1068333644.db2.gz UWBAOVLTUXPSGU-YLVFBTJISA-N 1 0 431.484 -1.248 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001157596781 1068333689 /nfs/dbraw/zinc/33/36/89/1068333689.db2.gz JDTNDEISYIPCCG-NRFANRHFSA-N 1 0 426.477 -1.273 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001157596782 1068333882 /nfs/dbraw/zinc/33/38/82/1068333882.db2.gz JDTNDEISYIPCCG-OAQYLSRUSA-N 1 0 426.477 -1.273 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001157599262 1068333916 /nfs/dbraw/zinc/33/39/16/1068333916.db2.gz WFVCGPHEJJNRJQ-UHFFFAOYSA-N 1 0 426.424 -2.079 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001157609881 1068333486 /nfs/dbraw/zinc/33/34/86/1068333486.db2.gz KPGJSPSBCBUWMA-QPJJXVBHSA-N 1 0 430.509 -1.849 20 0 IAADRO CCOc1ccccc1N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001157615401 1068333268 /nfs/dbraw/zinc/33/32/68/1068333268.db2.gz JXEBMOXQWSOLNW-UHFFFAOYSA-N 1 0 434.497 -1.959 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157627628 1068333537 /nfs/dbraw/zinc/33/35/37/1068333537.db2.gz VVSVIRJHJYZMFC-UHFFFAOYSA-N 1 0 448.480 -2.633 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877669 1068333449 /nfs/dbraw/zinc/33/34/49/1068333449.db2.gz MZZMJRRHGYOTRY-UHFFFAOYSA-N 1 0 426.865 -2.914 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](CO)[C@@H](O)C1)C(=O)CF ZINC001157904139 1068333319 /nfs/dbraw/zinc/33/33/19/1068333319.db2.gz KJSPLXOUWBIBIO-ACMLMGIUSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](CO)[C@H](O)C1)C(=O)CF ZINC001157904140 1068333418 /nfs/dbraw/zinc/33/34/18/1068333418.db2.gz KJSPLXOUWBIBIO-CBAJHEILSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](CO)[C@@H](O)C1)C(=O)CF ZINC001157904141 1068333947 /nfs/dbraw/zinc/33/39/47/1068333947.db2.gz KJSPLXOUWBIBIO-OLFUQESBSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](CO)[C@H](O)C1)C(=O)CF ZINC001157904142 1068333733 /nfs/dbraw/zinc/33/37/33/1068333733.db2.gz KJSPLXOUWBIBIO-WVXQGFRLSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](O)[C@H](CO)C1)C(=O)CF ZINC001157933613 1068334140 /nfs/dbraw/zinc/33/41/40/1068334140.db2.gz BRZJWGZOZJODAK-CGEFAEBTSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](O)[C@H](CO)C1)C(=O)CF ZINC001157933615 1068334405 /nfs/dbraw/zinc/33/44/05/1068334405.db2.gz BRZJWGZOZJODAK-DEEHTKSCSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](O)[C@@H](CO)C1)C(=O)CF ZINC001157933617 1068334369 /nfs/dbraw/zinc/33/43/69/1068334369.db2.gz BRZJWGZOZJODAK-TVRNETQVSA-N 1 0 432.493 -1.910 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](O)[C@@H](CO)C1)C(=O)CF ZINC001157933620 1068334626 /nfs/dbraw/zinc/33/46/26/1068334626.db2.gz BRZJWGZOZJODAK-WLZFUECHSA-N 1 0 432.493 -1.910 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157936157 1068334339 /nfs/dbraw/zinc/33/43/39/1068334339.db2.gz YDWVVYHXJZZYBR-LKFCYVNXSA-N 1 0 429.371 -2.452 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157936158 1068334583 /nfs/dbraw/zinc/33/45/83/1068334583.db2.gz YDWVVYHXJZZYBR-OTYXRUKQSA-N 1 0 429.371 -2.452 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157936159 1068334206 /nfs/dbraw/zinc/33/42/06/1068334206.db2.gz YDWVVYHXJZZYBR-XPTSAGLGSA-N 1 0 429.371 -2.452 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157936160 1068334520 /nfs/dbraw/zinc/33/45/20/1068334520.db2.gz YDWVVYHXJZZYBR-YMTOWFKASA-N 1 0 429.371 -2.452 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCNCC(F)(F)C1)C(=O)CF ZINC001157942859 1068334237 /nfs/dbraw/zinc/33/42/37/1068334237.db2.gz ANXGXDIBGRQYIX-HUBLWGQQSA-N 1 0 437.463 -1.045 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](O)[C@](C)(CO)C1)C(=O)CF ZINC001157946454 1068334691 /nfs/dbraw/zinc/33/46/91/1068334691.db2.gz NFBUSWBNLMBOLJ-APMGSMSJSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](O)[C@@](C)(CO)C1)C(=O)CF ZINC001157946455 1068334306 /nfs/dbraw/zinc/33/43/06/1068334306.db2.gz NFBUSWBNLMBOLJ-HQSJTRQHSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](O)[C@](C)(CO)C1)C(=O)CF ZINC001157946456 1068334172 /nfs/dbraw/zinc/33/41/72/1068334172.db2.gz NFBUSWBNLMBOLJ-LVDJUBCNSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](O)[C@@](C)(CO)C1)C(=O)CF ZINC001157946457 1068334549 /nfs/dbraw/zinc/33/45/49/1068334549.db2.gz NFBUSWBNLMBOLJ-QBLXOXQZSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@](C)(CO)[C@@H](O)C1)C(=O)CF ZINC001157947984 1068334660 /nfs/dbraw/zinc/33/46/60/1068334660.db2.gz YOVHFGDQGNABRX-APMGSMSJSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@](C)(CO)[C@@H](O)C1)C(=O)CF ZINC001157947987 1068334458 /nfs/dbraw/zinc/33/44/58/1068334458.db2.gz YOVHFGDQGNABRX-HQSJTRQHSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@](C)(CO)[C@H](O)C1)C(=O)CF ZINC001157947988 1068334992 /nfs/dbraw/zinc/33/49/92/1068334992.db2.gz YOVHFGDQGNABRX-LVDJUBCNSA-N 1 0 446.520 -1.520 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@](C)(CO)[C@H](O)C1)C(=O)CF ZINC001157947990 1068335417 /nfs/dbraw/zinc/33/54/17/1068335417.db2.gz YOVHFGDQGNABRX-QBLXOXQZSA-N 1 0 446.520 -1.520 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157983182 1068335376 /nfs/dbraw/zinc/33/53/76/1068335376.db2.gz XXUQQENYFRGESU-KBPBESRZSA-N 1 0 432.399 -1.028 20 0 IAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158007773 1068335337 /nfs/dbraw/zinc/33/53/37/1068335337.db2.gz VSFSQXFLGACIGN-HRCADAONSA-N 1 0 425.530 -1.251 20 0 IAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158007774 1068335299 /nfs/dbraw/zinc/33/52/99/1068335299.db2.gz VSFSQXFLGACIGN-JYJNAYRXSA-N 1 0 425.530 -1.251 20 0 IAADRO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001158014522 1068335250 /nfs/dbraw/zinc/33/52/50/1068335250.db2.gz MTLBUFNDIVNFAR-YTORKDELSA-N 1 0 448.467 -1.000 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C[C@@H](O)CO)C(C)(C)C)C(=O)CF ZINC001158015658 1068335151 /nfs/dbraw/zinc/33/51/51/1068335151.db2.gz USHCBDNLYXKOAE-LOUJCGABSA-N 1 0 448.536 -1.132 20 0 IAADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)Cn1ccnc12 ZINC001158092158 1068334874 /nfs/dbraw/zinc/33/48/74/1068334874.db2.gz LGVSZZJYSJUAON-FOIQADDNSA-N 1 0 445.524 -1.055 20 0 IAADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N1CC(=O)NC[C@]13CC[NH2+]C3)Cn1ccnc12 ZINC001158092159 1068335135 /nfs/dbraw/zinc/33/51/35/1068335135.db2.gz LGVSZZJYSJUAON-MGPUTAFESA-N 1 0 445.524 -1.055 20 0 IAADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)Cn1ccnc12 ZINC001158092160 1068334891 /nfs/dbraw/zinc/33/48/91/1068334891.db2.gz LGVSZZJYSJUAON-QRWLVFNGSA-N 1 0 445.524 -1.055 20 0 IAADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N1CC(=O)NC[C@@]13CC[NH2+]C3)Cn1ccnc12 ZINC001158092161 1068335205 /nfs/dbraw/zinc/33/52/05/1068335205.db2.gz LGVSZZJYSJUAON-YWZLYKJASA-N 1 0 445.524 -1.055 20 0 IAADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001158093880 1068334914 /nfs/dbraw/zinc/33/49/14/1068334914.db2.gz XXYDLFFEVOXESQ-XLIONFOSSA-N 1 0 446.533 -1.011 20 0 IAADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)c2)cc1 ZINC001158093881 1068335103 /nfs/dbraw/zinc/33/51/03/1068335103.db2.gz XXYDLFFEVOXESQ-YLJYHZDGSA-N 1 0 446.533 -1.011 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102197 1068335026 /nfs/dbraw/zinc/33/50/26/1068335026.db2.gz OXBCRIBICYMXSL-CKJXQJPGSA-N 1 0 448.524 -2.205 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102198 1068335188 /nfs/dbraw/zinc/33/51/88/1068335188.db2.gz OXBCRIBICYMXSL-QYWGDWMGSA-N 1 0 448.524 -2.205 20 0 IAADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC(=O)NC[C@]45CC[NH2+]C5)cn32)C1 ZINC001158112079 1068334853 /nfs/dbraw/zinc/33/48/53/1068334853.db2.gz UPOXIPBYJNHLJW-BFUOFWGJSA-N 1 0 447.521 -1.218 20 0 IAADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC(=O)NC[C@@]45CC[NH2+]C5)cn32)C1 ZINC001158112080 1068335662 /nfs/dbraw/zinc/33/56/62/1068335662.db2.gz UPOXIPBYJNHLJW-DJJJIMSYSA-N 1 0 447.521 -1.218 20 0 IAADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC(=O)NC[C@]45CC[NH2+]C5)cn32)C1 ZINC001158112081 1068335864 /nfs/dbraw/zinc/33/58/64/1068335864.db2.gz UPOXIPBYJNHLJW-ORAYPTAESA-N 1 0 447.521 -1.218 20 0 IAADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC(=O)NC[C@@]45CC[NH2+]C5)cn32)C1 ZINC001158112082 1068335745 /nfs/dbraw/zinc/33/57/45/1068335745.db2.gz UPOXIPBYJNHLJW-YJYMSZOUSA-N 1 0 447.521 -1.218 20 0 IAADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001158120692 1068335728 /nfs/dbraw/zinc/33/57/28/1068335728.db2.gz SNBNFHOBYAPZNI-HKARXFIJSA-N 1 0 439.516 -1.069 20 0 IAADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001158120699 1068335583 /nfs/dbraw/zinc/33/55/83/1068335583.db2.gz SNBNFHOBYAPZNI-QQMNAOGKSA-N 1 0 439.516 -1.069 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121449 1068335786 /nfs/dbraw/zinc/33/57/86/1068335786.db2.gz UJCQMEZNICYZMW-CCKXHYTFSA-N 1 0 436.513 -2.542 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121450 1068335847 /nfs/dbraw/zinc/33/58/47/1068335847.db2.gz UJCQMEZNICYZMW-DHSUFXDVSA-N 1 0 436.513 -2.542 20 0 IAADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(C)C ZINC001158121661 1068335922 /nfs/dbraw/zinc/33/59/22/1068335922.db2.gz VTDMLYOSPATFIB-AUSJPIAWSA-N 1 0 439.582 -1.067 20 0 IAADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(C)C ZINC001158121664 1068335604 /nfs/dbraw/zinc/33/56/04/1068335604.db2.gz VTDMLYOSPATFIB-AVYPCKFXSA-N 1 0 439.582 -1.067 20 0 IAADRO O=C(C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001158130308 1068335624 /nfs/dbraw/zinc/33/56/24/1068335624.db2.gz DDTMZHLOPOZWTA-CADBVGFASA-N 1 0 436.505 -1.040 20 0 IAADRO O=C(C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001158130313 1068335758 /nfs/dbraw/zinc/33/57/58/1068335758.db2.gz DDTMZHLOPOZWTA-INDMIFKZSA-N 1 0 436.505 -1.040 20 0 IAADRO O=C(C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001158130315 1068335560 /nfs/dbraw/zinc/33/55/60/1068335560.db2.gz DDTMZHLOPOZWTA-WJFTUGDTSA-N 1 0 436.505 -1.040 20 0 IAADRO O=C(C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001158130317 1068335830 /nfs/dbraw/zinc/33/58/30/1068335830.db2.gz DDTMZHLOPOZWTA-ZSYWTGECSA-N 1 0 436.505 -1.040 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179132 1068335885 /nfs/dbraw/zinc/33/58/85/1068335885.db2.gz IYUKSLDSUACXGR-VSZNYVQBSA-N 1 0 435.525 -1.449 20 0 IAADRO CCOC(=O)c1cc2n(n1)CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158189958 1068335698 /nfs/dbraw/zinc/33/56/98/1068335698.db2.gz ABUVPBUELGXCMP-UHFFFAOYSA-N 1 0 437.457 -2.901 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277688 1068336100 /nfs/dbraw/zinc/33/61/00/1068336100.db2.gz SAMNXUBBUYQAQH-IHRRRGAJSA-N 1 0 448.528 -1.767 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001158325459 1068336400 /nfs/dbraw/zinc/33/64/00/1068336400.db2.gz ABYXSJAVHPWREO-UHFFFAOYSA-N 1 0 447.467 -1.420 20 0 IAADRO [NH3+]CCNCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351649 1068336450 /nfs/dbraw/zinc/33/64/50/1068336450.db2.gz BHDRSZMOWLVUNO-UWJYYQICSA-N 1 0 431.541 -1.071 20 0 IAADRO O=C([C@H]1C[NH2+]C[C@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351693 1068336146 /nfs/dbraw/zinc/33/61/46/1068336146.db2.gz CAQAAPPHEJXZPB-AYMMHLMVSA-N 1 0 444.536 -1.039 20 0 IAADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351694 1068336244 /nfs/dbraw/zinc/33/62/44/1068336244.db2.gz CAQAAPPHEJXZPB-FBAVSBLXSA-N 1 0 444.536 -1.039 20 0 IAADRO O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351695 1068336467 /nfs/dbraw/zinc/33/64/67/1068336467.db2.gz CAQAAPPHEJXZPB-ORGXJRBJSA-N 1 0 444.536 -1.039 20 0 IAADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351696 1068336295 /nfs/dbraw/zinc/33/62/95/1068336295.db2.gz CAQAAPPHEJXZPB-SUWCGCSTSA-N 1 0 444.536 -1.039 20 0 IAADRO C[NH2+][C@@H](CO)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352066 1068336030 /nfs/dbraw/zinc/33/60/30/1068336030.db2.gz JAYZIBFYCGDCRD-FIKGOQFSSA-N 1 0 432.525 -1.039 20 0 IAADRO O=C([C@@H]1C[NH2+]CCN1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352112 1068336262 /nfs/dbraw/zinc/33/62/62/1068336262.db2.gz KOGSIGBOBHYDBH-SPEDKVCISA-N 1 0 443.552 -1.058 20 0 IAADRO O=C([C@H]1C[NH2+]CCN1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352113 1068336484 /nfs/dbraw/zinc/33/64/84/1068336484.db2.gz KOGSIGBOBHYDBH-SVMVAKDDSA-N 1 0 443.552 -1.058 20 0 IAADRO [NH3+]CC(=O)NCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352250 1068336062 /nfs/dbraw/zinc/33/60/62/1068336062.db2.gz LZEJWVUCVDVDJH-KKSFZXQISA-N 1 0 445.524 -1.545 20 0 IAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352449 1068336359 /nfs/dbraw/zinc/33/63/59/1068336359.db2.gz PROKEGXYRHEGHJ-ORGXJRBJSA-N 1 0 443.552 -1.073 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)CC1)C(=O)CF ZINC001158368168 1068336206 /nfs/dbraw/zinc/33/62/06/1068336206.db2.gz GNPCBWZTNCFUFM-HUBLWGQQSA-N 1 0 436.506 -1.855 20 0 IAADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)c1ncn3c1nnn(C)c3=O)C2 ZINC001158406300 1068336839 /nfs/dbraw/zinc/33/68/39/1068336839.db2.gz SIIYADFCUSLUJY-CABCVRRESA-N 1 0 429.359 -1.020 20 0 IAADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)c1ncn3c1nnn(C)c3=O)C2 ZINC001158406305 1068337002 /nfs/dbraw/zinc/33/70/02/1068337002.db2.gz SIIYADFCUSLUJY-GJZGRUSLSA-N 1 0 429.359 -1.020 20 0 IAADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)c1ncn3c1nnn(C)c3=O)C2 ZINC001158406308 1068336904 /nfs/dbraw/zinc/33/69/04/1068336904.db2.gz SIIYADFCUSLUJY-HUUCEWRRSA-N 1 0 429.359 -1.020 20 0 IAADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)c1ncn3c1nnn(C)c3=O)C2 ZINC001158406310 1068336695 /nfs/dbraw/zinc/33/66/95/1068336695.db2.gz SIIYADFCUSLUJY-LSDHHAIUSA-N 1 0 429.359 -1.020 20 0 IAADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158415555 1068337068 /nfs/dbraw/zinc/33/70/68/1068337068.db2.gz MHQDRVLYVNCFDI-KZULUSFZSA-N 1 0 427.458 -3.136 20 0 IAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001158432274 1068336948 /nfs/dbraw/zinc/33/69/48/1068336948.db2.gz USRLVXKDGPEDQW-GJZGRUSLSA-N 1 0 446.464 -1.450 20 0 IAADRO CS(=O)(=O)c1nc2c(c(NCCN3CCN(S(C)(=O)=O)CC3)n1)CC[NH2+]CC2 ZINC001158451431 1068336821 /nfs/dbraw/zinc/33/68/21/1068336821.db2.gz KTIWKCHZCXADEM-UHFFFAOYSA-N 1 0 432.572 -1.443 20 0 IAADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001158468934 1068336671 /nfs/dbraw/zinc/33/66/71/1068336671.db2.gz UXXHMCNIMUFGLF-AHGCTEEOSA-N 1 0 428.482 -2.198 20 0 IAADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001158468935 1068336986 /nfs/dbraw/zinc/33/69/86/1068336986.db2.gz UXXHMCNIMUFGLF-AUQLDDPISA-N 1 0 428.482 -2.198 20 0 IAADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001158468936 1068337111 /nfs/dbraw/zinc/33/71/11/1068337111.db2.gz UXXHMCNIMUFGLF-HOJQFNHUSA-N 1 0 428.482 -2.198 20 0 IAADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001158468937 1068336802 /nfs/dbraw/zinc/33/68/02/1068336802.db2.gz UXXHMCNIMUFGLF-SGQRUEDASA-N 1 0 428.482 -2.198 20 0 IAADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)C2 ZINC001158480648 1068336923 /nfs/dbraw/zinc/33/69/23/1068336923.db2.gz YBDUATAROPJKDS-CKJXQJPGSA-N 1 0 438.525 -1.229 20 0 IAADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001158498371 1068336746 /nfs/dbraw/zinc/33/67/46/1068336746.db2.gz OZNKCOUDGDAWLO-CCRZTJIVSA-N 1 0 439.513 -1.728 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567860 1068337607 /nfs/dbraw/zinc/33/76/07/1068337607.db2.gz LEKBETWUUABONS-MSOLQXFVSA-N 1 0 444.536 -1.583 20 0 IAADRO CCOC(=O)CCN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158583629 1068337572 /nfs/dbraw/zinc/33/75/72/1068337572.db2.gz UHQJBPSTILTMII-UHFFFAOYSA-N 1 0 435.481 -1.724 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001158601734 1068337429 /nfs/dbraw/zinc/33/74/29/1068337429.db2.gz RSVSXSCIGHFBMG-UHFFFAOYSA-N 1 0 445.480 -1.787 20 0 IAADRO COCCN1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001158604187 1068337224 /nfs/dbraw/zinc/33/72/24/1068337224.db2.gz KONOTOAWAVITRN-MPGHIAIKSA-N 1 0 445.536 -1.322 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630291 1068337258 /nfs/dbraw/zinc/33/72/58/1068337258.db2.gz OEAOCZPYKZJMSW-KBPBESRZSA-N 1 0 437.501 -2.026 20 0 IAADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CCC2)N1CCCC1 ZINC001158630493 1068337499 /nfs/dbraw/zinc/33/74/99/1068337499.db2.gz RHPCBELQUJSLFG-INIZCTEOSA-N 1 0 433.513 -1.520 20 0 IAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CCC2)N1CCCC1 ZINC001158630494 1068337463 /nfs/dbraw/zinc/33/74/63/1068337463.db2.gz RHPCBELQUJSLFG-MRXNPFEDSA-N 1 0 433.513 -1.520 20 0 IAADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630690 1068337393 /nfs/dbraw/zinc/33/73/93/1068337393.db2.gz VTEWWDJPXBFJLS-AWEZNQCLSA-N 1 0 436.517 -1.075 20 0 IAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630691 1068337668 /nfs/dbraw/zinc/33/76/68/1068337668.db2.gz VTEWWDJPXBFJLS-CQSZACIVSA-N 1 0 436.517 -1.075 20 0 IAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158630891 1068337207 /nfs/dbraw/zinc/33/72/07/1068337207.db2.gz ZIRCAZKNJHARLF-GOSISDBHSA-N 1 0 431.497 -1.373 20 0 IAADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158630892 1068337373 /nfs/dbraw/zinc/33/73/73/1068337373.db2.gz ZIRCAZKNJHARLF-SFHVURJKSA-N 1 0 431.497 -1.373 20 0 IAADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)nn1 ZINC001158657822 1068338207 /nfs/dbraw/zinc/33/82/07/1068338207.db2.gz GPPZVWZUZPTUKG-KSVNGYGVSA-N 1 0 436.513 -1.345 20 0 IAADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)nn1 ZINC001158657825 1068338035 /nfs/dbraw/zinc/33/80/35/1068338035.db2.gz GPPZVWZUZPTUKG-QOIOWGMHSA-N 1 0 436.513 -1.345 20 0 IAADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)nn1 ZINC001158657828 1068338176 /nfs/dbraw/zinc/33/81/76/1068338176.db2.gz GPPZVWZUZPTUKG-ULMVMLMRSA-N 1 0 436.513 -1.345 20 0 IAADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)nn1 ZINC001158657830 1068337922 /nfs/dbraw/zinc/33/79/22/1068337922.db2.gz GPPZVWZUZPTUKG-ZKNHNOBHSA-N 1 0 436.513 -1.345 20 0 IAADRO O=C(C[C@@H]1COCC[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680289 1068337900 /nfs/dbraw/zinc/33/79/00/1068337900.db2.gz BWAXRKNVZNXDJH-OWCLPIDISA-N 1 0 437.522 -1.086 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158680333 1068338245 /nfs/dbraw/zinc/33/82/45/1068338245.db2.gz DUCLQSIXEWTTJV-ASKKUZCQSA-N 1 0 448.549 -1.513 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158680335 1068337956 /nfs/dbraw/zinc/33/79/56/1068337956.db2.gz DUCLQSIXEWTTJV-MFCZKXCZSA-N 1 0 448.549 -1.513 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158680338 1068338006 /nfs/dbraw/zinc/33/80/06/1068338006.db2.gz DUCLQSIXEWTTJV-UIVXKWKOSA-N 1 0 448.549 -1.513 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158680341 1068337875 /nfs/dbraw/zinc/33/78/75/1068337875.db2.gz DUCLQSIXEWTTJV-ZFCANOHDSA-N 1 0 448.549 -1.513 20 0 IAADRO O=C([C@@H]1C[NH2+]CCCO1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680347 1068338063 /nfs/dbraw/zinc/33/80/63/1068338063.db2.gz DUZNOHDNEGJDAG-HRCADAONSA-N 1 0 437.522 -1.086 20 0 IAADRO C[NH2+][C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@H](C)O ZINC001158680830 1068338082 /nfs/dbraw/zinc/33/80/82/1068338082.db2.gz HLYHSLJQUZJVHF-BEAPCOKYSA-N 1 0 425.511 -1.495 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001158680844 1068338333 /nfs/dbraw/zinc/33/83/33/1068338333.db2.gz HRPXIMBRPOBCNG-NXEZDXNNSA-N 1 0 435.506 -1.333 20 0 IAADRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680848 1068338879 /nfs/dbraw/zinc/33/88/79/1068338879.db2.gz HYULRADYXBVXSW-ARFHVFGLSA-N 1 0 447.521 -1.171 20 0 IAADRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680849 1068338563 /nfs/dbraw/zinc/33/85/63/1068338563.db2.gz HYULRADYXBVXSW-HRCADAONSA-N 1 0 447.521 -1.171 20 0 IAADRO [NH3+][C@@H](Cn1cccn1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681110 1068338828 /nfs/dbraw/zinc/33/88/28/1068338828.db2.gz JYXMKUKABSIQSP-HRCADAONSA-N 1 0 447.521 -1.240 20 0 IAADRO CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681410 1068338666 /nfs/dbraw/zinc/33/86/66/1068338666.db2.gz NQFPHNBRCJNIHZ-GZBFAFLISA-N 1 0 425.511 -1.366 20 0 IAADRO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681486 1068338864 /nfs/dbraw/zinc/33/88/64/1068338864.db2.gz OBGINBHBUKNTDB-DRRXZNNHSA-N 1 0 449.533 -1.230 20 0 IAADRO O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681519 1068338619 /nfs/dbraw/zinc/33/86/19/1068338619.db2.gz OLFHMGCLEYBDAQ-BYNSBNAKSA-N 1 0 448.505 -1.490 20 0 IAADRO N[C@@]1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CCC[NH2+]C1 ZINC001158681967 1068339022 /nfs/dbraw/zinc/33/90/22/1068339022.db2.gz QZPIVSZCBAGZOI-KHYOSLBOSA-N 1 0 436.538 -1.383 20 0 IAADRO N[C@]1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CCC[NH2+]C1 ZINC001158681972 1068338810 /nfs/dbraw/zinc/33/88/10/1068338810.db2.gz QZPIVSZCBAGZOI-QMTMVMCOSA-N 1 0 436.538 -1.383 20 0 IAADRO O=C([C@H]1C[NH2+]CC[C@H]1O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682091 1068338642 /nfs/dbraw/zinc/33/86/42/1068338642.db2.gz RVLGMCWXVZWIAM-CAOSSQGBSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@@H]1C[NH2+]CC[C@@H]1O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682097 1068338956 /nfs/dbraw/zinc/33/89/56/1068338956.db2.gz RVLGMCWXVZWIAM-FXUDXRNXSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@@H]1C[NH2+]CC[C@H]1O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682100 1068339064 /nfs/dbraw/zinc/33/90/64/1068339064.db2.gz RVLGMCWXVZWIAM-QKPAOTATSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@H]1C[NH2+]CC[C@@H]1O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682103 1068338975 /nfs/dbraw/zinc/33/89/75/1068338975.db2.gz RVLGMCWXVZWIAM-YHUYYLMFSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682940 1068338780 /nfs/dbraw/zinc/33/87/80/1068338780.db2.gz VDPBHKPLRZPFHY-HRCADAONSA-N 1 0 437.522 -1.086 20 0 IAADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158683712 1068338990 /nfs/dbraw/zinc/33/89/90/1068338990.db2.gz XKWYXGDWCZKOOI-MFCZKXCZSA-N 1 0 449.533 -1.228 20 0 IAADRO O=C([C@H]1C[NH2+]C[C@H](O)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683717 1068338546 /nfs/dbraw/zinc/33/85/46/1068338546.db2.gz XOCSFYYPWDEDCA-DMRZNYOFSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@@H]1C[NH2+]C[C@H](O)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683718 1068339004 /nfs/dbraw/zinc/33/90/04/1068339004.db2.gz XOCSFYYPWDEDCA-DRPJVOAASA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@@H]1C[NH2+]C[C@@H](O)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683719 1068339338 /nfs/dbraw/zinc/33/93/38/1068339338.db2.gz XOCSFYYPWDEDCA-QCEMKRCNSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@H]1C[NH2+]C[C@@H](O)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683720 1068339529 /nfs/dbraw/zinc/33/95/29/1068339529.db2.gz XOCSFYYPWDEDCA-SYAUCNOPSA-N 1 0 437.522 -1.494 20 0 IAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683779 1068339392 /nfs/dbraw/zinc/33/93/92/1068339392.db2.gz ZNOUZKAFSQQNAZ-ZZTPXLKCSA-N 1 0 448.549 -1.514 20 0 IAADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683790 1068339408 /nfs/dbraw/zinc/33/94/08/1068339408.db2.gz ZZOPDGUQZRLNJV-JKSUJKDBSA-N 1 0 436.538 -1.559 20 0 IAADRO O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692133 1068339357 /nfs/dbraw/zinc/33/93/57/1068339357.db2.gz BWAXRKNVZNXDJH-HRCADAONSA-N 1 0 437.522 -1.086 20 0 IAADRO CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692815 1068339245 /nfs/dbraw/zinc/33/92/45/1068339245.db2.gz IPBFDXAWVAVDSY-ARFHVFGLSA-N 1 0 436.538 -1.560 20 0 IAADRO CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692817 1068339788 /nfs/dbraw/zinc/33/97/88/1068339788.db2.gz IPBFDXAWVAVDSY-HRCADAONSA-N 1 0 436.538 -1.560 20 0 IAADRO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]3O2)n1 ZINC001158693951 1068339653 /nfs/dbraw/zinc/33/96/53/1068339653.db2.gz PXNJUFXOAJGOCV-RWMBFGLXSA-N 1 0 437.457 -2.636 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158736805 1068339549 /nfs/dbraw/zinc/33/95/49/1068339549.db2.gz KAQUQZRUMJPYJE-JSGCOSHPSA-N 1 0 430.469 -1.308 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747432 1068339683 /nfs/dbraw/zinc/33/96/83/1068339683.db2.gz AUCPTIFGAABMLS-QRTUWBSPSA-N 1 0 425.486 -2.031 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1)C(N)=O ZINC001158747983 1068339286 /nfs/dbraw/zinc/33/92/86/1068339286.db2.gz ODVWIOGLYKVHGS-WCQYABFASA-N 1 0 438.485 -1.738 20 0 IAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001158748090 1068339755 /nfs/dbraw/zinc/33/97/55/1068339755.db2.gz VFSPRIFCYMQFMN-CYBMUJFWSA-N 1 0 426.495 -1.059 20 0 IAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001158748091 1068339500 /nfs/dbraw/zinc/33/95/00/1068339500.db2.gz VFSPRIFCYMQFMN-ZDUSSCGKSA-N 1 0 426.495 -1.059 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1)C(N)=O ZINC001158748157 1068340297 /nfs/dbraw/zinc/34/02/97/1068340297.db2.gz QBTQFWPGLDULPQ-CQJMVSDSSA-N 1 0 439.513 -1.641 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759971 1068340360 /nfs/dbraw/zinc/34/03/60/1068340360.db2.gz VOILCSMLJZIXGM-UHFFFAOYSA-N 1 0 446.512 -2.255 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)C(=O)CF ZINC001158804393 1068340501 /nfs/dbraw/zinc/34/05/01/1068340501.db2.gz PBQXMPYAVSDAPY-FEZYCPBGSA-N 1 0 443.520 -1.571 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158814142 1068340481 /nfs/dbraw/zinc/34/04/81/1068340481.db2.gz MPIMPQRWMDXGBU-GVDBMIGSSA-N 1 0 439.538 -1.218 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158814144 1068340065 /nfs/dbraw/zinc/34/00/65/1068340065.db2.gz MRZKUEMGOBTSMT-BTYMGIQYSA-N 1 0 446.508 -1.731 20 0 IAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001158814853 1068340026 /nfs/dbraw/zinc/34/00/26/1068340026.db2.gz RHZIDPGWUOUSDJ-BFHYXJOUSA-N 1 0 427.502 -2.003 20 0 IAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001158814859 1068339980 /nfs/dbraw/zinc/33/99/80/1068339980.db2.gz RHZIDPGWUOUSDJ-MELADBBJSA-N 1 0 427.502 -2.003 20 0 IAADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821259 1068340392 /nfs/dbraw/zinc/34/03/92/1068340392.db2.gz GBBMGBWQNXLXMN-HNNXBMFYSA-N 1 0 443.512 -1.220 20 0 IAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821330 1068340464 /nfs/dbraw/zinc/34/04/64/1068340464.db2.gz HXAUMCVWVXSLJK-HNNXBMFYSA-N 1 0 438.554 -1.133 20 0 IAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821331 1068340114 /nfs/dbraw/zinc/34/01/14/1068340114.db2.gz HXAUMCVWVXSLJK-OAHLLOKOSA-N 1 0 438.554 -1.133 20 0 IAADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821344 1068340559 /nfs/dbraw/zinc/34/05/59/1068340559.db2.gz IGEVODFIZIEIPN-HNNXBMFYSA-N 1 0 427.513 -1.005 20 0 IAADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821345 1068340245 /nfs/dbraw/zinc/34/02/45/1068340245.db2.gz IGEVODFIZIEIPN-OAHLLOKOSA-N 1 0 427.513 -1.005 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822771 1068340132 /nfs/dbraw/zinc/34/01/32/1068340132.db2.gz ZTZAYALVDYZVNT-UHFFFAOYSA-N 1 0 432.441 -2.889 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158831339 1068340328 /nfs/dbraw/zinc/34/03/28/1068340328.db2.gz CXGYHWBPRYMGMC-GJZGRUSLSA-N 1 0 448.528 -2.093 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2nnc(COc3ccccn3)n2CC1)C(N)=O ZINC001158870703 1068340990 /nfs/dbraw/zinc/34/09/90/1068340990.db2.gz BGBLPQOQMUWABB-UONOGXRCSA-N 1 0 444.496 -1.266 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158872030 1068341061 /nfs/dbraw/zinc/34/10/61/1068341061.db2.gz XPHKACBGTWUYPI-STQMWFEESA-N 1 0 430.469 -1.656 20 0 IAADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158884549 1068340666 /nfs/dbraw/zinc/34/06/66/1068340666.db2.gz NYTXNBOCUGFLKB-AWEZNQCLSA-N 1 0 442.542 -1.247 20 0 IAADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158884550 1068340685 /nfs/dbraw/zinc/34/06/85/1068340685.db2.gz NYTXNBOCUGFLKB-CQSZACIVSA-N 1 0 442.542 -1.247 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001158891105 1068340872 /nfs/dbraw/zinc/34/08/72/1068340872.db2.gz SUWVYPPAMIWTDH-GUTXKFCHSA-N 1 0 449.512 -1.760 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001158891106 1068341187 /nfs/dbraw/zinc/34/11/87/1068341187.db2.gz SUWVYPPAMIWTDH-YDHLFZDLSA-N 1 0 449.512 -1.760 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158899563 1068340835 /nfs/dbraw/zinc/34/08/35/1068340835.db2.gz WKBBXJMSNOVHNU-FHXAZYNBSA-N 1 0 432.481 -1.267 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158934069 1068341171 /nfs/dbraw/zinc/34/11/71/1068341171.db2.gz DLRUWOKHALUWLT-BMFZPTHFSA-N 1 0 434.534 -1.112 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934654 1068341360 /nfs/dbraw/zinc/34/13/60/1068341360.db2.gz JLNCYZDJLYTQIC-HUUCEWRRSA-N 1 0 445.480 -2.909 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934655 1068340802 /nfs/dbraw/zinc/34/08/02/1068340802.db2.gz JLNCYZDJLYTQIC-LSDHHAIUSA-N 1 0 445.480 -2.909 20 0 IAADRO CC(C)Oc1ncnc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001158959451 1068341664 /nfs/dbraw/zinc/34/16/64/1068341664.db2.gz PYPFGDAMIHQWGP-UHFFFAOYSA-N 1 0 435.485 -2.502 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967518 1068342033 /nfs/dbraw/zinc/34/20/33/1068342033.db2.gz AZUDHSGRXYXMJP-JONQDZQNSA-N 1 0 431.497 -1.653 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968562 1068341821 /nfs/dbraw/zinc/34/18/21/1068341821.db2.gz SNQPDRWHLLAJAS-OLZOCXBDSA-N 1 0 434.457 -3.800 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001158982469 1068342316 /nfs/dbraw/zinc/34/23/16/1068342316.db2.gz HJRLCJIQHHOTSH-XWJBARJFSA-N 1 0 433.509 -1.429 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001158990179 1068342562 /nfs/dbraw/zinc/34/25/62/1068342562.db2.gz AEGBSQUVMAQEON-GZBFAFLISA-N 1 0 437.501 -2.298 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001158990180 1068342635 /nfs/dbraw/zinc/34/26/35/1068342635.db2.gz AEGBSQUVMAQEON-KCQAQPDRSA-N 1 0 437.501 -2.298 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001158991502 1068342618 /nfs/dbraw/zinc/34/26/18/1068342618.db2.gz NJGMOONUAPGSMI-GDBMZVCRSA-N 1 0 443.512 -1.458 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001158991504 1068342271 /nfs/dbraw/zinc/34/22/71/1068342271.db2.gz NJGMOONUAPGSMI-GOEBONIOSA-N 1 0 443.512 -1.458 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001158991505 1068342723 /nfs/dbraw/zinc/34/27/23/1068342723.db2.gz NJGMOONUAPGSMI-HOCLYGCPSA-N 1 0 443.512 -1.458 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001158991506 1068342601 /nfs/dbraw/zinc/34/26/01/1068342601.db2.gz NJGMOONUAPGSMI-ZBFHGGJFSA-N 1 0 443.512 -1.458 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C1 ZINC001158991705 1068342426 /nfs/dbraw/zinc/34/24/26/1068342426.db2.gz PIAPPXDDAMYVKE-DZKIICNBSA-N 1 0 436.513 -1.085 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C1 ZINC001158991707 1068342355 /nfs/dbraw/zinc/34/23/55/1068342355.db2.gz PIAPPXDDAMYVKE-LZWOXQAQSA-N 1 0 436.513 -1.085 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001158992230 1068342289 /nfs/dbraw/zinc/34/22/89/1068342289.db2.gz UBNGWDAFRVKOEG-DZGCQCFKSA-N 1 0 425.511 -1.619 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001158992231 1068342692 /nfs/dbraw/zinc/34/26/92/1068342692.db2.gz UBNGWDAFRVKOEG-HIFRSBDPSA-N 1 0 425.511 -1.619 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001158992232 1068342527 /nfs/dbraw/zinc/34/25/27/1068342527.db2.gz UBNGWDAFRVKOEG-UKRRQHHQSA-N 1 0 425.511 -1.619 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001158992233 1068343241 /nfs/dbraw/zinc/34/32/41/1068343241.db2.gz UBNGWDAFRVKOEG-ZFWWWQNUSA-N 1 0 425.511 -1.619 20 0 IAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001158992250 1068343042 /nfs/dbraw/zinc/34/30/42/1068343042.db2.gz UHINTEDLMSNUCO-HOCLYGCPSA-N 1 0 438.529 -1.137 20 0 IAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001158992251 1068343524 /nfs/dbraw/zinc/34/35/24/1068343524.db2.gz UHINTEDLMSNUCO-ZBFHGGJFSA-N 1 0 438.529 -1.137 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nnn(C)c2[C@@H](COCc2cccnc2)C1 ZINC001159048381 1068342876 /nfs/dbraw/zinc/34/28/76/1068342876.db2.gz RAEPRKMLFLXGLH-CFVMTHIKSA-N 1 0 444.496 -1.440 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nnn(C)c2[C@H](COCc2cccnc2)C1 ZINC001159048383 1068343461 /nfs/dbraw/zinc/34/34/61/1068343461.db2.gz RAEPRKMLFLXGLH-QEJZJMRPSA-N 1 0 444.496 -1.440 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001159048385 1068343213 /nfs/dbraw/zinc/34/32/13/1068343213.db2.gz RBDOTYKNZQITRA-JZAWBGDQSA-N 1 0 437.541 -1.217 20 0 IAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]21 ZINC001159048704 1068342949 /nfs/dbraw/zinc/34/29/49/1068342949.db2.gz VMGJPXGUCNFBAJ-MGPQQGTHSA-N 1 0 440.501 -3.365 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071718 1068343561 /nfs/dbraw/zinc/34/35/61/1068343561.db2.gz CDOZWNSGICAWLJ-MCIONIFRSA-N 1 0 426.499 -1.644 20 0 IAADRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]21 ZINC001159071835 1068343362 /nfs/dbraw/zinc/34/33/62/1068343362.db2.gz HXGAMDCNVSQSSE-APIJFGDWSA-N 1 0 435.506 -1.087 20 0 IAADRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]21 ZINC001159071836 1068343490 /nfs/dbraw/zinc/34/34/90/1068343490.db2.gz HXGAMDCNVSQSSE-KBXIAJHMSA-N 1 0 435.506 -1.087 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159073794 1068343126 /nfs/dbraw/zinc/34/31/26/1068343126.db2.gz DZXNENAMPYAKLY-JSGCOSHPSA-N 1 0 448.528 -2.600 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1)C(N)=O ZINC001159074062 1068342912 /nfs/dbraw/zinc/34/29/12/1068342912.db2.gz HZJZCRMHUMOORE-VYDRJRHOSA-N 1 0 447.496 -1.766 20 0 IAADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074747 1068343390 /nfs/dbraw/zinc/34/33/90/1068343390.db2.gz KUTJYVVNPFXLTN-HNNXBMFYSA-N 1 0 437.570 -1.154 20 0 IAADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159075930 1068344316 /nfs/dbraw/zinc/34/43/16/1068344316.db2.gz QLNRHFQDPJEYND-INIZCTEOSA-N 1 0 443.552 -1.192 20 0 IAADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159075935 1068343717 /nfs/dbraw/zinc/34/37/17/1068343717.db2.gz QLNRHFQDPJEYND-MRXNPFEDSA-N 1 0 443.552 -1.192 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159076276 1068344161 /nfs/dbraw/zinc/34/41/61/1068344161.db2.gz SPVUWDQTSQTTLR-ZSLBOAEBSA-N 1 0 433.469 -2.157 20 0 IAADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159076814 1068343680 /nfs/dbraw/zinc/34/36/80/1068343680.db2.gz XKFDCXSWOATYGQ-UHFFFAOYSA-N 1 0 441.558 -2.087 20 0 IAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077257 1068344119 /nfs/dbraw/zinc/34/41/19/1068344119.db2.gz NXSWOEMKJNIABE-LJPSSGMGSA-N 1 0 427.502 -2.051 20 0 IAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077262 1068344228 /nfs/dbraw/zinc/34/42/28/1068344228.db2.gz NXSWOEMKJNIABE-MNUAXYBXSA-N 1 0 427.502 -2.051 20 0 IAADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077264 1068343791 /nfs/dbraw/zinc/34/37/91/1068343791.db2.gz NXSWOEMKJNIABE-SSHHRWTQSA-N 1 0 427.502 -2.051 20 0 IAADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077267 1068344072 /nfs/dbraw/zinc/34/40/72/1068344072.db2.gz NXSWOEMKJNIABE-WFTHSTBKSA-N 1 0 427.502 -2.051 20 0 IAADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077302 1068344388 /nfs/dbraw/zinc/34/43/88/1068344388.db2.gz OLCRWAGSEYHHRJ-CJXDPKRBSA-N 1 0 441.529 -1.661 20 0 IAADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077303 1068343921 /nfs/dbraw/zinc/34/39/21/1068343921.db2.gz OLCRWAGSEYHHRJ-DSEONOSFSA-N 1 0 441.529 -1.661 20 0 IAADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077304 1068343970 /nfs/dbraw/zinc/34/39/70/1068343970.db2.gz OLCRWAGSEYHHRJ-LYKCQVCGSA-N 1 0 441.529 -1.661 20 0 IAADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077305 1068344344 /nfs/dbraw/zinc/34/43/44/1068344344.db2.gz OLCRWAGSEYHHRJ-UJKGCTCZSA-N 1 0 441.529 -1.661 20 0 IAADRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001159084066 1068344284 /nfs/dbraw/zinc/34/42/84/1068344284.db2.gz FSCVBQLXZHSFOY-QWHCGFSZSA-N 1 0 434.457 -3.566 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001159085606 1068343895 /nfs/dbraw/zinc/34/38/95/1068343895.db2.gz VSMLUDLBWNVOMU-QCEMKRCNSA-N 1 0 431.497 -1.419 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159091252 1068343663 /nfs/dbraw/zinc/34/36/63/1068343663.db2.gz MGBOBPJAJRBMNM-HDMKZQKVSA-N 1 0 432.543 -1.396 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159100221 1068343755 /nfs/dbraw/zinc/34/37/55/1068343755.db2.gz STDXDRQRIQORCL-YUYGLALOSA-N 1 0 439.513 -1.909 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103203 1068344032 /nfs/dbraw/zinc/34/40/32/1068344032.db2.gz LYJSZBBLHQNXAM-UHFFFAOYSA-N 1 0 445.484 -3.180 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103604 1068344194 /nfs/dbraw/zinc/34/41/94/1068344194.db2.gz TWOQZCCUJPWIQM-HOTGVXAUSA-N 1 0 442.524 -1.033 20 0 IAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]21 ZINC001159109317 1068344817 /nfs/dbraw/zinc/34/48/17/1068344817.db2.gz QGPAEBWSSXGYCD-FRRDWIJNSA-N 1 0 426.474 -3.707 20 0 IAADRO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]21 ZINC001159109374 1068345058 /nfs/dbraw/zinc/34/50/58/1068345058.db2.gz SRHAGDCHZSFFAW-HVMFNXBNSA-N 1 0 448.520 -1.261 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124940 1068345415 /nfs/dbraw/zinc/34/54/15/1068345415.db2.gz AGTMPXAGONZTGG-BXTJHSDWSA-N 1 0 440.545 -2.229 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124941 1068344886 /nfs/dbraw/zinc/34/48/86/1068344886.db2.gz AGTMPXAGONZTGG-MDOVXXIYSA-N 1 0 440.545 -2.229 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125002 1068345166 /nfs/dbraw/zinc/34/51/66/1068345166.db2.gz BHLRNZHORLKREJ-CKJXQJPGSA-N 1 0 439.557 -1.016 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125003 1068344754 /nfs/dbraw/zinc/34/47/54/1068344754.db2.gz BHLRNZHORLKREJ-QYWGDWMGSA-N 1 0 439.557 -1.016 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1 ZINC001159125068 1068345334 /nfs/dbraw/zinc/34/53/34/1068345334.db2.gz STHIXBKDYIYXKG-CRAIPNDOSA-N 1 0 428.555 -1.550 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1 ZINC001159125069 1068345020 /nfs/dbraw/zinc/34/50/20/1068345020.db2.gz STHIXBKDYIYXKG-MAUKXSAKSA-N 1 0 428.555 -1.550 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1 ZINC001159125070 1068344856 /nfs/dbraw/zinc/34/48/56/1068344856.db2.gz STHIXBKDYIYXKG-QAPCUYQASA-N 1 0 428.555 -1.550 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1 ZINC001159125071 1068345383 /nfs/dbraw/zinc/34/53/83/1068345383.db2.gz STHIXBKDYIYXKG-YJBOKZPZSA-N 1 0 428.555 -1.550 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125160 1068344633 /nfs/dbraw/zinc/34/46/33/1068344633.db2.gz CMQLLPVMWHGPQH-CKFHNAJUSA-N 1 0 426.518 -2.619 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125161 1068345223 /nfs/dbraw/zinc/34/52/23/1068345223.db2.gz CMQLLPVMWHGPQH-NJSLBKSFSA-N 1 0 426.518 -2.619 20 0 IAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126244 1068345272 /nfs/dbraw/zinc/34/52/72/1068345272.db2.gz MTFNAYXITLJFGU-HRAATJIYSA-N 1 0 441.573 -1.068 20 0 IAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126245 1068344685 /nfs/dbraw/zinc/34/46/85/1068344685.db2.gz MTFNAYXITLJFGU-KKSFZXQISA-N 1 0 441.573 -1.068 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21)C(N)=O ZINC001159135819 1068346004 /nfs/dbraw/zinc/34/60/04/1068346004.db2.gz FNSYVSFDRIEVCY-UYJHQMFVSA-N 1 0 441.529 -1.663 20 0 IAADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CCC2 ZINC001159173334 1068346036 /nfs/dbraw/zinc/34/60/36/1068346036.db2.gz UVSMZTWHGFZDID-INIZCTEOSA-N 1 0 432.525 -1.032 20 0 IAADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CCC2 ZINC001159173335 1068345808 /nfs/dbraw/zinc/34/58/08/1068345808.db2.gz UVSMZTWHGFZDID-MRXNPFEDSA-N 1 0 432.525 -1.032 20 0 IAADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCC2 ZINC001159173413 1068345958 /nfs/dbraw/zinc/34/59/58/1068345958.db2.gz XMEOLGKKUSAHDH-ZFWWWQNUSA-N 1 0 436.513 -1.538 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+][C@@H](CO2)C4)CC3)C1=O ZINC001159180211 1068345989 /nfs/dbraw/zinc/34/59/89/1068345989.db2.gz AGBULKOXEFYUKO-MDASCCDHSA-N 1 0 426.539 -1.150 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+][C@@H](CO2)C4)CC3)C1=O ZINC001159180212 1068346142 /nfs/dbraw/zinc/34/61/42/1068346142.db2.gz AGBULKOXEFYUKO-NIKGAXFTSA-N 1 0 426.539 -1.150 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])Cn2cccn2)CC3)C1=O ZINC001159180334 1068346421 /nfs/dbraw/zinc/34/64/21/1068346421.db2.gz CPBUTMQNPVRNFV-HNAYVOBHSA-N 1 0 438.554 -1.057 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])Cn2cccn2)CC3)C1=O ZINC001159180335 1068346700 /nfs/dbraw/zinc/34/67/00/1068346700.db2.gz CPBUTMQNPVRNFV-KXBFYZLASA-N 1 0 438.554 -1.057 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4N2)CC3)C1=O ZINC001159180340 1068346482 /nfs/dbraw/zinc/34/64/82/1068346482.db2.gz CWRQAXIBUXLBMZ-MFCZKXCZSA-N 1 0 439.582 -1.331 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4N2)CC3)C1=O ZINC001159180341 1068346802 /nfs/dbraw/zinc/34/68/02/1068346802.db2.gz CWRQAXIBUXLBMZ-ZFCANOHDSA-N 1 0 439.582 -1.331 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]C[C@H](O)C2)CC3)C1=O ZINC001159180676 1068346863 /nfs/dbraw/zinc/34/68/63/1068346863.db2.gz FWTANEQNHNUMFG-CLCXKQKWSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)CC3)C1=O ZINC001159180677 1068346461 /nfs/dbraw/zinc/34/64/61/1068346461.db2.gz FWTANEQNHNUMFG-DOXZYTNZSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)CC3)C1=O ZINC001159180678 1068346651 /nfs/dbraw/zinc/34/66/51/1068346651.db2.gz FWTANEQNHNUMFG-KHYOSLBOSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]C[C@@H](O)C2)CC3)C1=O ZINC001159180680 1068346516 /nfs/dbraw/zinc/34/65/16/1068346516.db2.gz FWTANEQNHNUMFG-VCBZYWHSSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2=NO[C@@H]4C[NH2+]C[C@H]24)CC3)C1=O ZINC001159180700 1068346613 /nfs/dbraw/zinc/34/66/13/1068346613.db2.gz FXNSYPSWLNBFSF-IQUTYRLHSA-N 1 0 439.538 -1.307 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2=NO[C@@H]4C[NH2+]C[C@H]24)CC3)C1=O ZINC001159180701 1068346725 /nfs/dbraw/zinc/34/67/25/1068346725.db2.gz FXNSYPSWLNBFSF-KSMMKXTCSA-N 1 0 439.538 -1.307 20 0 IAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159180721 1068346576 /nfs/dbraw/zinc/34/65/76/1068346576.db2.gz GKPNXUQXJNSIKX-KBXCAEBGSA-N 1 0 430.527 -1.391 20 0 IAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159180723 1068346672 /nfs/dbraw/zinc/34/66/72/1068346672.db2.gz GKPNXUQXJNSIKX-KSSFIOAISA-N 1 0 430.527 -1.391 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2COC4)CC3)C1=O ZINC001159181481 1068346631 /nfs/dbraw/zinc/34/66/31/1068346631.db2.gz KNTQUECPEBVUPO-RYGJVYDSSA-N 1 0 440.566 -1.045 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2COC4)CC3)C1=O ZINC001159181485 1068346956 /nfs/dbraw/zinc/34/69/56/1068346956.db2.gz KNTQUECPEBVUPO-YSSFQJQWSA-N 1 0 440.566 -1.045 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24CC[C@@H](N2)[C@H]([NH3+])C4)CC3)C1=O ZINC001159181524 1068346738 /nfs/dbraw/zinc/34/67/38/1068346738.db2.gz LQZMSIUTBIFMBY-IONDEXAJSA-N 1 0 439.582 -1.059 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24CC[C@@H](N2)[C@H]([NH3+])C4)CC3)C1=O ZINC001159181554 1068346881 /nfs/dbraw/zinc/34/68/81/1068346881.db2.gz LQZMSIUTBIFMBY-IPZZXCBHSA-N 1 0 439.582 -1.059 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/C(=O)NCC[NH3+])CC3)C1=O ZINC001159182066 1068347254 /nfs/dbraw/zinc/34/72/54/1068347254.db2.gz PMMPNPXBCYUQKL-GNAXCBTBSA-N 1 0 441.554 -1.650 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/C(=O)NCC[NH3+])CC3)C1=O ZINC001159182067 1068347621 /nfs/dbraw/zinc/34/76/21/1068347621.db2.gz PMMPNPXBCYUQKL-RTLBZRNLSA-N 1 0 441.554 -1.650 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CO[C@@H]4C[NH2+]C[C@H]24)CC3)C1=O ZINC001159182404 1068347173 /nfs/dbraw/zinc/34/71/73/1068347173.db2.gz RERADXSCIIOSOK-ASKKUZCQSA-N 1 0 440.566 -1.047 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CO[C@@H]4C[NH2+]C[C@H]24)CC3)C1=O ZINC001159182407 1068347383 /nfs/dbraw/zinc/34/73/83/1068347383.db2.gz RERADXSCIIOSOK-UIVXKWKOSA-N 1 0 440.566 -1.047 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+]C[C@@H]2CCN4)CC3)C1=O ZINC001159182497 1068347195 /nfs/dbraw/zinc/34/71/95/1068347195.db2.gz SQRDHYKJVMHECW-RYGJVYDSSA-N 1 0 439.582 -1.330 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+]C[C@H]2CCN4)CC3)C1=O ZINC001159182501 1068347522 /nfs/dbraw/zinc/34/75/22/1068347522.db2.gz SQRDHYKJVMHECW-UIAACRFSSA-N 1 0 439.582 -1.330 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2CCN4)CC3)C1=O ZINC001159182504 1068347136 /nfs/dbraw/zinc/34/71/36/1068347136.db2.gz SQRDHYKJVMHECW-XPGWFJOJSA-N 1 0 439.582 -1.330 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@@H]2CCN4)CC3)C1=O ZINC001159182506 1068347553 /nfs/dbraw/zinc/34/75/53/1068347553.db2.gz SQRDHYKJVMHECW-YSSFQJQWSA-N 1 0 439.582 -1.330 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC[C@H]2O)CC3)C1=O ZINC001159183061 1068347324 /nfs/dbraw/zinc/34/73/24/1068347324.db2.gz YBNUQUOQWTYBRV-CLCXKQKWSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC[C@@H]2O)CC3)C1=O ZINC001159183062 1068347232 /nfs/dbraw/zinc/34/72/32/1068347232.db2.gz YBNUQUOQWTYBRV-DOXZYTNZSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC[C@H]2O)CC3)C1=O ZINC001159183063 1068347431 /nfs/dbraw/zinc/34/74/31/1068347431.db2.gz YBNUQUOQWTYBRV-KHYOSLBOSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)CC3)C1=O ZINC001159183064 1068347444 /nfs/dbraw/zinc/34/74/44/1068347444.db2.gz YBNUQUOQWTYBRV-VCBZYWHSSA-N 1 0 428.555 -1.311 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(O)CC[NH2+]CC2)CC3)C1=O ZINC001159183097 1068347488 /nfs/dbraw/zinc/34/74/88/1068347488.db2.gz YMVBORGHERYSSE-GOSISDBHSA-N 1 0 428.555 -1.167 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(O)CC[NH2+]CC2)CC3)C1=O ZINC001159183103 1068347507 /nfs/dbraw/zinc/34/75/07/1068347507.db2.gz YMVBORGHERYSSE-SFHVURJKSA-N 1 0 428.555 -1.167 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(N)CC[NH2+]CC2)CC3)C1=O ZINC001159189254 1068347589 /nfs/dbraw/zinc/34/75/89/1068347589.db2.gz BSJNKELRHJLSAU-GOSISDBHSA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(N)CC[NH2+]CC2)CC3)C1=O ZINC001159189257 1068347457 /nfs/dbraw/zinc/34/74/57/1068347457.db2.gz BSJNKELRHJLSAU-SFHVURJKSA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC3)C1=O ZINC001159189718 1068347394 /nfs/dbraw/zinc/34/73/94/1068347394.db2.gz GGUQCUNHGPBJMC-IFXJQAMLSA-N 1 0 443.570 -1.298 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC3)C1=O ZINC001159189722 1068347419 /nfs/dbraw/zinc/34/74/19/1068347419.db2.gz GGUQCUNHGPBJMC-LIRRHRJNSA-N 1 0 443.570 -1.298 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC3)C1=O ZINC001159189936 1068347953 /nfs/dbraw/zinc/34/79/53/1068347953.db2.gz GVFKDCIDOPKPRX-BEFAXECRSA-N 1 0 427.571 -1.378 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC3)C1=O ZINC001159189937 1068348245 /nfs/dbraw/zinc/34/82/45/1068348245.db2.gz GVFKDCIDOPKPRX-DNVCBOLYSA-N 1 0 427.571 -1.378 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC3)C1=O ZINC001159189938 1068347859 /nfs/dbraw/zinc/34/78/59/1068347859.db2.gz GVFKDCIDOPKPRX-HNAYVOBHSA-N 1 0 427.571 -1.378 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC3)C1=O ZINC001159189939 1068348108 /nfs/dbraw/zinc/34/81/08/1068348108.db2.gz GVFKDCIDOPKPRX-KXBFYZLASA-N 1 0 427.571 -1.378 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CCC2=O)CC3)C1=O ZINC001159190654 1068348185 /nfs/dbraw/zinc/34/81/85/1068348185.db2.gz LNVFTLQUBLVOCO-AUUYWEPGSA-N 1 0 426.539 -1.103 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CCC2=O)CC3)C1=O ZINC001159190655 1068347789 /nfs/dbraw/zinc/34/77/89/1068347789.db2.gz LNVFTLQUBLVOCO-IFXJQAMLSA-N 1 0 426.539 -1.103 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CCC2=O)CC3)C1=O ZINC001159190732 1068348056 /nfs/dbraw/zinc/34/80/56/1068348056.db2.gz LNVFTLQUBLVOCO-KUHUBIRLSA-N 1 0 426.539 -1.103 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CCC2=O)CC3)C1=O ZINC001159190735 1068347920 /nfs/dbraw/zinc/34/79/20/1068347920.db2.gz LNVFTLQUBLVOCO-LIRRHRJNSA-N 1 0 426.539 -1.103 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159190871 1068347834 /nfs/dbraw/zinc/34/78/34/1068347834.db2.gz MSNTVQMAMGCEIH-CKFHNAJUSA-N 1 0 443.570 -1.429 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159190872 1068348018 /nfs/dbraw/zinc/34/80/18/1068348018.db2.gz MSNTVQMAMGCEIH-NJSLBKSFSA-N 1 0 443.570 -1.429 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191053 1068348570 /nfs/dbraw/zinc/34/85/70/1068348570.db2.gz ABMQACCFUIAXEK-HNNXBMFYSA-N 1 0 449.512 -2.425 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191054 1068348493 /nfs/dbraw/zinc/34/84/93/1068348493.db2.gz ABMQACCFUIAXEK-OAHLLOKOSA-N 1 0 449.512 -2.425 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC3)C1=O ZINC001159191722 1068348478 /nfs/dbraw/zinc/34/84/78/1068348478.db2.gz XINNGKAVRPARDK-MOPGFXCFSA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]2(N)CCC[NH2+]C2)CC3)C1=O ZINC001159191723 1068348811 /nfs/dbraw/zinc/34/88/11/1068348811.db2.gz XINNGKAVRPARDK-OALUTQOASA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC3)C1=O ZINC001159191725 1068348624 /nfs/dbraw/zinc/34/86/24/1068348624.db2.gz XINNGKAVRPARDK-RBUKOAKNSA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC3)C1=O ZINC001159191727 1068348939 /nfs/dbraw/zinc/34/89/39/1068348939.db2.gz XINNGKAVRPARDK-RTBURBONSA-N 1 0 427.571 -1.200 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC3)C1=O ZINC001159191734 1068348916 /nfs/dbraw/zinc/34/89/16/1068348916.db2.gz XMGGLWHLGNAZBL-AEPGYGRJSA-N 1 0 448.611 -1.185 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC3)C1=O ZINC001159191736 1068348656 /nfs/dbraw/zinc/34/86/56/1068348656.db2.gz XMGGLWHLGNAZBL-DJCSAQKLSA-N 1 0 448.611 -1.185 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC3)C1=O ZINC001159191738 1068348683 /nfs/dbraw/zinc/34/86/83/1068348683.db2.gz XMGGLWHLGNAZBL-JWPZTYLUSA-N 1 0 448.611 -1.185 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC3)C1=O ZINC001159191740 1068348783 /nfs/dbraw/zinc/34/87/83/1068348783.db2.gz XMGGLWHLGNAZBL-KIEFCZNCSA-N 1 0 448.611 -1.185 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CN2CC[NH2+]CC2)CC3)C1=O ZINC001159191752 1068348639 /nfs/dbraw/zinc/34/86/39/1068348639.db2.gz XVOPCGIBSURJTP-IBGZPJMESA-N 1 0 427.571 -1.376 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CN2CC[NH2+]CC2)CC3)C1=O ZINC001159191754 1068348825 /nfs/dbraw/zinc/34/88/25/1068348825.db2.gz XVOPCGIBSURJTP-LJQANCHMSA-N 1 0 427.571 -1.376 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1)C(N)=O ZINC001159204202 1068348887 /nfs/dbraw/zinc/34/88/87/1068348887.db2.gz XCWGSAQDJDZOBF-BTFPBAQTSA-N 1 0 426.518 -1.781 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209798 1068348864 /nfs/dbraw/zinc/34/88/64/1068348864.db2.gz LWIGHDKOTSLDSG-ARFHVFGLSA-N 1 0 448.480 -2.869 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159209812 1068348747 /nfs/dbraw/zinc/34/87/47/1068348747.db2.gz MJPCAPUJBRTSKB-BGJMDTOESA-N 1 0 447.536 -1.182 20 0 IAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001159223597 1068348718 /nfs/dbraw/zinc/34/87/18/1068348718.db2.gz BWOCHCVDNFKDIJ-KBPBESRZSA-N 1 0 435.510 -1.188 20 0 IAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001159223598 1068348843 /nfs/dbraw/zinc/34/88/43/1068348843.db2.gz BWOCHCVDNFKDIJ-KGLIPLIRSA-N 1 0 435.510 -1.188 20 0 IAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001159223599 1068348535 /nfs/dbraw/zinc/34/85/35/1068348535.db2.gz BWOCHCVDNFKDIJ-UONOGXRCSA-N 1 0 435.510 -1.188 20 0 IAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001159223601 1068349705 /nfs/dbraw/zinc/34/97/05/1068349705.db2.gz BWOCHCVDNFKDIJ-ZIAGYGMSSA-N 1 0 435.510 -1.188 20 0 IAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159224288 1068349342 /nfs/dbraw/zinc/34/93/42/1068349342.db2.gz IAJZJNPREJULNU-DRZSPHRISA-N 1 0 433.473 -2.257 20 0 IAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159224294 1068349537 /nfs/dbraw/zinc/34/95/37/1068349537.db2.gz IAJZJNPREJULNU-UHTWSYAYSA-N 1 0 433.473 -2.257 20 0 IAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159224755 1068349326 /nfs/dbraw/zinc/34/93/26/1068349326.db2.gz LNHNNTRBZUSJOB-CYBMUJFWSA-N 1 0 426.503 -1.744 20 0 IAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001159224756 1068349524 /nfs/dbraw/zinc/34/95/24/1068349524.db2.gz LNHNNTRBZUSJOB-ZDUSSCGKSA-N 1 0 426.503 -1.744 20 0 IAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159225112 1068349421 /nfs/dbraw/zinc/34/94/21/1068349421.db2.gz ODKFTAMAVNRXCN-FPMFFAJLSA-N 1 0 447.500 -1.867 20 0 IAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159225130 1068349180 /nfs/dbraw/zinc/34/91/80/1068349180.db2.gz ODKFTAMAVNRXCN-IACUBPJLSA-N 1 0 447.500 -1.867 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1 ZINC001159235850 1068349454 /nfs/dbraw/zinc/34/94/54/1068349454.db2.gz FTBJMTPYTJXMJD-ORQFMDKSSA-N 1 0 445.524 -1.310 20 0 IAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001159236383 1068349632 /nfs/dbraw/zinc/34/96/32/1068349632.db2.gz PFHNMLRPNGXCLE-KGLIPLIRSA-N 1 0 448.484 -3.457 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001159256780 1068349369 /nfs/dbraw/zinc/34/93/69/1068349369.db2.gz LHMOBTZZJISQCM-HTAPYJJXSA-N 1 0 445.520 -1.141 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001159256782 1068349670 /nfs/dbraw/zinc/34/96/70/1068349670.db2.gz LHMOBTZZJISQCM-JTSKRJEESA-N 1 0 445.520 -1.141 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001159256784 1068349292 /nfs/dbraw/zinc/34/92/92/1068349292.db2.gz LHMOBTZZJISQCM-VGOFRKELSA-N 1 0 445.520 -1.141 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001159256786 1068349745 /nfs/dbraw/zinc/34/97/45/1068349745.db2.gz LHMOBTZZJISQCM-VGSWGCGISA-N 1 0 445.520 -1.141 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21)C(N)=O ZINC001159267295 1068349825 /nfs/dbraw/zinc/34/98/25/1068349825.db2.gz IEXAXTATVQTVAY-CGSPGFDNSA-N 1 0 448.524 -1.389 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21 ZINC001159268689 1068349489 /nfs/dbraw/zinc/34/94/89/1068349489.db2.gz SGTKTGDFZOWXEE-CKENWRIRSA-N 1 0 434.497 -1.779 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272273 1068349257 /nfs/dbraw/zinc/34/92/57/1068349257.db2.gz LRODDHIPVQSNST-OLZOCXBDSA-N 1 0 434.457 -3.800 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273254 1068349580 /nfs/dbraw/zinc/34/95/80/1068349580.db2.gz RPLGXHMYOOOERM-JONQDZQNSA-N 1 0 431.497 -1.653 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159273826 1068350309 /nfs/dbraw/zinc/35/03/09/1068350309.db2.gz XQBSIBYXQARGSL-UHFFFAOYSA-N 1 0 425.471 -1.636 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1)C(N)=O ZINC001159278983 1068350140 /nfs/dbraw/zinc/35/01/40/1068350140.db2.gz FJBUHXOKQGBNGE-WCQYABFASA-N 1 0 446.468 -1.759 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159280088 1068350163 /nfs/dbraw/zinc/35/01/63/1068350163.db2.gz ZGOYLUDSNDVXNT-JQWIXIFHSA-N 1 0 432.441 -2.149 20 0 IAADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]32)nn1 ZINC001159296960 1068350260 /nfs/dbraw/zinc/35/02/60/1068350260.db2.gz FUQNHUSXIZUJQX-KGLIPLIRSA-N 1 0 448.484 -3.492 20 0 IAADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C[NH3+])C[C@H]32)nn1 ZINC001159297535 1068350188 /nfs/dbraw/zinc/35/01/88/1068350188.db2.gz MGJSFHONFBPJSL-NXOAAHMSSA-N 1 0 445.524 -1.345 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCn2nnc(COCc3cccnc3)c2C1)C(N)=O ZINC001159318257 1068350466 /nfs/dbraw/zinc/35/04/66/1068350466.db2.gz LMJKQCPRYWRGJW-DZGCQCFKSA-N 1 0 444.496 -1.170 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159357530 1068350175 /nfs/dbraw/zinc/35/01/75/1068350175.db2.gz BONNQIXQHPIZMF-NBGIZXCLSA-N 1 0 446.508 -1.475 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159389542 1068350386 /nfs/dbraw/zinc/35/03/86/1068350386.db2.gz ZRQNHRNFHNOJAR-JSGCOSHPSA-N 1 0 429.485 -1.275 20 0 IAADRO O=C(c1nnn2c1CNCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393349 1068350201 /nfs/dbraw/zinc/35/02/01/1068350201.db2.gz CGXNVLMXURDNQP-DZGCQCFKSA-N 1 0 444.521 -1.439 20 0 IAADRO O=C(CN1CCNCC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394289 1068350896 /nfs/dbraw/zinc/35/08/96/1068350896.db2.gz MSSAGVHRKPJDQK-LSDHHAIUSA-N 1 0 434.522 -1.750 20 0 IAADRO CCN1C[C@H]2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC[C@H]2S1(=O)=O ZINC001159403403 1068351616 /nfs/dbraw/zinc/35/16/16/1068351616.db2.gz JNIBNHNALWDJMK-XUWVNRHRSA-N 1 0 443.570 -1.287 20 0 IAADRO CCN1C[C@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[C@H]2S1(=O)=O ZINC001159404934 1068351703 /nfs/dbraw/zinc/35/17/03/1068351703.db2.gz ZNOMVENTRDZLCF-CHWSQXEVSA-N 1 0 446.530 -3.434 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001159416850 1068351850 /nfs/dbraw/zinc/35/18/50/1068351850.db2.gz HHHGSNSHTVECNG-VFNWGFHPSA-N 1 0 446.508 -1.604 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001159424220 1068351335 /nfs/dbraw/zinc/35/13/35/1068351335.db2.gz FYSWMDBPYMTQBC-ORAACGOFSA-N 1 0 432.525 -1.021 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159428708 1068351321 /nfs/dbraw/zinc/35/13/21/1068351321.db2.gz USAMLGZVCYTUOH-KRWDZBQOSA-N 1 0 446.551 -1.071 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159428710 1068351659 /nfs/dbraw/zinc/35/16/59/1068351659.db2.gz USAMLGZVCYTUOH-QGZVFWFLSA-N 1 0 446.551 -1.071 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159429222 1068351586 /nfs/dbraw/zinc/35/15/86/1068351586.db2.gz ZOJXBGGZDXNVOB-XAYKYTGQSA-N 1 0 426.495 -1.467 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159429223 1068351818 /nfs/dbraw/zinc/35/18/18/1068351818.db2.gz ZOJXBGGZDXNVOB-YEWDVWPNSA-N 1 0 426.495 -1.467 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159435973 1068351739 /nfs/dbraw/zinc/35/17/39/1068351739.db2.gz KIIJBLGQMUGXSN-IQUTYRLHSA-N 1 0 425.486 -2.521 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NCc2ccco2)C1 ZINC001159443611 1068351782 /nfs/dbraw/zinc/35/17/82/1068351782.db2.gz CKMLOKATRGQTIF-YRVYGCIDSA-N 1 0 449.508 -1.143 20 0 IAADRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159451616 1068352566 /nfs/dbraw/zinc/35/25/66/1068352566.db2.gz QMCWQWKNIOFJAP-KLHDSHLOSA-N 1 0 425.511 -1.600 20 0 IAADRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159451617 1068352312 /nfs/dbraw/zinc/35/23/12/1068352312.db2.gz QMCWQWKNIOFJAP-LVQVYYBASA-N 1 0 425.511 -1.600 20 0 IAADRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159451618 1068352445 /nfs/dbraw/zinc/35/24/45/1068352445.db2.gz QMCWQWKNIOFJAP-XUWVNRHRSA-N 1 0 425.511 -1.600 20 0 IAADRO [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159451619 1068352132 /nfs/dbraw/zinc/35/21/32/1068352132.db2.gz QMCWQWKNIOFJAP-ZJIFWQFVSA-N 1 0 425.511 -1.600 20 0 IAADRO O=C([C@H]1CNCc2ccnn21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159451796 1068352629 /nfs/dbraw/zinc/35/26/29/1068352629.db2.gz XMBUPUNAFLOCQY-QBPKDAKJSA-N 1 0 437.522 -1.352 20 0 IAADRO O=C([C@@H]1CNCc2ccnn21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159451797 1068352224 /nfs/dbraw/zinc/35/22/24/1068352224.db2.gz XMBUPUNAFLOCQY-VVLHAWIVSA-N 1 0 437.522 -1.352 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CNCc4ccnn43)C[C@@H]21)N1CCOCC1 ZINC001159451798 1068352393 /nfs/dbraw/zinc/35/23/93/1068352393.db2.gz XMBUPUNAFLOCQY-WCXIOVBPSA-N 1 0 437.522 -1.352 20 0 IAADRO O=C([C@H]1CNCc2ccnn21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159451799 1068352194 /nfs/dbraw/zinc/35/21/94/1068352194.db2.gz XMBUPUNAFLOCQY-YLFCFFPRSA-N 1 0 437.522 -1.352 20 0 IAADRO CC1(C)CN[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CO1 ZINC001159456916 1068352280 /nfs/dbraw/zinc/35/22/80/1068352280.db2.gz BAJSCQMNVBAZCU-LVQVYYBASA-N 1 0 429.539 -1.126 20 0 IAADRO CC1(C)CN[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CO1 ZINC001159456917 1068352608 /nfs/dbraw/zinc/35/26/08/1068352608.db2.gz BAJSCQMNVBAZCU-XUWVNRHRSA-N 1 0 429.539 -1.126 20 0 IAADRO O=C(c1cc2n(n1)CCNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456956 1068352417 /nfs/dbraw/zinc/35/24/17/1068352417.db2.gz BYBNPJAKDOLAFN-BFYDXBDKSA-N 1 0 437.522 -1.280 20 0 IAADRO CO[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159457020 1068352896 /nfs/dbraw/zinc/35/28/96/1068352896.db2.gz CTMPQQJVOXLUSE-BPKGMFCQSA-N 1 0 429.539 -1.126 20 0 IAADRO CO[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159457021 1068353107 /nfs/dbraw/zinc/35/31/07/1068353107.db2.gz CTMPQQJVOXLUSE-OVYGPGRDSA-N 1 0 429.539 -1.126 20 0 IAADRO CO[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159457022 1068353207 /nfs/dbraw/zinc/35/32/07/1068353207.db2.gz CTMPQQJVOXLUSE-WRQOLXDDSA-N 1 0 429.539 -1.126 20 0 IAADRO CO[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159457023 1068353031 /nfs/dbraw/zinc/35/30/31/1068353031.db2.gz CTMPQQJVOXLUSE-ZHCJQAHYSA-N 1 0 429.539 -1.126 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457094 1068353152 /nfs/dbraw/zinc/35/31/52/1068353152.db2.gz DYIVQOPYSNTOJN-BTFPBAQTSA-N 1 0 430.527 -2.041 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457095 1068352849 /nfs/dbraw/zinc/35/28/49/1068352849.db2.gz DYIVQOPYSNTOJN-VQJWOFKYSA-N 1 0 430.527 -2.041 20 0 IAADRO O=C(c1n[nH]c2c1CC[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457158 1068353180 /nfs/dbraw/zinc/35/31/80/1068353180.db2.gz FWEJASXRCXLAJN-JGGQBBKZSA-N 1 0 437.522 -1.211 20 0 IAADRO O=C(c1n[nH]c2c1CC[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457159 1068353005 /nfs/dbraw/zinc/35/30/05/1068353005.db2.gz FWEJASXRCXLAJN-XNRPHZJLSA-N 1 0 437.522 -1.211 20 0 IAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457404 1068352876 /nfs/dbraw/zinc/35/28/76/1068352876.db2.gz GLROPNKAPZZFII-JXMXSTLTSA-N 1 0 426.539 -1.943 20 0 IAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457405 1068353997 /nfs/dbraw/zinc/35/39/97/1068353997.db2.gz GLROPNKAPZZFII-YHPRMOQLSA-N 1 0 426.539 -1.943 20 0 IAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457436 1068353633 /nfs/dbraw/zinc/35/36/33/1068353633.db2.gz HCLFYEMTCZUNHM-LVQVYYBASA-N 1 0 442.538 -1.943 20 0 IAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457437 1068353961 /nfs/dbraw/zinc/35/39/61/1068353961.db2.gz HCLFYEMTCZUNHM-XUWVNRHRSA-N 1 0 442.538 -1.943 20 0 IAADRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457446 1068353762 /nfs/dbraw/zinc/35/37/62/1068353762.db2.gz HJNKOMWMEMNAIT-FQESAXDCSA-N 1 0 441.550 -1.126 20 0 IAADRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457447 1068353919 /nfs/dbraw/zinc/35/39/19/1068353919.db2.gz HJNKOMWMEMNAIT-IWGURSETSA-N 1 0 441.550 -1.126 20 0 IAADRO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC001159457448 1068353553 /nfs/dbraw/zinc/35/35/53/1068353553.db2.gz HMLVHFOZLHGDPK-BRSBDYLESA-N 1 0 442.582 -1.209 20 0 IAADRO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC001159457449 1068353855 /nfs/dbraw/zinc/35/38/55/1068353855.db2.gz HMLVHFOZLHGDPK-BSDSXHPESA-N 1 0 442.582 -1.209 20 0 IAADRO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC001159457450 1068353841 /nfs/dbraw/zinc/35/38/41/1068353841.db2.gz HMLVHFOZLHGDPK-WNRNVDISSA-N 1 0 442.582 -1.209 20 0 IAADRO CN(CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC001159457451 1068353590 /nfs/dbraw/zinc/35/35/90/1068353590.db2.gz HMLVHFOZLHGDPK-XMTFNYHQSA-N 1 0 442.582 -1.209 20 0 IAADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457474 1068353722 /nfs/dbraw/zinc/35/37/22/1068353722.db2.gz HYWJKJRMFOTHAH-JGGQBBKZSA-N 1 0 437.522 -1.211 20 0 IAADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457475 1068353873 /nfs/dbraw/zinc/35/38/73/1068353873.db2.gz HYWJKJRMFOTHAH-XNRPHZJLSA-N 1 0 437.522 -1.211 20 0 IAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457734 1068353984 /nfs/dbraw/zinc/35/39/84/1068353984.db2.gz JDNFQBYMDWXQQK-LVQVYYBASA-N 1 0 442.538 -2.025 20 0 IAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457735 1068353661 /nfs/dbraw/zinc/35/36/61/1068353661.db2.gz JDNFQBYMDWXQQK-XUWVNRHRSA-N 1 0 442.538 -2.025 20 0 IAADRO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457978 1068353681 /nfs/dbraw/zinc/35/36/81/1068353681.db2.gz KIKZTGLCBGBQLA-JXMXSTLTSA-N 1 0 427.523 -1.659 20 0 IAADRO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457979 1068354227 /nfs/dbraw/zinc/35/42/27/1068354227.db2.gz KIKZTGLCBGBQLA-NWHWRWDZSA-N 1 0 427.523 -1.659 20 0 IAADRO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC[NH2+]C[C@H]1O ZINC001159457998 1068354538 /nfs/dbraw/zinc/35/45/38/1068354538.db2.gz KQRVIJFCOKMAEL-HLTONANMSA-N 1 0 429.539 -1.533 20 0 IAADRO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC[NH2+]C[C@H]1O ZINC001159457999 1068354397 /nfs/dbraw/zinc/35/43/97/1068354397.db2.gz KQRVIJFCOKMAEL-MEXWJNSZSA-N 1 0 429.539 -1.533 20 0 IAADRO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC[NH2+]C[C@@H]1O ZINC001159458000 1068354426 /nfs/dbraw/zinc/35/44/26/1068354426.db2.gz KQRVIJFCOKMAEL-RGQDEETRSA-N 1 0 429.539 -1.533 20 0 IAADRO C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC[NH2+]C[C@@H]1O ZINC001159458001 1068354278 /nfs/dbraw/zinc/35/42/78/1068354278.db2.gz KQRVIJFCOKMAEL-RMWBKXBUSA-N 1 0 429.539 -1.533 20 0 IAADRO CCOC(=O)C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C[NH2+]C1 ZINC001159458016 1068354339 /nfs/dbraw/zinc/35/43/39/1068354339.db2.gz LCVAUDLZPDBLIK-RBSFLKMASA-N 1 0 443.522 -1.740 20 0 IAADRO CCOC(=O)C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C[NH2+]C1 ZINC001159458017 1068354552 /nfs/dbraw/zinc/35/45/52/1068354552.db2.gz LCVAUDLZPDBLIK-RRFJBIMHSA-N 1 0 443.522 -1.740 20 0 IAADRO [NH3+]CCOCCOCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458062 1068354211 /nfs/dbraw/zinc/35/42/11/1068354211.db2.gz MFEZWBSQLZONRD-ARFHVFGLSA-N 1 0 433.527 -1.901 20 0 IAADRO [NH3+]CCOCCOCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458063 1068354512 /nfs/dbraw/zinc/35/45/12/1068354512.db2.gz MFEZWBSQLZONRD-BZUAXINKSA-N 1 0 433.527 -1.901 20 0 IAADRO O=C(COC1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458075 1068354383 /nfs/dbraw/zinc/35/43/83/1068354383.db2.gz MHOKDIGTYMDULS-BRWVUGGUSA-N 1 0 429.539 -1.125 20 0 IAADRO O=C(COC1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458078 1068354369 /nfs/dbraw/zinc/35/43/69/1068354369.db2.gz MHOKDIGTYMDULS-GVDBMIGSSA-N 1 0 429.539 -1.125 20 0 IAADRO O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458310 1068354954 /nfs/dbraw/zinc/35/49/54/1068354954.db2.gz MYPUSDXMGCMWCB-KHHDSSOXSA-N 1 0 441.550 -1.126 20 0 IAADRO O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458311 1068355024 /nfs/dbraw/zinc/35/50/24/1068355024.db2.gz MYPUSDXMGCMWCB-PYTCMNEWSA-N 1 0 441.550 -1.126 20 0 IAADRO O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458736 1068355197 /nfs/dbraw/zinc/35/51/97/1068355197.db2.gz QCDDRZGKAYKVCM-VQJWOFKYSA-N 1 0 426.495 -1.919 20 0 IAADRO O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458743 1068354890 /nfs/dbraw/zinc/35/48/90/1068354890.db2.gz QCDDRZGKAYKVCM-XLWJZTARSA-N 1 0 426.495 -1.919 20 0 IAADRO NC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458850 1068355178 /nfs/dbraw/zinc/35/51/78/1068355178.db2.gz QTGHDBWZCIMWII-BYNSBNAKSA-N 1 0 430.527 -1.910 20 0 IAADRO NC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458851 1068355008 /nfs/dbraw/zinc/35/50/08/1068355008.db2.gz QTGHDBWZCIMWII-GBJTYRQASA-N 1 0 430.527 -1.910 20 0 IAADRO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458860 1068354907 /nfs/dbraw/zinc/35/49/07/1068354907.db2.gz QXAIPDDITMPLBD-DSJMHWKBSA-N 1 0 440.522 -2.415 20 0 IAADRO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458861 1068355038 /nfs/dbraw/zinc/35/50/38/1068355038.db2.gz QXAIPDDITMPLBD-IXYNUQLISA-N 1 0 440.522 -2.415 20 0 IAADRO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458862 1068355159 /nfs/dbraw/zinc/35/51/59/1068355159.db2.gz QXAIPDDITMPLBD-KQTLUZQSSA-N 1 0 440.522 -2.415 20 0 IAADRO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458863 1068354991 /nfs/dbraw/zinc/35/49/91/1068354991.db2.gz QXAIPDDITMPLBD-NHIYQJMISA-N 1 0 440.522 -2.415 20 0 IAADRO O=C([C@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458864 1068354968 /nfs/dbraw/zinc/35/49/68/1068354968.db2.gz QXGREIDJLRWQJG-KLHDSHLOSA-N 1 0 427.523 -1.372 20 0 IAADRO O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458865 1068355213 /nfs/dbraw/zinc/35/52/13/1068355213.db2.gz QXGREIDJLRWQJG-LVQVYYBASA-N 1 0 427.523 -1.372 20 0 IAADRO O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458866 1068355109 /nfs/dbraw/zinc/35/51/09/1068355109.db2.gz QXGREIDJLRWQJG-XUWVNRHRSA-N 1 0 427.523 -1.372 20 0 IAADRO O=C([C@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458867 1068354877 /nfs/dbraw/zinc/35/48/77/1068354877.db2.gz QXGREIDJLRWQJG-ZJIFWQFVSA-N 1 0 427.523 -1.372 20 0 IAADRO O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458890 1068354854 /nfs/dbraw/zinc/35/48/54/1068354854.db2.gz RMLAEPNFMFVTLB-NPNMTCQASA-N 1 0 440.522 -1.385 20 0 IAADRO O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458891 1068355139 /nfs/dbraw/zinc/35/51/39/1068355139.db2.gz RMLAEPNFMFVTLB-UMHPPVOVSA-N 1 0 440.522 -1.385 20 0 IAADRO O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458892 1068355279 /nfs/dbraw/zinc/35/52/79/1068355279.db2.gz RMLAEPNFMFVTLB-XWESNNAXSA-N 1 0 440.522 -1.385 20 0 IAADRO O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458893 1068355621 /nfs/dbraw/zinc/35/56/21/1068355621.db2.gz RMLAEPNFMFVTLB-ZDXGLAPJSA-N 1 0 440.522 -1.385 20 0 IAADRO [NH3+][C@@H](Cn1cccn1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458896 1068355752 /nfs/dbraw/zinc/35/57/52/1068355752.db2.gz RMYXZQFDQLAWNZ-LVQVYYBASA-N 1 0 425.511 -1.669 20 0 IAADRO [NH3+][C@@H](Cn1cccn1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458897 1068355446 /nfs/dbraw/zinc/35/54/46/1068355446.db2.gz RMYXZQFDQLAWNZ-XUWVNRHRSA-N 1 0 425.511 -1.669 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458924 1068355736 /nfs/dbraw/zinc/35/57/36/1068355736.db2.gz RTGMWWGPFMACCG-FIDHJVLJSA-N 1 0 443.522 -1.742 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458925 1068355467 /nfs/dbraw/zinc/35/54/67/1068355467.db2.gz RTGMWWGPFMACCG-MZBWOGCUSA-N 1 0 443.522 -1.742 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458926 1068355605 /nfs/dbraw/zinc/35/56/05/1068355605.db2.gz RTGMWWGPFMACCG-WRQOLXDDSA-N 1 0 443.522 -1.742 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458927 1068355816 /nfs/dbraw/zinc/35/58/16/1068355816.db2.gz RTGMWWGPFMACCG-ZHCJQAHYSA-N 1 0 443.522 -1.742 20 0 IAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458942 1068355638 /nfs/dbraw/zinc/35/56/38/1068355638.db2.gz SCDPQPDBHVVRMY-CZISBCJSSA-N 1 0 435.568 -1.797 20 0 IAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458943 1068355788 /nfs/dbraw/zinc/35/57/88/1068355788.db2.gz SCDPQPDBHVVRMY-DZHAQDDHSA-N 1 0 435.568 -1.797 20 0 IAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458944 1068355860 /nfs/dbraw/zinc/35/58/60/1068355860.db2.gz SCDPQPDBHVVRMY-RFSNUSQTSA-N 1 0 435.568 -1.797 20 0 IAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458945 1068355521 /nfs/dbraw/zinc/35/55/21/1068355521.db2.gz SCDPQPDBHVVRMY-XQDRBDDKSA-N 1 0 435.568 -1.797 20 0 IAADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458950 1068355831 /nfs/dbraw/zinc/35/58/31/1068355831.db2.gz SDHVHPLDCLZYIO-APIJFGDWSA-N 1 0 445.542 -2.117 20 0 IAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458951 1068355581 /nfs/dbraw/zinc/35/55/81/1068355581.db2.gz SDHVHPLDCLZYIO-GBJTYRQASA-N 1 0 445.542 -2.117 20 0 IAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458952 1068355479 /nfs/dbraw/zinc/35/54/79/1068355479.db2.gz SDHVHPLDCLZYIO-KBUPBQIOSA-N 1 0 445.542 -2.117 20 0 IAADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458953 1068355703 /nfs/dbraw/zinc/35/57/03/1068355703.db2.gz SDHVHPLDCLZYIO-LJISPDSOSA-N 1 0 445.542 -2.117 20 0 IAADRO NC(=[NH2+])NCCCCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458992 1068355886 /nfs/dbraw/zinc/35/58/86/1068355886.db2.gz SUXKXRZURBCBIQ-RBSFLKMASA-N 1 0 429.543 -1.240 20 0 IAADRO NC(=[NH2+])NCCCCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458993 1068355547 /nfs/dbraw/zinc/35/55/47/1068355547.db2.gz SUXKXRZURBCBIQ-RRFJBIMHSA-N 1 0 429.543 -1.240 20 0 IAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459012 1068356437 /nfs/dbraw/zinc/35/64/37/1068356437.db2.gz TUHOZXWNNBSYAB-KLHDSHLOSA-N 1 0 442.538 -2.563 20 0 IAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459013 1068356118 /nfs/dbraw/zinc/35/61/18/1068356118.db2.gz TUHOZXWNNBSYAB-LVQVYYBASA-N 1 0 442.538 -2.563 20 0 IAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459014 1068356246 /nfs/dbraw/zinc/35/62/46/1068356246.db2.gz TUHOZXWNNBSYAB-XUWVNRHRSA-N 1 0 442.538 -2.563 20 0 IAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459015 1068356364 /nfs/dbraw/zinc/35/63/64/1068356364.db2.gz TUHOZXWNNBSYAB-ZJIFWQFVSA-N 1 0 442.538 -2.563 20 0 IAADRO [NH3+]CCNC(=O)/C=C/C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459116 1068356309 /nfs/dbraw/zinc/35/63/09/1068356309.db2.gz VVCLZBRXEHVBPD-QMASMEAISA-N 1 0 428.511 -2.262 20 0 IAADRO [NH3+]CCNC(=O)/C=C/C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459117 1068356030 /nfs/dbraw/zinc/35/60/30/1068356030.db2.gz VVCLZBRXEHVBPD-VRPMXSRISA-N 1 0 428.511 -2.262 20 0 IAADRO Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459262 1068356338 /nfs/dbraw/zinc/35/63/38/1068356338.db2.gz WSKXYRBOOAUZHH-VVLHAWIVSA-N 1 0 439.538 -1.590 20 0 IAADRO Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459265 1068356265 /nfs/dbraw/zinc/35/62/65/1068356265.db2.gz WSKXYRBOOAUZHH-WCXIOVBPSA-N 1 0 439.538 -1.590 20 0 IAADRO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CCOCC1 ZINC001159459277 1068356094 /nfs/dbraw/zinc/35/60/94/1068356094.db2.gz WWHYFCSONBTXGK-HZMVEIRTSA-N 1 0 429.539 -1.139 20 0 IAADRO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CCOCC1 ZINC001159459279 1068356164 /nfs/dbraw/zinc/35/61/64/1068356164.db2.gz WWHYFCSONBTXGK-VQHPVUNQSA-N 1 0 429.539 -1.139 20 0 IAADRO C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159459294 1068356080 /nfs/dbraw/zinc/35/60/80/1068356080.db2.gz XQQWFOQDFMTYTK-BRSBDYLESA-N 1 0 442.582 -1.209 20 0 IAADRO C[NH2+][C@H]1CCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001159459295 1068356295 /nfs/dbraw/zinc/35/62/95/1068356295.db2.gz XQQWFOQDFMTYTK-BSDSXHPESA-N 1 0 442.582 -1.209 20 0 IAADRO C[NH2+][C@H]1CCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159459296 1068356425 /nfs/dbraw/zinc/35/64/25/1068356425.db2.gz XQQWFOQDFMTYTK-WNRNVDISSA-N 1 0 442.582 -1.209 20 0 IAADRO C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159459297 1068356149 /nfs/dbraw/zinc/35/61/49/1068356149.db2.gz XQQWFOQDFMTYTK-XMTFNYHQSA-N 1 0 442.582 -1.209 20 0 IAADRO O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459360 1068356960 /nfs/dbraw/zinc/35/69/60/1068356960.db2.gz YQBVVOWBRLFVHM-KHHDSSOXSA-N 1 0 441.550 -1.126 20 0 IAADRO O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459361 1068356805 /nfs/dbraw/zinc/35/68/05/1068356805.db2.gz YQBVVOWBRLFVHM-PYTCMNEWSA-N 1 0 441.550 -1.126 20 0 IAADRO O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459366 1068356725 /nfs/dbraw/zinc/35/67/25/1068356725.db2.gz YUFDDZOBBFQPET-RNGXCGTMSA-N 1 0 427.523 -1.516 20 0 IAADRO O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459367 1068357010 /nfs/dbraw/zinc/35/70/10/1068357010.db2.gz YUFDDZOBBFQPET-ZDGDKENJSA-N 1 0 427.523 -1.516 20 0 IAADRO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CCC(O)CC1 ZINC001159459399 1068357034 /nfs/dbraw/zinc/35/70/34/1068357034.db2.gz ZNPCTQGTFNCYOA-FOYUHDTOSA-N 1 0 443.566 -1.015 20 0 IAADRO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CCC(O)CC1 ZINC001159459401 1068357050 /nfs/dbraw/zinc/35/70/50/1068357050.db2.gz ZNPCTQGTFNCYOA-PANIWCHNSA-N 1 0 443.566 -1.015 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]21)N1CCOCC1 ZINC001159459422 1068356743 /nfs/dbraw/zinc/35/67/43/1068356743.db2.gz ZZDLNOCCTYCNKD-DBDOFBCQSA-N 1 0 427.523 -1.657 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@@H]21)N1CCOCC1 ZINC001159459425 1068356758 /nfs/dbraw/zinc/35/67/58/1068356758.db2.gz ZZDLNOCCTYCNKD-MEXWJNSZSA-N 1 0 427.523 -1.657 20 0 IAADRO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C3)n1 ZINC001159471212 1068356820 /nfs/dbraw/zinc/35/68/20/1068356820.db2.gz DYSDOUROJBXZPB-PCPGWFQFSA-N 1 0 445.476 -1.143 20 0 IAADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001159471567 1068356883 /nfs/dbraw/zinc/35/68/83/1068356883.db2.gz IHARJQWNXYDIBP-HUTJROTASA-N 1 0 447.540 -1.051 20 0 IAADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C1 ZINC001159471576 1068356908 /nfs/dbraw/zinc/35/69/08/1068356908.db2.gz IHARJQWNXYDIBP-QURLWZIUSA-N 1 0 447.540 -1.051 20 0 IAADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001159472124 1068356772 /nfs/dbraw/zinc/35/67/72/1068356772.db2.gz PXOITWMVENDVAW-UHBVIIIMSA-N 1 0 433.513 -1.441 20 0 IAADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001159472125 1068356941 /nfs/dbraw/zinc/35/69/41/1068356941.db2.gz PXOITWMVENDVAW-YZIJFISFSA-N 1 0 433.513 -1.441 20 0 IAADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1=O ZINC001159492180 1068357020 /nfs/dbraw/zinc/35/70/20/1068357020.db2.gz JMKJJSFCDCCTRK-FOIQADDNSA-N 1 0 444.540 -1.147 20 0 IAADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1=O ZINC001159492181 1068357230 /nfs/dbraw/zinc/35/72/30/1068357230.db2.gz JMKJJSFCDCCTRK-MGPUTAFESA-N 1 0 444.540 -1.147 20 0 IAADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1=O ZINC001159492182 1068357376 /nfs/dbraw/zinc/35/73/76/1068357376.db2.gz JMKJJSFCDCCTRK-QRWLVFNGSA-N 1 0 444.540 -1.147 20 0 IAADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1=O ZINC001159492183 1068357722 /nfs/dbraw/zinc/35/77/22/1068357722.db2.gz JMKJJSFCDCCTRK-YWZLYKJASA-N 1 0 444.540 -1.147 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1)C(N)=O ZINC001159492681 1068357575 /nfs/dbraw/zinc/35/75/75/1068357575.db2.gz MWDWMJZOVQQNDU-LRDNONRASA-N 1 0 438.529 -1.987 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1)C(N)=O ZINC001159492683 1068357392 /nfs/dbraw/zinc/35/73/92/1068357392.db2.gz MWDWMJZOVQQNDU-MNVSYLFESA-N 1 0 438.529 -1.987 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1)C(N)=O ZINC001159493101 1068357312 /nfs/dbraw/zinc/35/73/12/1068357312.db2.gz QECHIWOBHUKZST-OFQRWUPVSA-N 1 0 433.513 -1.439 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1)C(N)=O ZINC001159493104 1068357638 /nfs/dbraw/zinc/35/76/38/1068357638.db2.gz QECHIWOBHUKZST-SQWLQELKSA-N 1 0 433.513 -1.439 20 0 IAADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1=O ZINC001159493495 1068357698 /nfs/dbraw/zinc/35/76/98/1068357698.db2.gz SSMWZOWYODXWBA-KBXCAEBGSA-N 1 0 426.539 -1.308 20 0 IAADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1=O ZINC001159493497 1068357275 /nfs/dbraw/zinc/35/72/75/1068357275.db2.gz SSMWZOWYODXWBA-KDOFPFPSSA-N 1 0 426.539 -1.308 20 0 IAADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1=O ZINC001159493499 1068357519 /nfs/dbraw/zinc/35/75/19/1068357519.db2.gz SSMWZOWYODXWBA-KSSFIOAISA-N 1 0 426.539 -1.308 20 0 IAADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C2)C1=O ZINC001159493501 1068357671 /nfs/dbraw/zinc/35/76/71/1068357671.db2.gz SSMWZOWYODXWBA-RDTXWAMCSA-N 1 0 426.539 -1.308 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159494109 1068357591 /nfs/dbraw/zinc/35/75/91/1068357591.db2.gz WOAJVNDDSZYZRE-WFASDCNBSA-N 1 0 447.496 -1.821 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514724 1068357545 /nfs/dbraw/zinc/35/75/45/1068357545.db2.gz JPHFREPBJLYJBL-UHFFFAOYSA-N 1 0 446.472 -3.438 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514996 1068357480 /nfs/dbraw/zinc/35/74/80/1068357480.db2.gz NDPYKHFHEMRDQO-HOCLYGCPSA-N 1 0 443.512 -1.290 20 0 IAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159519043 1068357733 /nfs/dbraw/zinc/35/77/33/1068357733.db2.gz BYMVIJYCEAASQF-AWEZNQCLSA-N 1 0 428.501 -1.074 20 0 IAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159519044 1068357625 /nfs/dbraw/zinc/35/76/25/1068357625.db2.gz BYMVIJYCEAASQF-CQSZACIVSA-N 1 0 428.501 -1.074 20 0 IAADRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])O2)n1 ZINC001159519352 1068357338 /nfs/dbraw/zinc/35/73/38/1068357338.db2.gz HLNQOWUNKQKDBO-UPJWGTAASA-N 1 0 437.457 -2.494 20 0 IAADRO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159519787 1068358348 /nfs/dbraw/zinc/35/83/48/1068358348.db2.gz MMTWDTFHAIIBEW-ZFWWWQNUSA-N 1 0 448.528 -1.557 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527375 1068358529 /nfs/dbraw/zinc/35/85/29/1068358529.db2.gz CLCDELVMXVATOG-CVEARBPZSA-N 1 0 437.545 -1.030 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527379 1068358035 /nfs/dbraw/zinc/35/80/35/1068358035.db2.gz CLCDELVMXVATOG-HOTGVXAUSA-N 1 0 437.545 -1.030 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527380 1068357989 /nfs/dbraw/zinc/35/79/89/1068357989.db2.gz CLCDELVMXVATOG-HZPDHXFCSA-N 1 0 437.545 -1.030 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527382 1068358420 /nfs/dbraw/zinc/35/84/20/1068358420.db2.gz CLCDELVMXVATOG-JKSUJKDBSA-N 1 0 437.545 -1.030 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159530223 1068358569 /nfs/dbraw/zinc/35/85/69/1068358569.db2.gz SRXYJCUDMWKCQY-JYJNAYRXSA-N 1 0 438.529 -1.981 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001159530224 1068358380 /nfs/dbraw/zinc/35/83/80/1068358380.db2.gz SRXYJCUDMWKCQY-XHSDSOJGSA-N 1 0 438.529 -1.981 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530301 1068358190 /nfs/dbraw/zinc/35/81/90/1068358190.db2.gz UZMHSGFKPGXWTM-AEFFLSMTSA-N 1 0 434.541 -1.475 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530306 1068358268 /nfs/dbraw/zinc/35/82/68/1068358268.db2.gz UZMHSGFKPGXWTM-FUHWJXTLSA-N 1 0 434.541 -1.475 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530308 1068358489 /nfs/dbraw/zinc/35/84/89/1068358489.db2.gz UZMHSGFKPGXWTM-SJLPKXTDSA-N 1 0 434.541 -1.475 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530309 1068358118 /nfs/dbraw/zinc/35/81/18/1068358118.db2.gz UZMHSGFKPGXWTM-WMZOPIPTSA-N 1 0 434.541 -1.475 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530892 1068358307 /nfs/dbraw/zinc/35/83/07/1068358307.db2.gz YMXXTSSCPWIXHU-BEFAXECRSA-N 1 0 432.525 -1.327 20 0 IAADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530893 1068358961 /nfs/dbraw/zinc/35/89/61/1068358961.db2.gz YMXXTSSCPWIXHU-DNVCBOLYSA-N 1 0 432.525 -1.327 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530894 1068359193 /nfs/dbraw/zinc/35/91/93/1068359193.db2.gz YMXXTSSCPWIXHU-HNAYVOBHSA-N 1 0 432.525 -1.327 20 0 IAADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530895 1068358802 /nfs/dbraw/zinc/35/88/02/1068358802.db2.gz YMXXTSSCPWIXHU-KXBFYZLASA-N 1 0 432.525 -1.327 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1 ZINC001159534047 1068358904 /nfs/dbraw/zinc/35/89/04/1068358904.db2.gz SKCHPNPKXXHVDM-JZAWBGDQSA-N 1 0 437.541 -1.040 20 0 IAADRO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001159543242 1068358983 /nfs/dbraw/zinc/35/89/83/1068358983.db2.gz DSZYDIMHSXOYRQ-DSEONOSFSA-N 1 0 425.530 -1.279 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159586180 1068358872 /nfs/dbraw/zinc/35/88/72/1068358872.db2.gz WOEMPMDJOZPRMV-HNNXBMFYSA-N 1 0 449.512 -2.425 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159586181 1068358935 /nfs/dbraw/zinc/35/89/35/1068358935.db2.gz WOEMPMDJOZPRMV-OAHLLOKOSA-N 1 0 449.512 -2.425 20 0 IAADRO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593959 1068359104 /nfs/dbraw/zinc/35/91/04/1068359104.db2.gz IXYNHQSTHXNIFC-MJEZEWASSA-N 1 0 447.517 -1.556 20 0 IAADRO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593968 1068359287 /nfs/dbraw/zinc/35/92/87/1068359287.db2.gz IXYNHQSTHXNIFC-RPWFAHAXSA-N 1 0 447.517 -1.556 20 0 IAADRO [NH3+]CCNC(=O)/C=C/C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595272 1068359278 /nfs/dbraw/zinc/35/92/78/1068359278.db2.gz REKYZRPANIATPH-NLEFUOIISA-N 1 0 435.506 -1.403 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159595276 1068359166 /nfs/dbraw/zinc/35/91/66/1068359166.db2.gz RHISBLGIYIHMLC-HZPDHXFCSA-N 1 0 444.492 -1.910 20 0 IAADRO O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595754 1068358856 /nfs/dbraw/zinc/35/88/56/1068358856.db2.gz SYSDPVKKIWGWQT-LCEIHVTHSA-N 1 0 433.490 -1.060 20 0 IAADRO O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159595758 1068359231 /nfs/dbraw/zinc/35/92/31/1068359231.db2.gz TVQBWEQFKYTYOR-JOMPHRNESA-N 1 0 433.534 -1.083 20 0 IAADRO O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159595759 1068358830 /nfs/dbraw/zinc/35/88/30/1068358830.db2.gz TVQBWEQFKYTYOR-NLPMXTIOSA-N 1 0 433.534 -1.083 20 0 IAADRO O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159595760 1068359211 /nfs/dbraw/zinc/35/92/11/1068359211.db2.gz TVQBWEQFKYTYOR-SQIBXOBRSA-N 1 0 433.534 -1.083 20 0 IAADRO O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159595761 1068359574 /nfs/dbraw/zinc/35/95/74/1068359574.db2.gz TVQBWEQFKYTYOR-VYMYIBDJSA-N 1 0 433.534 -1.083 20 0 IAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595785 1068359552 /nfs/dbraw/zinc/35/95/52/1068359552.db2.gz URXQIGOUTMPGQS-WWNBULGVSA-N 1 0 449.533 -1.704 20 0 IAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595786 1068359460 /nfs/dbraw/zinc/35/94/60/1068359460.db2.gz URXQIGOUTMPGQS-YLAKUSLOSA-N 1 0 449.533 -1.704 20 0 IAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595847 1068359863 /nfs/dbraw/zinc/35/98/63/1068359863.db2.gz XEHJWFLYULHKLP-UQZKUAJDSA-N 1 0 433.534 -1.085 20 0 IAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1nc(N2CCOCC2)[nH+]c2c1CCN2)C(=O)[O-] ZINC001159598033 1068359529 /nfs/dbraw/zinc/35/95/29/1068359529.db2.gz UDEYNHKRBTVDMF-AWEZNQCLSA-N 1 0 430.469 -1.072 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598990 1068359837 /nfs/dbraw/zinc/35/98/37/1068359837.db2.gz IXKLBWRFHJPJOO-MGPQQGTHSA-N 1 0 438.485 -3.564 20 0 IAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599395 1068359592 /nfs/dbraw/zinc/35/95/92/1068359592.db2.gz LXPBZEKACVACEV-YLAKUSLOSA-N 1 0 449.533 -1.166 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599467 1068359493 /nfs/dbraw/zinc/35/94/93/1068359493.db2.gz MOYTXPPOFZZDNR-BYHHXJKWSA-N 1 0 435.525 -1.417 20 0 IAADRO NC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600119 1068359910 /nfs/dbraw/zinc/35/99/10/1068359910.db2.gz QTGDIZJJZWMBDI-RCJHGTSTSA-N 1 0 437.522 -1.052 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600621 1068359666 /nfs/dbraw/zinc/35/96/66/1068359666.db2.gz VWNSFAVUPCXZEU-TVWYGFFRSA-N 1 0 437.522 -1.183 20 0 IAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)C(=O)[O-] ZINC001159602498 1068359710 /nfs/dbraw/zinc/35/97/10/1068359710.db2.gz QAQNTLGQQNBOFQ-AWEZNQCLSA-N 1 0 430.469 -1.437 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CC2 ZINC001159609983 1068360408 /nfs/dbraw/zinc/36/04/08/1068360408.db2.gz LYGLARCUVDAMMX-UHFFFAOYSA-N 1 0 445.528 -1.189 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159622417 1068360620 /nfs/dbraw/zinc/36/06/20/1068360620.db2.gz JEJZIOFHHXQYLI-RPWDQDSNSA-N 1 0 445.520 -1.472 20 0 IAADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001159623473 1068360584 /nfs/dbraw/zinc/36/05/84/1068360584.db2.gz SPRIFWRFMKVKRP-DZKIICNBSA-N 1 0 446.570 -1.368 20 0 IAADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001159623474 1068360825 /nfs/dbraw/zinc/36/08/25/1068360825.db2.gz SPRIFWRFMKVKRP-LZWOXQAQSA-N 1 0 446.570 -1.368 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21)C(N)=O ZINC001159624455 1068360890 /nfs/dbraw/zinc/36/08/90/1068360890.db2.gz JIDCJCUUFDWDSR-NJVJYBDUSA-N 1 0 425.486 -1.604 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1)C(N)=O ZINC001159632998 1068360854 /nfs/dbraw/zinc/36/08/54/1068360854.db2.gz DYSWFFICZLKPMP-DZGCQCFKSA-N 1 0 444.496 -1.682 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 ZINC001159633799 1068360915 /nfs/dbraw/zinc/36/09/15/1068360915.db2.gz RIVNSGRVYFUZOM-JSGCOSHPSA-N 1 0 430.469 -2.072 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159635002 1068361547 /nfs/dbraw/zinc/36/15/47/1068361547.db2.gz GBAYTRQSHLEHEP-HNNXBMFYSA-N 1 0 432.506 -1.003 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159635005 1068361509 /nfs/dbraw/zinc/36/15/09/1068361509.db2.gz GBAYTRQSHLEHEP-OAHLLOKOSA-N 1 0 432.506 -1.003 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159642783 1068361465 /nfs/dbraw/zinc/36/14/65/1068361465.db2.gz GXXPUYOJTVJULL-FXAWDEMLSA-N 1 0 428.493 -1.422 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159642785 1068361275 /nfs/dbraw/zinc/36/12/75/1068361275.db2.gz GXXPUYOJTVJULL-PXNSSMCTSA-N 1 0 428.493 -1.422 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159642788 1068361241 /nfs/dbraw/zinc/36/12/41/1068361241.db2.gz GXXPUYOJTVJULL-XLIONFOSSA-N 1 0 428.493 -1.422 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159642789 1068361478 /nfs/dbraw/zinc/36/14/78/1068361478.db2.gz GXXPUYOJTVJULL-YLJYHZDGSA-N 1 0 428.493 -1.422 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642866 1068361496 /nfs/dbraw/zinc/36/14/96/1068361496.db2.gz IBKQXGDQTXAWOB-RDJZCZTQSA-N 1 0 442.524 -1.033 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643521 1068361423 /nfs/dbraw/zinc/36/14/23/1068361423.db2.gz NFZCZFLMURZVTQ-UHFFFAOYSA-N 1 0 445.484 -3.180 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159643698 1068361411 /nfs/dbraw/zinc/36/14/11/1068361411.db2.gz ORUVJQREWDZULR-GHTZIAJQSA-N 1 0 426.477 -1.274 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159643699 1068361538 /nfs/dbraw/zinc/36/15/38/1068361538.db2.gz ORUVJQREWDZULR-NQIIRXRSSA-N 1 0 426.477 -1.274 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159643700 1068361574 /nfs/dbraw/zinc/36/15/74/1068361574.db2.gz ORUVJQREWDZULR-RXVVDRJESA-N 1 0 426.477 -1.274 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159643701 1068361396 /nfs/dbraw/zinc/36/13/96/1068361396.db2.gz ORUVJQREWDZULR-WIYYLYMNSA-N 1 0 426.477 -1.274 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159652478 1068361369 /nfs/dbraw/zinc/36/13/69/1068361369.db2.gz DJTHRALXEMWKKV-RISOHXOYSA-N 1 0 432.481 -1.928 20 0 IAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001159652479 1068361446 /nfs/dbraw/zinc/36/14/46/1068361446.db2.gz DJTHRALXEMWKKV-ZSOFBXJNSA-N 1 0 432.481 -1.928 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159653624 1068362166 /nfs/dbraw/zinc/36/21/66/1068362166.db2.gz FMESPFHLGILJLY-HNNXBMFYSA-N 1 0 435.506 -1.022 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159653625 1068361925 /nfs/dbraw/zinc/36/19/25/1068361925.db2.gz FMESPFHLGILJLY-OAHLLOKOSA-N 1 0 435.506 -1.022 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654689 1068361738 /nfs/dbraw/zinc/36/17/38/1068361738.db2.gz NHVVWXGCBSJKEA-UHFFFAOYSA-N 1 0 426.499 -1.579 20 0 IAADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159663071 1068362230 /nfs/dbraw/zinc/36/22/30/1068362230.db2.gz DEHADZUNPOSXFL-UHFFFAOYSA-N 1 0 437.526 -1.286 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663422 1068362148 /nfs/dbraw/zinc/36/21/48/1068362148.db2.gz INTUISPQJDKNCU-JSGCOSHPSA-N 1 0 444.496 -1.799 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2)C(N)=O ZINC001159664428 1068362022 /nfs/dbraw/zinc/36/20/22/1068362022.db2.gz DQPVFAYHSRTSAW-DZGCQCFKSA-N 1 0 447.496 -1.702 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159664469 1068362216 /nfs/dbraw/zinc/36/22/16/1068362216.db2.gz DZEBZOFFEIWMNC-JSGCOSHPSA-N 1 0 433.469 -2.092 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159678176 1068361984 /nfs/dbraw/zinc/36/19/84/1068361984.db2.gz UAYMDEKGSSXQOA-KNCOVGOOSA-N 1 0 435.481 -1.324 20 0 IAADRO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]32)C1=O ZINC001159688508 1068362052 /nfs/dbraw/zinc/36/20/52/1068362052.db2.gz SGEWWFMETIFHSC-LAPQFRIASA-N 1 0 449.512 -2.819 20 0 IAADRO C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001159697049 1068362122 /nfs/dbraw/zinc/36/21/22/1068362122.db2.gz LTNMSETVODVJDC-CYBMUJFWSA-N 1 0 449.512 -1.980 20 0 IAADRO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001159697051 1068362671 /nfs/dbraw/zinc/36/26/71/1068362671.db2.gz LTNMSETVODVJDC-ZDUSSCGKSA-N 1 0 449.512 -1.980 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159714010 1068362733 /nfs/dbraw/zinc/36/27/33/1068362733.db2.gz VGLKITKEWPJGFV-AORAQPTISA-N 1 0 447.496 -2.080 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159714011 1068362910 /nfs/dbraw/zinc/36/29/10/1068362910.db2.gz VGLKITKEWPJGFV-KKBGWUFQSA-N 1 0 447.496 -2.080 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159714012 1068362844 /nfs/dbraw/zinc/36/28/44/1068362844.db2.gz VGLKITKEWPJGFV-QKNJOQAUSA-N 1 0 447.496 -2.080 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159714013 1068362582 /nfs/dbraw/zinc/36/25/82/1068362582.db2.gz VGLKITKEWPJGFV-XWRNYUAZSA-N 1 0 447.496 -2.080 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159715183 1068362783 /nfs/dbraw/zinc/36/27/83/1068362783.db2.gz XZWHAUYDXSZGCY-FRFSOERESA-N 1 0 440.526 -1.567 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159715186 1068362883 /nfs/dbraw/zinc/36/28/83/1068362883.db2.gz XZWHAUYDXSZGCY-JLJPHGGASA-N 1 0 440.526 -1.567 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159715188 1068362898 /nfs/dbraw/zinc/36/28/98/1068362898.db2.gz XZWHAUYDXSZGCY-UKPHBRMFSA-N 1 0 440.526 -1.567 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159715190 1068362743 /nfs/dbraw/zinc/36/27/43/1068362743.db2.gz XZWHAUYDXSZGCY-YSVLISHTSA-N 1 0 440.526 -1.567 20 0 IAADRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccnnc1 ZINC001159715583 1068362791 /nfs/dbraw/zinc/36/27/91/1068362791.db2.gz YYZZJZJOIMIRIL-LLLHUVSDSA-N 1 0 449.533 -1.011 20 0 IAADRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccnnc1 ZINC001159715584 1068362863 /nfs/dbraw/zinc/36/28/63/1068362863.db2.gz YYZZJZJOIMIRIL-QMCVQRASSA-N 1 0 449.533 -1.011 20 0 IAADRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccnnc1 ZINC001159715585 1068362549 /nfs/dbraw/zinc/36/25/49/1068362549.db2.gz YYZZJZJOIMIRIL-RKTXRCNFSA-N 1 0 449.533 -1.011 20 0 IAADRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)c1ccnnc1 ZINC001159715586 1068362717 /nfs/dbraw/zinc/36/27/17/1068362717.db2.gz YYZZJZJOIMIRIL-SVGFKBNWSA-N 1 0 449.533 -1.011 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159724576 1068362811 /nfs/dbraw/zinc/36/28/11/1068362811.db2.gz SMZGQIYVQFAGGB-IHRRRGAJSA-N 1 0 442.480 -1.095 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159724577 1068362619 /nfs/dbraw/zinc/36/26/19/1068362619.db2.gz SMZGQIYVQFAGGB-MELADBBJSA-N 1 0 442.480 -1.095 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159736536 1068362689 /nfs/dbraw/zinc/36/26/89/1068362689.db2.gz FSLPYAOSKHXZEQ-YYQBIWNASA-N 1 0 439.513 -2.192 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159736901 1068363661 /nfs/dbraw/zinc/36/36/61/1068363661.db2.gz HYYPMMIRFYJBEG-QAPCUYQASA-N 1 0 432.543 -1.679 20 0 IAADRO O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2)N1CCCC1 ZINC001159737040 1068363576 /nfs/dbraw/zinc/36/35/76/1068363576.db2.gz IVWSRMVUQAPNEV-GJYPPUQNSA-N 1 0 441.550 -1.123 20 0 IAADRO O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2)N1CCCC1 ZINC001159737043 1068363434 /nfs/dbraw/zinc/36/34/34/1068363434.db2.gz IVWSRMVUQAPNEV-MDZRGWNJSA-N 1 0 441.550 -1.123 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159745940 1068363525 /nfs/dbraw/zinc/36/35/25/1068363525.db2.gz FQCSQLRBRCPKCC-QWHCGFSZSA-N 1 0 436.494 -2.238 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159746570 1068363597 /nfs/dbraw/zinc/36/35/97/1068363597.db2.gz QTKYGXFMJFMSII-QSPRXWTASA-N 1 0 431.493 -1.307 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746990 1068363217 /nfs/dbraw/zinc/36/32/17/1068363217.db2.gz KVZHROYWNMXBPV-MSLCTRMTSA-N 1 0 449.552 -1.025 20 0 IAADRO Cn1cc(N2C[C@@]3(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C3)CC2=O)cn1 ZINC001159751619 1068363457 /nfs/dbraw/zinc/36/34/57/1068363457.db2.gz ULXCRUUHGUUBHD-IBGZPJMESA-N 1 0 448.484 -3.317 20 0 IAADRO Cn1cc(N2C[C@]3(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C3)CC2=O)cn1 ZINC001159751620 1068363341 /nfs/dbraw/zinc/36/33/41/1068363341.db2.gz ULXCRUUHGUUBHD-LJQANCHMSA-N 1 0 448.484 -3.317 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1)C(N)=O ZINC001159752061 1068363625 /nfs/dbraw/zinc/36/36/25/1068363625.db2.gz VLNHASOTVZWTGC-AEAUEXCSSA-N 1 0 435.456 -1.134 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159758699 1068363393 /nfs/dbraw/zinc/36/33/93/1068363393.db2.gz QLRFRNFMVVMACH-HTZUNMPGSA-N 1 0 445.524 -1.170 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159758700 1068363373 /nfs/dbraw/zinc/36/33/73/1068363373.db2.gz QLRFRNFMVVMACH-WDUKFBBWSA-N 1 0 445.524 -1.170 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1)C(N)=O ZINC001159766121 1068363412 /nfs/dbraw/zinc/36/34/12/1068363412.db2.gz XQONWIQICNPUEQ-BYHHXJKWSA-N 1 0 437.541 -1.279 20 0 IAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]21)N1CCOCC1 ZINC001159767720 1068363473 /nfs/dbraw/zinc/36/34/73/1068363473.db2.gz KBRVUYKTFAADBP-NCOADZHNSA-N 1 0 441.550 -1.267 20 0 IAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]21)N1CCOCC1 ZINC001159767721 1068363314 /nfs/dbraw/zinc/36/33/14/1068363314.db2.gz KBRVUYKTFAADBP-WCXIOVBPSA-N 1 0 441.550 -1.267 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767729 1068363648 /nfs/dbraw/zinc/36/36/48/1068363648.db2.gz KIVUHDRITWZCPT-OAGGEKHMSA-N 1 0 432.543 -1.823 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767764 1068363246 /nfs/dbraw/zinc/36/32/46/1068363246.db2.gz LRSHARMEYOHZBB-OTJKEOIZSA-N 1 0 439.513 -2.336 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769859 1068364100 /nfs/dbraw/zinc/36/41/00/1068364100.db2.gz PQUBWPKITQRRNW-RDDKANTKSA-N 1 0 435.525 -1.275 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159771014 1068364185 /nfs/dbraw/zinc/36/41/85/1068364185.db2.gz YBCYUTCWOQLEFL-MCIONIFRSA-N 1 0 438.485 -3.422 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790588 1068364240 /nfs/dbraw/zinc/36/42/40/1068364240.db2.gz HXYRSVGXZHGRCH-JSGCOSHPSA-N 1 0 446.464 -1.677 20 0 IAADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CCC2)c1ccco1 ZINC001159790976 1068364083 /nfs/dbraw/zinc/36/40/83/1068364083.db2.gz RGFODHMKETZKEH-GOSISDBHSA-N 1 0 440.460 -1.023 20 0 IAADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CCC2)c1ccco1 ZINC001159790977 1068364276 /nfs/dbraw/zinc/36/42/76/1068364276.db2.gz RGFODHMKETZKEH-SFHVURJKSA-N 1 0 440.460 -1.023 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159799669 1068364261 /nfs/dbraw/zinc/36/42/61/1068364261.db2.gz STFMMUXWBXSCGY-AWEZNQCLSA-N 1 0 445.484 -2.955 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159799675 1068363876 /nfs/dbraw/zinc/36/38/76/1068363876.db2.gz STFMMUXWBXSCGY-CQSZACIVSA-N 1 0 445.484 -2.955 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001159810571 1068363918 /nfs/dbraw/zinc/36/39/18/1068363918.db2.gz GXAXGDNDDXOLDV-RYSHRAHSSA-N 1 0 446.508 -1.587 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001159810961 1068364314 /nfs/dbraw/zinc/36/43/14/1068364314.db2.gz SAPHUAWXVWQGAT-VQIMIIECSA-N 1 0 439.538 -1.074 20 0 IAADRO CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159846137 1068363953 /nfs/dbraw/zinc/36/39/53/1068363953.db2.gz UBWYZASDBOQISL-KKUMJFAQSA-N 1 0 425.530 -1.136 20 0 IAADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159846138 1068364128 /nfs/dbraw/zinc/36/41/28/1068364128.db2.gz UBWYZASDBOQISL-SOUVJXGZSA-N 1 0 425.530 -1.136 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1)C(=O)CF ZINC001159886888 1068364155 /nfs/dbraw/zinc/36/41/55/1068364155.db2.gz PKIFFTXFKUVIHU-WLZFUECHSA-N 1 0 441.504 -1.566 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C(N)=O ZINC001159886962 1068364290 /nfs/dbraw/zinc/36/42/90/1068364290.db2.gz RJHVTYCHZOWXJW-BXTJHSDWSA-N 1 0 433.513 -1.228 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C(N)=O ZINC001159886963 1068364049 /nfs/dbraw/zinc/36/40/49/1068364049.db2.gz RJHVTYCHZOWXJW-MDOVXXIYSA-N 1 0 433.513 -1.228 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159904951 1068364014 /nfs/dbraw/zinc/36/40/14/1068364014.db2.gz ISHGMTGQQISUFR-QRWLVFNGSA-N 1 0 448.480 -2.472 20 0 IAADRO COCCN1CCO[C@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@H]2C1=O ZINC001159917230 1068364660 /nfs/dbraw/zinc/36/46/60/1068364660.db2.gz FVSRXCCZLOQKFN-YJNKXOJESA-N 1 0 427.502 -2.194 20 0 IAADRO COCCN1CCO[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC[C@H]2C1=O ZINC001159917633 1068364931 /nfs/dbraw/zinc/36/49/31/1068364931.db2.gz JCVAPEHIHRLIND-PMPSAXMXSA-N 1 0 428.530 -1.033 20 0 IAADRO COCCN1CCO[C@H]2CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)CC[C@H]2C1=O ZINC001159917659 1068364812 /nfs/dbraw/zinc/36/48/12/1068364812.db2.gz JOHDUQCAGVZHIF-OAGGEKHMSA-N 1 0 433.513 -1.354 20 0 IAADRO COCCN1CCO[C@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)CC[C@H]2C1=O ZINC001159917661 1068364799 /nfs/dbraw/zinc/36/47/99/1068364799.db2.gz JOHDUQCAGVZHIF-PMPSAXMXSA-N 1 0 433.513 -1.354 20 0 IAADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159929519 1068364691 /nfs/dbraw/zinc/36/46/91/1068364691.db2.gz GHBMAZLIWXQPGC-HOTGVXAUSA-N 1 0 445.480 -1.991 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159940037 1068364886 /nfs/dbraw/zinc/36/48/86/1068364886.db2.gz PQFBNYRBIOYSMY-UHFFFAOYSA-N 1 0 434.453 -2.806 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)COCCN2Cc1ccn(C)n1)C(N)=O ZINC001159961430 1068364765 /nfs/dbraw/zinc/36/47/65/1068364765.db2.gz IOQRHDITKVQHAI-DOTOQJQBSA-N 1 0 449.556 -1.289 20 0 IAADRO Cn1ccc(CN2CCOCC23CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC3)n1 ZINC001159962632 1068364603 /nfs/dbraw/zinc/36/46/03/1068364603.db2.gz TZTAFBNZZYHOQR-UHFFFAOYSA-N 1 0 428.559 -1.166 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001159963009 1068364947 /nfs/dbraw/zinc/36/49/47/1068364947.db2.gz WCWHNZWXRBOCJH-HOCLYGCPSA-N 1 0 435.529 -1.679 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159980294 1068364851 /nfs/dbraw/zinc/36/48/51/1068364851.db2.gz LHOMKCRIVSRPNJ-QAPCUYQASA-N 1 0 432.543 -1.394 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159980338 1068364862 /nfs/dbraw/zinc/36/48/62/1068364862.db2.gz MUOJWSYAPSLKSG-UHFFFAOYSA-N 1 0 445.484 -2.833 20 0 IAADRO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C[C@H]21 ZINC001159987950 1068364542 /nfs/dbraw/zinc/36/45/42/1068364542.db2.gz QMIRLTVGLOMCFK-QYHDQYMBSA-N 1 0 436.513 -1.199 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159988010 1068364623 /nfs/dbraw/zinc/36/46/23/1068364623.db2.gz RBKDCROYVNIIKM-YYQBIWNASA-N 1 0 439.513 -1.907 20 0 IAADRO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2C1 ZINC001159998190 1068365720 /nfs/dbraw/zinc/36/57/20/1068365720.db2.gz FFKCWWLHPARZLG-NEPJUHHUSA-N 1 0 432.503 -3.824 20 0 IAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]2C1 ZINC001159998928 1068365476 /nfs/dbraw/zinc/36/54/76/1068365476.db2.gz PASHEJGTRWBEDY-ILXRZTDVSA-N 1 0 438.558 -1.489 20 0 IAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]2C1 ZINC001159998929 1068365259 /nfs/dbraw/zinc/36/52/59/1068365259.db2.gz PASHEJGTRWBEDY-QLFBSQMISA-N 1 0 438.558 -1.489 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159999363 1068365676 /nfs/dbraw/zinc/36/56/76/1068365676.db2.gz QHCMIHRTOOWWFT-RDJZCZTQSA-N 1 0 444.536 -1.313 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159999398 1068365376 /nfs/dbraw/zinc/36/53/76/1068365376.db2.gz RHONWCCXJVZDDA-XGUBFFRZSA-N 1 0 429.543 -1.677 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1)C(N)=O ZINC001160007205 1068365512 /nfs/dbraw/zinc/36/55/12/1068365512.db2.gz FFFMHUPQTQGUFV-RFQIPJPRSA-N 1 0 432.547 -2.329 20 0 IAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001160007573 1068365542 /nfs/dbraw/zinc/36/55/42/1068365542.db2.gz LXBSCTUNJZBQBJ-OWCLPIDISA-N 1 0 448.611 -1.013 20 0 IAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001160007574 1068365577 /nfs/dbraw/zinc/36/55/77/1068365577.db2.gz LXBSCTUNJZBQBJ-PMPSAXMXSA-N 1 0 448.611 -1.013 20 0 IAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)COC1(C)C ZINC001160007938 1068365438 /nfs/dbraw/zinc/36/54/38/1068365438.db2.gz RDSGRFDDSWWAMS-XGUBFFRZSA-N 1 0 431.559 -1.116 20 0 IAADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001160008026 1068365614 /nfs/dbraw/zinc/36/56/14/1068365614.db2.gz UCOMETWOUYMCQA-ILXRZTDVSA-N 1 0 433.575 -1.168 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160016051 1068365287 /nfs/dbraw/zinc/36/52/87/1068365287.db2.gz FMYAYACTMSMCHD-WHOFXGATSA-N 1 0 431.540 -1.148 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017327 1068365590 /nfs/dbraw/zinc/36/55/90/1068365590.db2.gz RYDCNWVJAZUJDV-SFUXALCOSA-N 1 0 438.510 -1.661 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018063 1068365641 /nfs/dbraw/zinc/36/56/41/1068365641.db2.gz FWRLPOJCBFMWIE-HOCLYGCPSA-N 1 0 446.508 -1.491 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001160027272 1068365239 /nfs/dbraw/zinc/36/52/39/1068365239.db2.gz SJWHOMWPPZRJFJ-YESZJQIVSA-N 1 0 439.538 -1.105 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001160032784 1068365410 /nfs/dbraw/zinc/36/54/10/1068365410.db2.gz UKOVLZGZFRMOCN-JVNPIMRCSA-N 1 0 446.508 -1.618 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2)C(N)=O ZINC001160050181 1068365313 /nfs/dbraw/zinc/36/53/13/1068365313.db2.gz SWAYREXRAYLQDO-FGBSKUFISA-N 1 0 426.518 -1.495 20 0 IAADRO COC[C@H]1COCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001160061017 1068366419 /nfs/dbraw/zinc/36/64/19/1068366419.db2.gz ZLODSCDCQKGVCL-AWEZNQCLSA-N 1 0 427.502 -2.415 20 0 IAADRO COC[C@@H]1COCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001160061024 1068366276 /nfs/dbraw/zinc/36/62/76/1068366276.db2.gz ZLODSCDCQKGVCL-CQSZACIVSA-N 1 0 427.502 -2.415 20 0 IAADRO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2COC[C@H]12 ZINC001160084969 1068366309 /nfs/dbraw/zinc/36/63/09/1068366309.db2.gz GVEPFKSEYHBIBU-JYYAWHABSA-N 1 0 440.508 -1.082 20 0 IAADRO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2COC[C@H]12 ZINC001160084970 1068366349 /nfs/dbraw/zinc/36/63/49/1068366349.db2.gz GVEPFKSEYHBIBU-KCYZZUKISA-N 1 0 440.508 -1.082 20 0 IAADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[C@@H]32)cn1 ZINC001160085575 1068366525 /nfs/dbraw/zinc/36/65/25/1068366525.db2.gz MCTNCABKLBYNMD-HRCADAONSA-N 1 0 442.542 -1.766 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21)C(N)=O ZINC001160086508 1068366452 /nfs/dbraw/zinc/36/64/52/1068366452.db2.gz XETCTDCHZABBQY-UTHRFFRBSA-N 1 0 434.497 -1.922 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ncccc3C(=O)N3CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088174 1068367288 /nfs/dbraw/zinc/36/72/88/1068367288.db2.gz QAMJCXMFSWOZRP-SCFUHWHPSA-N 1 0 431.453 -2.161 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc(OCC4CC[NH2+]CC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093013 1068366836 /nfs/dbraw/zinc/36/68/36/1068366836.db2.gz QBXCQUQHYKZRMY-BDQAWRDZSA-N 1 0 433.469 -1.433 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100847 1068367897 /nfs/dbraw/zinc/36/78/97/1068367897.db2.gz AYPWDTDJVRMYAV-HNNXBMFYSA-N 1 0 432.543 -1.537 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100848 1068367588 /nfs/dbraw/zinc/36/75/88/1068367588.db2.gz AYPWDTDJVRMYAV-OAHLLOKOSA-N 1 0 432.543 -1.537 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160105882 1068367850 /nfs/dbraw/zinc/36/78/50/1068367850.db2.gz VIIYKJNMAAXZMB-KKUMJFAQSA-N 1 0 439.513 -2.050 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160105883 1068367635 /nfs/dbraw/zinc/36/76/35/1068367635.db2.gz VIIYKJNMAAXZMB-ZNMIVQPWSA-N 1 0 439.513 -2.050 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160109152 1068368069 /nfs/dbraw/zinc/36/80/69/1068368069.db2.gz BNPQZKCXLPEJRN-AAEUAGOBSA-N 1 0 436.494 -2.523 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160120596 1068368036 /nfs/dbraw/zinc/36/80/36/1068368036.db2.gz SKTLBLHXJSRVAJ-QWHCGFSZSA-N 1 0 434.453 -2.740 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160128080 1068367691 /nfs/dbraw/zinc/36/76/91/1068367691.db2.gz LKVOEVZMAGNHFA-UHFFFAOYSA-N 1 0 432.441 -2.889 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001160147377 1068367825 /nfs/dbraw/zinc/36/78/25/1068367825.db2.gz GDDHKNWJEUDTDP-RDDKANTKSA-N 1 0 446.508 -1.494 20 0 IAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160171334 1068367801 /nfs/dbraw/zinc/36/78/01/1068367801.db2.gz KKYHOPAEQXPDRR-KRWDZBQOSA-N 1 0 425.446 -4.757 20 0 IAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160171335 1068367748 /nfs/dbraw/zinc/36/77/48/1068367748.db2.gz KKYHOPAEQXPDRR-QGZVFWFLSA-N 1 0 425.446 -4.757 20 0 IAADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]21 ZINC001160172367 1068368794 /nfs/dbraw/zinc/36/87/94/1068368794.db2.gz DFEMIRFDEOUYLO-OBCVZTRHSA-N 1 0 433.513 -1.572 20 0 IAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160172727 1068368756 /nfs/dbraw/zinc/36/87/56/1068368756.db2.gz DWFISOQRVQEDAI-FIKGOQFSSA-N 1 0 447.492 -2.312 20 0 IAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160172728 1068368639 /nfs/dbraw/zinc/36/86/39/1068368639.db2.gz DWFISOQRVQEDAI-XGHQBKJUSA-N 1 0 447.492 -2.312 20 0 IAADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]21 ZINC001160173185 1068368604 /nfs/dbraw/zinc/36/86/04/1068368604.db2.gz IOJXCPGBVOUKTC-JWYNJWGYSA-N 1 0 447.540 -1.182 20 0 IAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)C2 ZINC001160173664 1068368497 /nfs/dbraw/zinc/36/84/97/1068368497.db2.gz NEDMUFKIMMNUEX-JXFKEZNVSA-N 1 0 427.465 -1.047 20 0 IAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)C2 ZINC001160173665 1068368727 /nfs/dbraw/zinc/36/87/27/1068368727.db2.gz NEDMUFKIMMNUEX-OXJNMPFZSA-N 1 0 427.465 -1.047 20 0 IAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)C2 ZINC001160173666 1068368807 /nfs/dbraw/zinc/36/88/07/1068368807.db2.gz NEDMUFKIMMNUEX-OXQOHEQNSA-N 1 0 427.465 -1.047 20 0 IAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)C2 ZINC001160173667 1068368703 /nfs/dbraw/zinc/36/87/03/1068368703.db2.gz NEDMUFKIMMNUEX-UZLBHIALSA-N 1 0 427.465 -1.047 20 0 IAADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[C@@H]21 ZINC001160174199 1068368822 /nfs/dbraw/zinc/36/88/22/1068368822.db2.gz RPHGONQZJMDVTH-IKGGRYGDSA-N 1 0 426.543 -1.059 20 0 IAADRO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCO2 ZINC001160178000 1068368659 /nfs/dbraw/zinc/36/86/59/1068368659.db2.gz DLTXPBVDHFLTER-GOSISDBHSA-N 1 0 426.474 -3.466 20 0 IAADRO CC(=O)N1CCC[C@]2(C1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCO2 ZINC001160178009 1068368464 /nfs/dbraw/zinc/36/84/64/1068368464.db2.gz DLTXPBVDHFLTER-SFHVURJKSA-N 1 0 426.474 -3.466 20 0 IAADRO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCO2 ZINC001160178607 1068368832 /nfs/dbraw/zinc/36/88/32/1068368832.db2.gz HMKZFNZEEORPLR-CNNODRBYSA-N 1 0 448.520 -1.021 20 0 IAADRO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCO2 ZINC001160178608 1068368434 /nfs/dbraw/zinc/36/84/34/1068368434.db2.gz HMKZFNZEEORPLR-IPJJNNNSSA-N 1 0 448.520 -1.021 20 0 IAADRO CC(C)C(=O)N1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001160191327 1068368588 /nfs/dbraw/zinc/36/85/88/1068368588.db2.gz JZQPFUCWVYOYKR-GOSISDBHSA-N 1 0 431.559 -1.428 20 0 IAADRO CC(C)C(=O)N1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191328 1068368746 /nfs/dbraw/zinc/36/87/46/1068368746.db2.gz JZQPFUCWVYOYKR-SFHVURJKSA-N 1 0 431.559 -1.428 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160192584 1068368383 /nfs/dbraw/zinc/36/83/83/1068368383.db2.gz YSAXWJLEDBDJAJ-ZSOGYDGISA-N 1 0 436.513 -2.553 20 0 IAADRO CC(C)C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001160193315 1068368682 /nfs/dbraw/zinc/36/86/82/1068368682.db2.gz NFFSFNFKHTYPAT-PJSUUKDQSA-N 1 0 438.529 -1.941 20 0 IAADRO CC(C)C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001160193316 1068368558 /nfs/dbraw/zinc/36/85/58/1068368558.db2.gz NFFSFNFKHTYPAT-YRVVQQKDSA-N 1 0 438.529 -1.941 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160194736 1068368526 /nfs/dbraw/zinc/36/85/26/1068368526.db2.gz XGYZYPYWNSUKPX-UHFFFAOYSA-N 1 0 446.472 -3.438 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001160202861 1068368776 /nfs/dbraw/zinc/36/87/76/1068368776.db2.gz NOCNAXMKYOHBQP-VIRABCJISA-N 1 0 437.522 -1.284 20 0 IAADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC001160210165 1068369271 /nfs/dbraw/zinc/36/92/71/1068369271.db2.gz BZRXVLBDUSJGTM-BYNSBNAKSA-N 1 0 437.522 -1.315 20 0 IAADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC001160210166 1068369451 /nfs/dbraw/zinc/36/94/51/1068369451.db2.gz BZRXVLBDUSJGTM-LXTVHRRPSA-N 1 0 437.522 -1.315 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21)C(N)=O ZINC001160210175 1068369413 /nfs/dbraw/zinc/36/94/13/1068369413.db2.gz CJIBMAWJJUZGCN-OJKRMQCYSA-N 1 0 449.512 -1.994 20 0 IAADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2CCCO[C@@H]21 ZINC001160212824 1068369183 /nfs/dbraw/zinc/36/91/83/1068369183.db2.gz RNJRUSBEBUOSQI-GZBFAFLISA-N 1 0 428.515 -1.871 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1 ZINC001160216853 1068369354 /nfs/dbraw/zinc/36/93/54/1068369354.db2.gz IGICKHHXWDDSKW-SDADXPQNSA-N 1 0 431.497 -1.704 20 0 IAADRO Cn1cc(N2C[C@@H]3CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]3C2=O)cn1 ZINC001160218643 1068369301 /nfs/dbraw/zinc/36/93/01/1068369301.db2.gz RDESTAUQFALPPZ-AAEUAGOBSA-N 1 0 434.457 -3.851 20 0 IAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001160266036 1068369023 /nfs/dbraw/zinc/36/90/23/1068369023.db2.gz HIPXKKJJMUZTCS-INIZCTEOSA-N 1 0 429.521 -1.021 20 0 IAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001160266037 1068369202 /nfs/dbraw/zinc/36/92/02/1068369202.db2.gz HIPXKKJJMUZTCS-MRXNPFEDSA-N 1 0 429.521 -1.021 20 0 IAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001160267247 1068369437 /nfs/dbraw/zinc/36/94/37/1068369437.db2.gz PGOPJSIGIWGVNJ-UHFFFAOYSA-N 1 0 427.527 -1.916 20 0 IAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001160267858 1068369148 /nfs/dbraw/zinc/36/91/48/1068369148.db2.gz VZQMTULEYZKQHT-HNNXBMFYSA-N 1 0 436.534 -1.360 20 0 IAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001160267859 1068369329 /nfs/dbraw/zinc/36/93/29/1068369329.db2.gz VZQMTULEYZKQHT-OAHLLOKOSA-N 1 0 436.534 -1.360 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001160268166 1068368981 /nfs/dbraw/zinc/36/89/81/1068368981.db2.gz ZOJVFFXFDAMLDW-JSGCOSHPSA-N 1 0 434.497 -2.429 20 0 IAADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001160269767 1068369044 /nfs/dbraw/zinc/36/90/44/1068369044.db2.gz AGUDLLGWRMVKLY-KKUMJFAQSA-N 1 0 425.530 -1.183 20 0 IAADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001160269770 1068369073 /nfs/dbraw/zinc/36/90/73/1068369073.db2.gz AGUDLLGWRMVKLY-ZNMIVQPWSA-N 1 0 425.530 -1.183 20 0 IAADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2C1 ZINC001160294399 1068369980 /nfs/dbraw/zinc/36/99/80/1068369980.db2.gz BPKSSBOEIYHBIG-BFHYXJOUSA-N 1 0 440.501 -3.176 20 0 IAADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])[C@@H]2C1 ZINC001160295112 1068369725 /nfs/dbraw/zinc/36/97/25/1068369725.db2.gz KEUXMNLLCWWQPN-SMLCLMEVSA-N 1 0 437.541 -1.029 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300485 1068369846 /nfs/dbraw/zinc/36/98/46/1068369846.db2.gz PIWBJFNUHQJXAX-KPHUOKFYSA-N 1 0 432.481 -1.340 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300486 1068369948 /nfs/dbraw/zinc/36/99/48/1068369948.db2.gz PIWBJFNUHQJXAX-ZQGRQUNCSA-N 1 0 432.481 -1.340 20 0 IAADRO CC(=O)NCc1ncn2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC2 ZINC001160324126 1068369813 /nfs/dbraw/zinc/36/98/13/1068369813.db2.gz QGDRSBWQVDBTON-UHFFFAOYSA-N 1 0 436.473 -3.441 20 0 IAADRO COCCO[C@H]1CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]1Cc1cnn(C)c1 ZINC001160325539 1068369652 /nfs/dbraw/zinc/36/96/52/1068369652.db2.gz LLULWQOTHBYADD-ORQFMDKSSA-N 1 0 438.529 -1.307 20 0 IAADRO CC(=O)NCc1ncn2c1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CCC2 ZINC001160335604 1068369894 /nfs/dbraw/zinc/36/98/94/1068369894.db2.gz QAJUJDFBFPKVLJ-BBRMVZONSA-N 1 0 433.513 -1.294 20 0 IAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343514 1068369877 /nfs/dbraw/zinc/36/98/77/1068369877.db2.gz KQCJFVJURDLQQK-HOCLYGCPSA-N 1 0 426.481 -1.070 20 0 IAADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343515 1068369701 /nfs/dbraw/zinc/36/97/01/1068369701.db2.gz KQCJFVJURDLQQK-ZBFHGGJFSA-N 1 0 426.481 -1.070 20 0 IAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1)c1ccnnc1 ZINC001160343696 1068369747 /nfs/dbraw/zinc/36/97/47/1068369747.db2.gz MIWWLDWYZKGHJV-GDBMZVCRSA-N 1 0 426.481 -1.608 20 0 IAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1)c1ccnnc1 ZINC001160343698 1068369777 /nfs/dbraw/zinc/36/97/77/1068369777.db2.gz MIWWLDWYZKGHJV-GOEBONIOSA-N 1 0 426.481 -1.608 20 0 IAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)c1ccnnc1 ZINC001160343700 1068369926 /nfs/dbraw/zinc/36/99/26/1068369926.db2.gz MIWWLDWYZKGHJV-HOCLYGCPSA-N 1 0 426.481 -1.608 20 0 IAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)c1ccnnc1 ZINC001160343702 1068370712 /nfs/dbraw/zinc/37/07/12/1068370712.db2.gz MIWWLDWYZKGHJV-ZBFHGGJFSA-N 1 0 426.481 -1.608 20 0 IAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345164 1068370765 /nfs/dbraw/zinc/37/07/65/1068370765.db2.gz VXXVISBQBBMHDY-DZGCQCFKSA-N 1 0 429.485 -1.163 20 0 IAADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345165 1068370543 /nfs/dbraw/zinc/37/05/43/1068370543.db2.gz VXXVISBQBBMHDY-HIFRSBDPSA-N 1 0 429.485 -1.163 20 0 IAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345166 1068370289 /nfs/dbraw/zinc/37/02/89/1068370289.db2.gz VXXVISBQBBMHDY-UKRRQHHQSA-N 1 0 429.485 -1.163 20 0 IAADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345167 1068370648 /nfs/dbraw/zinc/37/06/48/1068370648.db2.gz VXXVISBQBBMHDY-ZFWWWQNUSA-N 1 0 429.485 -1.163 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345200 1068370595 /nfs/dbraw/zinc/37/05/95/1068370595.db2.gz WPAZDEAOJGATMZ-GUTXKFCHSA-N 1 0 430.469 -2.114 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345201 1068370443 /nfs/dbraw/zinc/37/04/43/1068370443.db2.gz WPAZDEAOJGATMZ-YDHLFZDLSA-N 1 0 430.469 -2.114 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352369 1068370681 /nfs/dbraw/zinc/37/06/81/1068370681.db2.gz DMTIQBKJTHWDDW-CKFHNAJUSA-N 1 0 435.485 -2.382 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352376 1068370479 /nfs/dbraw/zinc/37/04/79/1068370479.db2.gz DMTIQBKJTHWDDW-NJSLBKSFSA-N 1 0 435.485 -2.382 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354503 1068370468 /nfs/dbraw/zinc/37/04/68/1068370468.db2.gz UTGHQKASMPPEFR-KRWDZBQOSA-N 1 0 428.515 -1.869 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354510 1068370373 /nfs/dbraw/zinc/37/03/73/1068370373.db2.gz UTGHQKASMPPEFR-QGZVFWFLSA-N 1 0 428.515 -1.869 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)C(N)=O ZINC001160354978 1068370322 /nfs/dbraw/zinc/37/03/22/1068370322.db2.gz YBZRDKVQUNWNGZ-BXTJHSDWSA-N 1 0 449.512 -1.992 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2)C(N)=O ZINC001160354985 1068370392 /nfs/dbraw/zinc/37/03/92/1068370392.db2.gz YBZRDKVQUNWNGZ-MDOVXXIYSA-N 1 0 449.512 -1.992 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160357230 1068370518 /nfs/dbraw/zinc/37/05/18/1068370518.db2.gz IWOWTICRCPHORE-PJSUUKDQSA-N 1 0 435.481 -1.179 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160357231 1068371250 /nfs/dbraw/zinc/37/12/50/1068371250.db2.gz IWOWTICRCPHORE-YRVVQQKDSA-N 1 0 435.481 -1.179 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160359017 1068371532 /nfs/dbraw/zinc/37/15/32/1068371532.db2.gz WIKBCTYZLJFGAE-GWCFXTLKSA-N 1 0 429.437 -1.086 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001160370210 1068371560 /nfs/dbraw/zinc/37/15/60/1068371560.db2.gz FFIOGXGECKKREY-PCMMCCAGSA-N 1 0 448.499 -1.217 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001160370212 1068371279 /nfs/dbraw/zinc/37/12/79/1068371279.db2.gz FFIOGXGECKKREY-UYTHQXMGSA-N 1 0 448.499 -1.217 20 0 IAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)COC1(C)C ZINC001160380075 1068371308 /nfs/dbraw/zinc/37/13/08/1068371308.db2.gz AQWIYBBVXJPJDY-STQMWFEESA-N 1 0 437.501 -1.464 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001160380362 1068371393 /nfs/dbraw/zinc/37/13/93/1068371393.db2.gz DJYMNBAUOJMXJY-AWEZNQCLSA-N 1 0 443.512 -1.232 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001160380366 1068371102 /nfs/dbraw/zinc/37/11/02/1068371102.db2.gz DJYMNBAUOJMXJY-CQSZACIVSA-N 1 0 443.512 -1.232 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)C2 ZINC001160380368 1068371406 /nfs/dbraw/zinc/37/14/06/1068371406.db2.gz DKJGBKAYQFUYAE-HNNXBMFYSA-N 1 0 429.481 -1.106 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001160380442 1068371428 /nfs/dbraw/zinc/37/14/28/1068371428.db2.gz FOEMYBQHPPRYKM-GJZGRUSLSA-N 1 0 433.513 -1.032 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001160380781 1068371496 /nfs/dbraw/zinc/37/14/96/1068371496.db2.gz JOQOOMJZFROGHE-INIZCTEOSA-N 1 0 443.508 -1.089 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001160381056 1068371516 /nfs/dbraw/zinc/37/15/16/1068371516.db2.gz ODSCQDFOUUZOIV-INIZCTEOSA-N 1 0 443.508 -1.089 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1)C(N)=O ZINC001160381430 1068371480 /nfs/dbraw/zinc/37/14/80/1068371480.db2.gz UNYFKBKAWRZEFG-NWDGAFQWSA-N 1 0 438.489 -2.677 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2 ZINC001160381653 1068371594 /nfs/dbraw/zinc/37/15/94/1068371594.db2.gz XHLZYJFUNHFEEV-UHFFFAOYSA-N 1 0 429.485 -1.262 20 0 IAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160381709 1068371369 /nfs/dbraw/zinc/37/13/69/1068371369.db2.gz YOKNFWIUQQDGGO-ZDUSSCGKSA-N 1 0 439.517 -1.516 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160388974 1068371342 /nfs/dbraw/zinc/37/13/42/1068371342.db2.gz RZOHBGLGOXVEJQ-UVPYHEFZSA-N 1 0 439.513 -1.499 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21)C(N)=O ZINC001160399015 1068371454 /nfs/dbraw/zinc/37/14/54/1068371454.db2.gz MGXKNHOZAPOTLJ-YZVFDVFRSA-N 1 0 449.512 -1.994 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160399286 1068372172 /nfs/dbraw/zinc/37/21/72/1068372172.db2.gz QNGCDVYGUIOZLY-UHFFFAOYSA-N 1 0 440.526 -1.470 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001160399605 1068371846 /nfs/dbraw/zinc/37/18/46/1068371846.db2.gz SOFRQTIVRGZRQM-DOCVPZNWSA-N 1 0 435.485 -2.384 20 0 IAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400683 1068372241 /nfs/dbraw/zinc/37/22/41/1068372241.db2.gz BLDOSEKSQPVDPN-CAOSSQGBSA-N 1 0 437.522 -1.315 20 0 IAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400686 1068371810 /nfs/dbraw/zinc/37/18/10/1068371810.db2.gz BLDOSEKSQPVDPN-QKPAOTATSA-N 1 0 437.522 -1.315 20 0 IAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401392 1068372290 /nfs/dbraw/zinc/37/22/90/1068372290.db2.gz OJDIFTRPYSKBBZ-SQWLQELKSA-N 1 0 428.515 -1.871 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160401598 1068372056 /nfs/dbraw/zinc/37/20/56/1068372056.db2.gz UQOIRRTUBWRAOT-YCVVXREPSA-N 1 0 447.536 -1.182 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001160404414 1068372184 /nfs/dbraw/zinc/37/21/84/1068372184.db2.gz MVTMPPHMUDKUEW-AWEZNQCLSA-N 1 0 431.501 -1.293 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001160404416 1068371916 /nfs/dbraw/zinc/37/19/16/1068371916.db2.gz MVTMPPHMUDKUEW-CQSZACIVSA-N 1 0 431.501 -1.293 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160404488 1068372092 /nfs/dbraw/zinc/37/20/92/1068372092.db2.gz NYIOEVDXMJZUOQ-KBPBESRZSA-N 1 0 447.496 -1.982 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001160404662 1068372134 /nfs/dbraw/zinc/37/21/34/1068372134.db2.gz POTLAGBDIYBVIT-INIZCTEOSA-N 1 0 426.481 -1.591 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)CC2 ZINC001160404667 1068372205 /nfs/dbraw/zinc/37/22/05/1068372205.db2.gz POTLAGBDIYBVIT-MRXNPFEDSA-N 1 0 426.481 -1.591 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160405552 1068372260 /nfs/dbraw/zinc/37/22/60/1068372260.db2.gz ISNZZFWJGRHVBU-JSGCOSHPSA-N 1 0 432.485 -2.244 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001160405715 1068371949 /nfs/dbraw/zinc/37/19/49/1068371949.db2.gz YOKJGNVZQRURTB-HNNXBMFYSA-N 1 0 428.497 -1.738 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001160405718 1068372028 /nfs/dbraw/zinc/37/20/28/1068372028.db2.gz YOKJGNVZQRURTB-OAHLLOKOSA-N 1 0 428.497 -1.738 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001160405994 1068371895 /nfs/dbraw/zinc/37/18/95/1068371895.db2.gz NTMRDSVLCLTELC-HNNXBMFYSA-N 1 0 428.497 -1.201 20 0 IAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001160406803 1068372556 /nfs/dbraw/zinc/37/25/56/1068372556.db2.gz XAMQFSWOOBDOPO-HNNXBMFYSA-N 1 0 428.497 -1.119 20 0 IAADRO CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1)C(=O)N2 ZINC001160407759 1068372749 /nfs/dbraw/zinc/37/27/49/1068372749.db2.gz CBMTUAZBCPSMNV-NHYWBVRUSA-N 1 0 444.492 -1.434 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160414869 1068372594 /nfs/dbraw/zinc/37/25/94/1068372594.db2.gz FNHWPIJSTWLUDB-YXISZKLHSA-N 1 0 436.513 -1.244 20 0 IAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001160418672 1068372906 /nfs/dbraw/zinc/37/29/06/1068372906.db2.gz LUXXWLOAYAZMMI-BXTJHSDWSA-N 1 0 441.529 -1.804 20 0 IAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001160418673 1068372443 /nfs/dbraw/zinc/37/24/43/1068372443.db2.gz LUXXWLOAYAZMMI-MDOVXXIYSA-N 1 0 441.529 -1.804 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C(N)=O ZINC001160419450 1068372778 /nfs/dbraw/zinc/37/27/78/1068372778.db2.gz RRYOMNMUENHQPQ-AGKSTNPPSA-N 1 0 431.497 -1.080 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C(N)=O ZINC001160419451 1068372664 /nfs/dbraw/zinc/37/26/64/1068372664.db2.gz RRYOMNMUENHQPQ-XBHMSOGKSA-N 1 0 431.497 -1.080 20 0 IAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160419470 1068372631 /nfs/dbraw/zinc/37/26/31/1068372631.db2.gz RXSUYFPLYKYUTL-CKFHNAJUSA-N 1 0 427.502 -2.194 20 0 IAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160419471 1068372802 /nfs/dbraw/zinc/37/28/02/1068372802.db2.gz RXSUYFPLYKYUTL-NJSLBKSFSA-N 1 0 427.502 -2.194 20 0 IAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160420234 1068372404 /nfs/dbraw/zinc/37/24/04/1068372404.db2.gz ZTBDENGKJOUWOL-CRAIPNDOSA-N 1 0 429.539 -1.125 20 0 IAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160420235 1068372875 /nfs/dbraw/zinc/37/28/75/1068372875.db2.gz ZTBDENGKJOUWOL-MAUKXSAKSA-N 1 0 429.539 -1.125 20 0 IAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160420236 1068372939 /nfs/dbraw/zinc/37/29/39/1068372939.db2.gz ZTBDENGKJOUWOL-QAPCUYQASA-N 1 0 429.539 -1.125 20 0 IAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160420237 1068372693 /nfs/dbraw/zinc/37/26/93/1068372693.db2.gz ZTBDENGKJOUWOL-YJBOKZPZSA-N 1 0 429.539 -1.125 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420286 1068372482 /nfs/dbraw/zinc/37/24/82/1068372482.db2.gz ARVOVNWMPUAXFV-UHFFFAOYSA-N 1 0 448.455 -2.055 20 0 IAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC2)n1 ZINC001160429588 1068373365 /nfs/dbraw/zinc/37/33/65/1068373365.db2.gz WKADASSMYNRHGA-CYBMUJFWSA-N 1 0 425.511 -1.085 20 0 IAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC2)n1 ZINC001160429591 1068373477 /nfs/dbraw/zinc/37/34/77/1068373477.db2.gz WKADASSMYNRHGA-ZDUSSCGKSA-N 1 0 425.511 -1.085 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160431726 1068373390 /nfs/dbraw/zinc/37/33/90/1068373390.db2.gz BULGCMIOVXFGQO-GJZGRUSLSA-N 1 0 431.559 -1.511 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160431753 1068373220 /nfs/dbraw/zinc/37/32/20/1068373220.db2.gz DJDDULKJTSBECA-JYJNAYRXSA-N 1 0 445.586 -1.041 20 0 IAADRO COc1cc(OC)nc(CN2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)n1 ZINC001160432043 1068373342 /nfs/dbraw/zinc/37/33/42/1068373342.db2.gz LVAHGNXLEOONRN-QWHCGFSZSA-N 1 0 437.501 -1.765 20 0 IAADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)cc1 ZINC001160436959 1068373611 /nfs/dbraw/zinc/37/36/11/1068373611.db2.gz PNIBJDUMCKDKRU-ZFWWWQNUSA-N 1 0 425.511 -1.465 20 0 IAADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)cc1 ZINC001160437331 1068373285 /nfs/dbraw/zinc/37/32/85/1068373285.db2.gz SFIZPQHBIQUQRU-GOEBONIOSA-N 1 0 439.538 -1.075 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160443382 1068373407 /nfs/dbraw/zinc/37/34/07/1068373407.db2.gz IHZBKEXSOPUNAX-UHFFFAOYSA-N 1 0 444.492 -2.126 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1cccnc1)Cc1ccccn1 ZINC001160448408 1068373546 /nfs/dbraw/zinc/37/35/46/1068373546.db2.gz HTBSLIHSNBSDGG-UHFFFAOYSA-N 1 0 427.465 -1.687 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C(N)=O)CC1)C(=O)CF ZINC001160456680 1068373429 /nfs/dbraw/zinc/37/34/29/1068373429.db2.gz OPLVWTQMSVPXEQ-HUBLWGQQSA-N 1 0 430.481 -1.889 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001160462009 1068373645 /nfs/dbraw/zinc/37/36/45/1068373645.db2.gz ZPPIRMDHHLCXFN-UHFFFAOYSA-N 1 0 434.497 -2.483 20 0 IAADRO COc1ccccc1O[C@H]1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001160465323 1068373157 /nfs/dbraw/zinc/37/31/57/1068373157.db2.gz GOIQMCUSBQGEKQ-AWEZNQCLSA-N 1 0 435.481 -1.628 20 0 IAADRO COc1ccccc1O[C@@H]1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001160465325 1068373580 /nfs/dbraw/zinc/37/35/80/1068373580.db2.gz GOIQMCUSBQGEKQ-CQSZACIVSA-N 1 0 435.481 -1.628 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470960 1068373684 /nfs/dbraw/zinc/37/36/84/1068373684.db2.gz PCXYDHGMWGSCAV-HEHGZKQESA-N 1 0 433.465 -1.795 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470961 1068373087 /nfs/dbraw/zinc/37/30/87/1068373087.db2.gz PCXYDHGMWGSCAV-XEZPLFJOSA-N 1 0 433.465 -1.795 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C(N)=O ZINC001160471025 1068373507 /nfs/dbraw/zinc/37/35/07/1068373507.db2.gz QLAOXBAKUDOWQJ-JJRVBVJISA-N 1 0 447.492 -1.405 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(N)=O ZINC001160471028 1068373315 /nfs/dbraw/zinc/37/33/15/1068373315.db2.gz QLAOXBAKUDOWQJ-VBQJREDUSA-N 1 0 447.492 -1.405 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(C1)OCCO2)C(=O)CF ZINC001160471165 1068373123 /nfs/dbraw/zinc/37/31/23/1068373123.db2.gz RAHXIJUNYQRSAK-XEZPLFJOSA-N 1 0 430.477 -1.137 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001160474968 1068373258 /nfs/dbraw/zinc/37/32/58/1068373258.db2.gz LBVVEWNXSXBFAD-UHFFFAOYSA-N 1 0 438.916 -1.709 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCNC(=O)C1(C)C)C(=O)CF ZINC001160477641 1068374405 /nfs/dbraw/zinc/37/44/05/1068374405.db2.gz AAGHITPIXZPRLH-HUBLWGQQSA-N 1 0 429.493 -1.375 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484147 1068374275 /nfs/dbraw/zinc/37/42/75/1068374275.db2.gz SAVHSOJLVVATTO-UHFFFAOYSA-N 1 0 425.490 -3.940 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484720 1068374037 /nfs/dbraw/zinc/37/40/37/1068374037.db2.gz AMECMSNXQFSVSU-OALUTQOASA-N 1 0 447.536 -1.494 20 0 IAADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160493613 1068374346 /nfs/dbraw/zinc/37/43/46/1068374346.db2.gz NSRWGABSHOCMPX-ITDIGPHOSA-N 1 0 425.467 -1.070 20 0 IAADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160493615 1068374076 /nfs/dbraw/zinc/37/40/76/1068374076.db2.gz NSRWGABSHOCMPX-JVLSTEMRSA-N 1 0 425.467 -1.070 20 0 IAADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160493617 1068374177 /nfs/dbraw/zinc/37/41/77/1068374177.db2.gz NSRWGABSHOCMPX-NVBFEUDRSA-N 1 0 425.467 -1.070 20 0 IAADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160493619 1068374366 /nfs/dbraw/zinc/37/43/66/1068374366.db2.gz NSRWGABSHOCMPX-WBIUFABUSA-N 1 0 425.467 -1.070 20 0 IAADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160494218 1068374442 /nfs/dbraw/zinc/37/44/42/1068374442.db2.gz RLISUVWLYOTRAE-AMIZOPFISA-N 1 0 433.443 -4.090 20 0 IAADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160494222 1068373883 /nfs/dbraw/zinc/37/38/83/1068373883.db2.gz RLISUVWLYOTRAE-ISVAXAHUSA-N 1 0 433.443 -4.090 20 0 IAADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160494225 1068373950 /nfs/dbraw/zinc/37/39/50/1068373950.db2.gz RLISUVWLYOTRAE-OQPBUACISA-N 1 0 433.443 -4.090 20 0 IAADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160494226 1068374113 /nfs/dbraw/zinc/37/41/13/1068374113.db2.gz RLISUVWLYOTRAE-SDBXPKJASA-N 1 0 433.443 -4.090 20 0 IAADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160495105 1068374300 /nfs/dbraw/zinc/37/43/00/1068374300.db2.gz XDXKDQLQHBTSOA-KIGUWFBYSA-N 1 0 430.483 -1.943 20 0 IAADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160495109 1068373986 /nfs/dbraw/zinc/37/39/86/1068373986.db2.gz XDXKDQLQHBTSOA-USXUVBGUSA-N 1 0 430.483 -1.943 20 0 IAADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160495111 1068374379 /nfs/dbraw/zinc/37/43/79/1068374379.db2.gz XDXKDQLQHBTSOA-VEABSNGSSA-N 1 0 430.483 -1.943 20 0 IAADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160495115 1068374206 /nfs/dbraw/zinc/37/42/06/1068374206.db2.gz XDXKDQLQHBTSOA-ZVXAKGHKSA-N 1 0 430.483 -1.943 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160505551 1068374230 /nfs/dbraw/zinc/37/42/30/1068374230.db2.gz YORDOGWVUVEPII-FHWLQOOXSA-N 1 0 448.520 -1.021 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160505554 1068374145 /nfs/dbraw/zinc/37/41/45/1068374145.db2.gz YORDOGWVUVEPII-GBESFXJTSA-N 1 0 448.520 -1.021 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506189 1068373918 /nfs/dbraw/zinc/37/39/18/1068373918.db2.gz JIYXZMXSJNGUGO-CYBMUJFWSA-N 1 0 426.474 -3.466 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506191 1068374256 /nfs/dbraw/zinc/37/42/56/1068374256.db2.gz JIYXZMXSJNGUGO-ZDUSSCGKSA-N 1 0 426.474 -3.466 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506613 1068374321 /nfs/dbraw/zinc/37/43/21/1068374321.db2.gz OSVRTIKDMUARIG-UHFFFAOYSA-N 1 0 441.876 -2.193 20 0 IAADRO COC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001160535715 1068374956 /nfs/dbraw/zinc/37/49/56/1068374956.db2.gz URUCMBMSHKVEMM-HOTGVXAUSA-N 1 0 425.530 -1.297 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160538710 1068375179 /nfs/dbraw/zinc/37/51/79/1068375179.db2.gz KKWWMYVJJMPFAP-UHFFFAOYSA-N 1 0 433.469 -2.330 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2c(Br)cnc2C1 ZINC001160545368 1068374830 /nfs/dbraw/zinc/37/48/30/1068374830.db2.gz QKGHVDJWMCLKHO-UHFFFAOYSA-N 1 0 430.263 -2.705 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001160558092 1068375102 /nfs/dbraw/zinc/37/51/02/1068375102.db2.gz ZCPOBVKGUKTFHF-UHFFFAOYSA-N 1 0 446.464 -1.935 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566440 1068374696 /nfs/dbraw/zinc/37/46/96/1068374696.db2.gz QHFBAFWWSHXVOK-UHFFFAOYSA-N 1 0 444.496 -2.486 20 0 IAADRO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CC1 ZINC001160584763 1068374926 /nfs/dbraw/zinc/37/49/26/1068374926.db2.gz GGACGICVQLVFKK-HNNXBMFYSA-N 1 0 426.543 -1.107 20 0 IAADRO CS(=O)(=O)CCCN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160585701 1068374656 /nfs/dbraw/zinc/37/46/56/1068374656.db2.gz ORBOKUWBBWQRHS-UHFFFAOYSA-N 1 0 434.519 -4.127 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001160585732 1068374965 /nfs/dbraw/zinc/37/49/65/1068374965.db2.gz QEKSTXFPCCFLHC-GJZGRUSLSA-N 1 0 431.559 -1.980 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2nccc3occc32)CC1 ZINC001160589380 1068375024 /nfs/dbraw/zinc/37/50/24/1068375024.db2.gz QGRIMANAXYLIMQ-UHFFFAOYSA-N 1 0 431.453 -2.216 20 0 IAADRO CC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160595230 1068375140 /nfs/dbraw/zinc/37/51/40/1068375140.db2.gz ILMILDCVKYKVLX-UHFFFAOYSA-N 1 0 431.493 -1.557 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC001160605975 1068374804 /nfs/dbraw/zinc/37/48/04/1068374804.db2.gz PEEJXXVZZMKMEW-UHFFFAOYSA-N 1 0 448.455 -1.020 20 0 IAADRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160609658 1068374896 /nfs/dbraw/zinc/37/48/96/1068374896.db2.gz VJLFWAUVMMNZAC-LXIYXOSZSA-N 1 0 439.513 -1.738 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610333 1068374747 /nfs/dbraw/zinc/37/47/47/1068374747.db2.gz AJBSYSUBJLOASQ-AWEZNQCLSA-N 1 0 439.494 -2.632 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160610334 1068374615 /nfs/dbraw/zinc/37/46/15/1068374615.db2.gz AJBSYSUBJLOASQ-CQSZACIVSA-N 1 0 439.494 -2.632 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(N)=[NH2+])C(=O)NCC(N)=O ZINC001160626649 1068374857 /nfs/dbraw/zinc/37/48/57/1068374857.db2.gz AELJGXOOHWWAFN-KBPBESRZSA-N 1 0 425.534 -1.237 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)NCC(N)=O ZINC001160626897 1068374870 /nfs/dbraw/zinc/37/48/70/1068374870.db2.gz CIZFBGCAXGYGPX-ZOBUZTSGSA-N 1 0 425.530 -1.136 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)COC1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001160627560 1068375600 /nfs/dbraw/zinc/37/56/00/1068375600.db2.gz DWERPNULSVXAHA-HOTGVXAUSA-N 1 0 425.530 -1.122 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])CCC(N)=O)C(=O)NCC(N)=O ZINC001160627649 1068375761 /nfs/dbraw/zinc/37/57/61/1068375761.db2.gz FPEOAWOHHISZDN-IHRRRGAJSA-N 1 0 426.518 -1.907 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1)C(=O)NCC(N)=O ZINC001160627709 1068375386 /nfs/dbraw/zinc/37/53/86/1068375386.db2.gz GFXMWIIPBWMTAA-PVAVHDDUSA-N 1 0 447.540 -1.274 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]Cc2ccnn2C1)C(=O)NCC(N)=O ZINC001160627712 1068375709 /nfs/dbraw/zinc/37/57/09/1068375709.db2.gz GFXMWIIPBWMTAA-XIRDDKMYSA-N 1 0 447.540 -1.274 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(N)=O ZINC001160627807 1068375617 /nfs/dbraw/zinc/37/56/17/1068375617.db2.gz HATFACDYRPXNNI-KKUMJFAQSA-N 1 0 438.529 -2.022 20 0 IAADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160627811 1068375515 /nfs/dbraw/zinc/37/55/15/1068375515.db2.gz HEWILRIEPXLLFX-IHRRRGAJSA-N 1 0 427.502 -1.610 20 0 IAADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160627813 1068375669 /nfs/dbraw/zinc/37/56/69/1068375669.db2.gz HEWILRIEPXLLFX-RDBSUJKOSA-N 1 0 427.502 -1.610 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628485 1068375465 /nfs/dbraw/zinc/37/54/65/1068375465.db2.gz IUCBOADACXSRGQ-FXUDXRNXSA-N 1 0 439.513 -1.739 20 0 IAADRO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628487 1068375694 /nfs/dbraw/zinc/37/56/94/1068375694.db2.gz IUCBOADACXSRGQ-UGUYLWEFSA-N 1 0 439.513 -1.739 20 0 IAADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628490 1068375743 /nfs/dbraw/zinc/37/57/43/1068375743.db2.gz IUCBOADACXSRGQ-VGWMRTNUSA-N 1 0 439.513 -1.739 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628493 1068375651 /nfs/dbraw/zinc/37/56/51/1068375651.db2.gz IUCBOADACXSRGQ-YHUYYLMFSA-N 1 0 439.513 -1.739 20 0 IAADRO C[NH2+][C@@H]1CCCN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160628528 1068375794 /nfs/dbraw/zinc/37/57/94/1068375794.db2.gz JFXWJXGDSGSQRJ-IKGGRYGDSA-N 1 0 438.573 -1.206 20 0 IAADRO C[NH2+][C@H]1CCCN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160628531 1068375776 /nfs/dbraw/zinc/37/57/76/1068375776.db2.gz JFXWJXGDSGSQRJ-ULQDDVLXSA-N 1 0 438.573 -1.206 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(C)[C@@H]1CCC[NH2+]C1)C(=O)NCC(N)=O ZINC001160628615 1068375585 /nfs/dbraw/zinc/37/55/85/1068375585.db2.gz LHDBHHWHAHNBDU-IKGGRYGDSA-N 1 0 438.573 -1.206 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(C)[C@H]1CCC[NH2+]C1)C(=O)NCC(N)=O ZINC001160628616 1068375450 /nfs/dbraw/zinc/37/54/50/1068375450.db2.gz LHDBHHWHAHNBDU-ULQDDVLXSA-N 1 0 438.573 -1.206 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)C(=O)NCC(N)=O ZINC001160628937 1068375814 /nfs/dbraw/zinc/37/58/14/1068375814.db2.gz MESYYGRLUOKLCL-QUSNUVHPSA-N 1 0 437.541 -1.123 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@]1(O)CCC[NH2+]C1)C(=O)NCC(N)=O ZINC001160628957 1068375633 /nfs/dbraw/zinc/37/56/33/1068375633.db2.gz MTIXFDJWJBDTOZ-AUSJPIAWSA-N 1 0 425.530 -1.386 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1)C(=O)NCC(N)=O ZINC001160628958 1068376371 /nfs/dbraw/zinc/37/63/71/1068376371.db2.gz MTIXFDJWJBDTOZ-AVYPCKFXSA-N 1 0 425.530 -1.386 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C)C(=O)NCC(N)=O ZINC001160628960 1068376277 /nfs/dbraw/zinc/37/62/77/1068376277.db2.gz MVVGUZFYOPNHPF-JYJNAYRXSA-N 1 0 435.529 -1.587 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCC(O)CC1)C(=O)NCC(N)=O ZINC001160628993 1068376218 /nfs/dbraw/zinc/37/62/18/1068376218.db2.gz NLTJCMBSXUQUBJ-DYGHHNRNSA-N 1 0 439.557 -1.012 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(N)=O ZINC001160629051 1068376337 /nfs/dbraw/zinc/37/63/37/1068376337.db2.gz OTEBRRUZABSBQT-KKUMJFAQSA-N 1 0 438.529 -1.941 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C(=O)NCC(N)=O ZINC001160629081 1068376002 /nfs/dbraw/zinc/37/60/02/1068376002.db2.gz PKIPSWPFSSLEOJ-PAAQWJQKSA-N 1 0 431.559 -1.794 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O)C(=O)NCC(N)=O ZINC001160629088 1068375923 /nfs/dbraw/zinc/37/59/23/1068375923.db2.gz PKIPSWPFSSLEOJ-VCFCQWRTSA-N 1 0 431.559 -1.794 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(=O)NCC(N)=O ZINC001160629405 1068376248 /nfs/dbraw/zinc/37/62/48/1068376248.db2.gz QNLXUIJYSLWKIV-QUSNUVHPSA-N 1 0 437.541 -1.123 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@]1(C)CC[NH2+]C[C@H]1O)C(=O)NCC(N)=O ZINC001160629407 1068375982 /nfs/dbraw/zinc/37/59/82/1068375982.db2.gz QONXYVGAHZBCIU-CJXDPKRBSA-N 1 0 425.530 -1.530 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@]1(C)CC[NH2+]C[C@@H]1O)C(=O)NCC(N)=O ZINC001160629410 1068376063 /nfs/dbraw/zinc/37/60/63/1068376063.db2.gz QONXYVGAHZBCIU-KZDUYQQSSA-N 1 0 425.530 -1.530 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)C(=O)NCC(N)=O ZINC001160629411 1068376408 /nfs/dbraw/zinc/37/64/08/1068376408.db2.gz QONXYVGAHZBCIU-UJKGCTCZSA-N 1 0 425.530 -1.530 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)C(=O)NCC(N)=O ZINC001160629413 1068375962 /nfs/dbraw/zinc/37/59/62/1068375962.db2.gz QONXYVGAHZBCIU-VPCSNGCSSA-N 1 0 425.530 -1.530 20 0 IAADRO CCOC(=O)C1(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[NH2+]C1 ZINC001160629457 1068376184 /nfs/dbraw/zinc/37/61/84/1068376184.db2.gz RPQQWVKHMZPFKF-KBPBESRZSA-N 1 0 439.513 -1.738 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C(=O)NCC(N)=O ZINC001160629511 1068376309 /nfs/dbraw/zinc/37/63/09/1068376309.db2.gz STXODXYDPKTNCS-KKUMJFAQSA-N 1 0 438.529 -2.560 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1)C(=O)NCC(N)=O ZINC001160629512 1068376147 /nfs/dbraw/zinc/37/61/47/1068376147.db2.gz STXODXYDPKTNCS-ZNMIVQPWSA-N 1 0 438.529 -2.560 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)C(=O)NCC(N)=O ZINC001160630033 1068376389 /nfs/dbraw/zinc/37/63/89/1068376389.db2.gz UUXUOIMKLDCTEB-IWSXDTNSSA-N 1 0 437.541 -1.266 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)C(=O)NCC(N)=O ZINC001160630035 1068376081 /nfs/dbraw/zinc/37/60/81/1068376081.db2.gz UUXUOIMKLDCTEB-KCYAQADSSA-N 1 0 437.541 -1.266 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)C(=O)NCC(N)=O ZINC001160630038 1068376040 /nfs/dbraw/zinc/37/60/40/1068376040.db2.gz UUXUOIMKLDCTEB-LFRCEIEQSA-N 1 0 437.541 -1.266 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)C(=O)NCC(N)=O ZINC001160630041 1068376889 /nfs/dbraw/zinc/37/68/89/1068376889.db2.gz UUXUOIMKLDCTEB-ULQWZQFMSA-N 1 0 437.541 -1.266 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)C(=O)NCC(N)=O ZINC001160630072 1068376532 /nfs/dbraw/zinc/37/65/32/1068376532.db2.gz VCWQEBCLACPLMV-BQJWPVKWSA-N 1 0 437.541 -1.123 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001160630138 1068377083 /nfs/dbraw/zinc/37/70/83/1068377083.db2.gz WBIKTKVSXAACTA-KPHUOKFYSA-N 1 0 436.513 -1.382 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=NO[C@]2(CC[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001160630139 1068376702 /nfs/dbraw/zinc/37/67/02/1068376702.db2.gz WBIKTKVSXAACTA-ZQGRQUNCSA-N 1 0 436.513 -1.382 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)COCCOCC[NH3+])C(=O)NCC(N)=O ZINC001160630153 1068376514 /nfs/dbraw/zinc/37/65/14/1068376514.db2.gz WPGACVZVWGBXQM-GJZGRUSLSA-N 1 0 429.518 -1.898 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)C(=O)NCC(N)=O ZINC001160630180 1068377022 /nfs/dbraw/zinc/37/70/22/1068377022.db2.gz XQKBFWYXUGXXDU-HEHGZKQESA-N 1 0 436.513 -2.412 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)C(=O)NCC(N)=O ZINC001160630182 1068376553 /nfs/dbraw/zinc/37/65/53/1068376553.db2.gz XQKBFWYXUGXXDU-XEZPLFJOSA-N 1 0 436.513 -2.412 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cnc2n1CC[NH2+]CC2)C(=O)NCC(N)=O ZINC001160630348 1068376911 /nfs/dbraw/zinc/37/69/11/1068376911.db2.gz ARLJOPHSRZRPCG-GJZGRUSLSA-N 1 0 447.540 -1.234 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)NCC(N)=O ZINC001160630527 1068376925 /nfs/dbraw/zinc/37/69/25/1068376925.db2.gz YAKGCXFRRBZCRX-XUXIUFHCSA-N 1 0 426.518 -2.038 20 0 IAADRO CO[C@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160631590 1068376714 /nfs/dbraw/zinc/37/67/14/1068376714.db2.gz OSJYSUWDPBIARA-JONQDZQNSA-N 1 0 425.530 -1.123 20 0 IAADRO CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160631591 1068376967 /nfs/dbraw/zinc/37/69/67/1068376967.db2.gz OSJYSUWDPBIARA-QXSJWSMHSA-N 1 0 425.530 -1.123 20 0 IAADRO CO[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160631592 1068376768 /nfs/dbraw/zinc/37/67/68/1068376768.db2.gz OSJYSUWDPBIARA-UGUYLWEFSA-N 1 0 425.530 -1.123 20 0 IAADRO CO[C@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001160631593 1068376574 /nfs/dbraw/zinc/37/65/74/1068376574.db2.gz OSJYSUWDPBIARA-VGWMRTNUSA-N 1 0 425.530 -1.123 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2)C(=O)NCC(N)=O ZINC001160632037 1068377905 /nfs/dbraw/zinc/37/79/05/1068377905.db2.gz ZCLOXVXUBQDBHX-GJZGRUSLSA-N 1 0 433.513 -1.208 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160637188 1068377845 /nfs/dbraw/zinc/37/78/45/1068377845.db2.gz SBILVJMMLALKEI-IRXDYDNUSA-N 1 0 436.557 -1.630 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637389 1068377489 /nfs/dbraw/zinc/37/74/89/1068377489.db2.gz MUCUWWUDSGUIOL-ROUUACIJSA-N 1 0 434.493 -1.411 20 0 IAADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC(N4CCNC(=O)C4)C3)c2)cc1 ZINC001160638211 1068377384 /nfs/dbraw/zinc/37/73/84/1068377384.db2.gz ZFCKREGRMXEEPO-GOSISDBHSA-N 1 0 446.533 -1.059 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160638262 1068377222 /nfs/dbraw/zinc/37/72/22/1068377222.db2.gz ZKMVJEZNFDJMKR-XIRDDKMYSA-N 1 0 436.557 -1.502 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN2C(=O)CC[C@@H]2C1)C(=O)CF ZINC001160647689 1068377780 /nfs/dbraw/zinc/37/77/80/1068377780.db2.gz RGDGWYJCKSMDGW-AHXJXLJNSA-N 1 0 441.504 -1.279 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160662188 1068377646 /nfs/dbraw/zinc/37/76/46/1068377646.db2.gz UYYQWZNDDOARKI-QEJZJMRPSA-N 1 0 431.559 -1.385 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2cc(Br)cnc2C1 ZINC001160664731 1068377184 /nfs/dbraw/zinc/37/71/84/1068377184.db2.gz UIJSBNAXNKSQDT-UHFFFAOYSA-N 1 0 427.259 -2.006 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001160667068 1068377320 /nfs/dbraw/zinc/37/73/20/1068377320.db2.gz DWKJZTSLJHETJF-UHFFFAOYSA-N 1 0 430.469 -2.481 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC001160674621 1068377257 /nfs/dbraw/zinc/37/72/57/1068377257.db2.gz YTRJRSBXEUPMDH-UHFFFAOYSA-N 1 0 431.493 -1.616 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160690125 1068377691 /nfs/dbraw/zinc/37/76/91/1068377691.db2.gz ZEQRJOLUBRBCCZ-UHFFFAOYSA-N 1 0 425.877 -2.309 20 0 IAADRO Cn1c2ccccc2nc1C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160693064 1068378002 /nfs/dbraw/zinc/37/80/02/1068378002.db2.gz IICXDNVVGAVODM-UHFFFAOYSA-N 1 0 443.508 -1.413 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160704793 1068377536 /nfs/dbraw/zinc/37/75/36/1068377536.db2.gz OAUQHZPQIOCTIL-BQFCYCMXSA-N 1 0 433.509 -1.474 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160704796 1068377812 /nfs/dbraw/zinc/37/78/12/1068377812.db2.gz OAUQHZPQIOCTIL-JZXOWHBKSA-N 1 0 433.509 -1.474 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)CF ZINC001160705355 1068377865 /nfs/dbraw/zinc/37/78/65/1068377865.db2.gz WBZHCBMLSJEQBI-MEDZGJRSSA-N 1 0 431.465 -2.399 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@H](C(N)=O)C1)C(=O)CF ZINC001160705356 1068377732 /nfs/dbraw/zinc/37/77/32/1068377732.db2.gz WBZHCBMLSJEQBI-UHXUCMFUSA-N 1 0 431.465 -2.399 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160718704 1068378649 /nfs/dbraw/zinc/37/86/49/1068378649.db2.gz RMVLSZSFQVYESV-HOTGVXAUSA-N 1 0 432.477 -1.216 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160743237 1068378593 /nfs/dbraw/zinc/37/85/93/1068378593.db2.gz VGOASXIHLYPNDU-UHFFFAOYSA-N 1 0 426.474 -3.420 20 0 IAADRO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001160747416 1068378239 /nfs/dbraw/zinc/37/82/39/1068378239.db2.gz RVJNENGTRBOPMG-BZSNNMDCSA-N 1 0 436.509 -1.117 20 0 IAADRO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001160747418 1068378269 /nfs/dbraw/zinc/37/82/69/1068378269.db2.gz RVJNENGTRBOPMG-SQNIBIBYSA-N 1 0 436.509 -1.117 20 0 IAADRO CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001160754578 1068378390 /nfs/dbraw/zinc/37/83/90/1068378390.db2.gz LPWLPFPZORTDKQ-HOCLYGCPSA-N 1 0 447.540 -1.080 20 0 IAADRO COc1cc(C)ccc1OC1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160755969 1068378106 /nfs/dbraw/zinc/37/81/06/1068378106.db2.gz WOUUAUNEJMNKDD-UHFFFAOYSA-N 1 0 449.508 -1.319 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001160760903 1068378682 /nfs/dbraw/zinc/37/86/82/1068378682.db2.gz CLIIDTSDXZPYMO-BETUJISGSA-N 1 0 439.476 -1.650 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C(N)=O ZINC001160766227 1068378334 /nfs/dbraw/zinc/37/83/34/1068378334.db2.gz NMJKJUFNSCKRHN-ARLBYUKCSA-N 1 0 429.477 -1.273 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160771609 1068378422 /nfs/dbraw/zinc/37/84/22/1068378422.db2.gz BODIJDKDDVBJNE-CHWSQXEVSA-N 1 0 434.536 -1.411 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160771610 1068378373 /nfs/dbraw/zinc/37/83/73/1068378373.db2.gz BODIJDKDDVBJNE-OLZOCXBDSA-N 1 0 434.536 -1.411 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160771611 1068378630 /nfs/dbraw/zinc/37/86/30/1068378630.db2.gz BODIJDKDDVBJNE-QWHCGFSZSA-N 1 0 434.536 -1.411 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160771612 1068378497 /nfs/dbraw/zinc/37/84/97/1068378497.db2.gz BODIJDKDDVBJNE-STQMWFEESA-N 1 0 434.536 -1.411 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160771812 1068378440 /nfs/dbraw/zinc/37/84/40/1068378440.db2.gz HECROOANNPTKIZ-JTQLQIEISA-N 1 0 447.470 -4.518 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160771813 1068378563 /nfs/dbraw/zinc/37/85/63/1068378563.db2.gz HECROOANNPTKIZ-SNVBAGLBSA-N 1 0 447.470 -4.518 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001160771855 1068378471 /nfs/dbraw/zinc/37/84/71/1068378471.db2.gz HUFAACQYKDEOHP-OLZOCXBDSA-N 1 0 439.494 -1.497 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001160771856 1068378510 /nfs/dbraw/zinc/37/85/10/1068378510.db2.gz HUFAACQYKDEOHP-STQMWFEESA-N 1 0 439.494 -1.497 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160774291 1068378306 /nfs/dbraw/zinc/37/83/06/1068378306.db2.gz RVTYAVHLFNPZNR-AVGNSLFASA-N 1 0 444.510 -2.371 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160774292 1068378146 /nfs/dbraw/zinc/37/81/46/1068378146.db2.gz RVTYAVHLFNPZNR-XQQFMLRXSA-N 1 0 444.510 -2.371 20 0 IAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@H]1C2 ZINC001160790017 1068379044 /nfs/dbraw/zinc/37/90/44/1068379044.db2.gz IGBUPNNLVZQPID-WUVMZXDYSA-N 1 0 430.465 -1.709 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790043 1068379300 /nfs/dbraw/zinc/37/93/00/1068379300.db2.gz JACGOMJYIKRHTH-QAETUUGQSA-N 1 0 437.541 -1.075 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790044 1068379200 /nfs/dbraw/zinc/37/92/00/1068379200.db2.gz JACGOMJYIKRHTH-YVSFHVDLSA-N 1 0 437.541 -1.075 20 0 IAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)C[C@H]1C2 ZINC001160791712 1068378990 /nfs/dbraw/zinc/37/89/90/1068378990.db2.gz ALSVEUGBFAVXKL-GMFJAKEUSA-N 1 0 425.507 -1.023 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805423 1068379375 /nfs/dbraw/zinc/37/93/75/1068379375.db2.gz CLZBBGLYBTUOQR-WMZOPIPTSA-N 1 0 443.552 -1.131 20 0 IAADRO CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001160805556 1068378845 /nfs/dbraw/zinc/37/88/45/1068378845.db2.gz BVHXDYXUKZVCKY-KBPBESRZSA-N 1 0 434.497 -1.101 20 0 IAADRO CCOC(=O)c1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001160806272 1068379064 /nfs/dbraw/zinc/37/90/64/1068379064.db2.gz NLNWFVNOAVXQDK-UHFFFAOYSA-N 1 0 437.457 -3.248 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806765 1068379425 /nfs/dbraw/zinc/37/94/25/1068379425.db2.gz VKQUTGVOBKHJNO-UHFFFAOYSA-N 1 0 446.512 -3.278 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001160826435 1068379144 /nfs/dbraw/zinc/37/91/44/1068379144.db2.gz ZYZPECRYRFNFNT-UHFFFAOYSA-N 1 0 448.307 -1.378 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001160832360 1068379100 /nfs/dbraw/zinc/37/91/00/1068379100.db2.gz FNUWCVUQYIAMQB-UHFFFAOYSA-N 1 0 427.465 -1.936 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCn2nncc2C1)C(=O)CF ZINC001160832993 1068379010 /nfs/dbraw/zinc/37/90/10/1068379010.db2.gz NJQHBHSFOJDZKV-RBOXIYTFSA-N 1 0 425.465 -1.478 20 0 IAADRO C[C@](O)(C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)C(F)(F)F ZINC001160839297 1068379326 /nfs/dbraw/zinc/37/93/26/1068379326.db2.gz RYOJMJUDNPXFOJ-HNNXBMFYSA-N 1 0 425.408 -2.154 20 0 IAADRO C[C@@](O)(C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)C(F)(F)F ZINC001160839300 1068379399 /nfs/dbraw/zinc/37/93/99/1068379399.db2.gz RYOJMJUDNPXFOJ-OAHLLOKOSA-N 1 0 425.408 -2.154 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)C(N)=O ZINC001160839437 1068379228 /nfs/dbraw/zinc/37/92/28/1068379228.db2.gz PWYBMHWJRWOJNW-LSDHHAIUSA-N 1 0 432.529 -1.177 20 0 IAADRO COC(=O)[C@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC001160871495 1068380172 /nfs/dbraw/zinc/38/01/72/1068380172.db2.gz WJLRWOKQPACOHC-HRCADAONSA-N 1 0 425.530 -1.299 20 0 IAADRO COC(=O)[C@@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC001160871497 1068380376 /nfs/dbraw/zinc/38/03/76/1068380376.db2.gz WJLRWOKQPACOHC-JYJNAYRXSA-N 1 0 425.530 -1.299 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160879267 1068380462 /nfs/dbraw/zinc/38/04/62/1068380462.db2.gz PWUUKBSJOQZHRM-UHFFFAOYSA-N 1 0 432.437 -2.623 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001160882474 1068380430 /nfs/dbraw/zinc/38/04/30/1068380430.db2.gz BKBGSKHUCWBFCK-UHFFFAOYSA-N 1 0 429.399 -1.103 20 0 IAADRO CC(C)(C)OC(=O)CC1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160886709 1068380392 /nfs/dbraw/zinc/38/03/92/1068380392.db2.gz NVSBJWCFSKKUJQ-UHFFFAOYSA-N 1 0 427.502 -1.736 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001160893383 1068379859 /nfs/dbraw/zinc/37/98/59/1068379859.db2.gz BAVNLILETJHMTG-UHFFFAOYSA-N 1 0 430.469 -2.481 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160894045 1068380197 /nfs/dbraw/zinc/38/01/97/1068380197.db2.gz GVWSZBXGLBPFDX-UHFFFAOYSA-N 1 0 425.555 -1.290 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(CC(=O)N(C)c2ccccc2)CC1)C(N)=O ZINC001160894435 1068380346 /nfs/dbraw/zinc/38/03/46/1068380346.db2.gz USVUTTCPNMDBFO-DOTOQJQBSA-N 1 0 432.525 -1.109 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1)C(N)=O ZINC001160895158 1068379936 /nfs/dbraw/zinc/37/99/36/1068379936.db2.gz VSCDHXSQKPKFKX-FUHWJXTLSA-N 1 0 446.552 -1.413 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160895692 1068380256 /nfs/dbraw/zinc/38/02/56/1068380256.db2.gz YXQBBUKMOKRDDI-RDJZCZTQSA-N 1 0 432.525 -1.803 20 0 IAADRO COc1cccc(NC2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC001160895744 1068380050 /nfs/dbraw/zinc/38/00/50/1068380050.db2.gz AMWMWPAPGDWAAW-UHFFFAOYSA-N 1 0 434.497 -1.595 20 0 IAADRO COC(=O)c1cn2c(n1)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001160906000 1068379675 /nfs/dbraw/zinc/37/96/75/1068379675.db2.gz YKFBBDRVDVYYMD-HOCLYGCPSA-N 1 0 431.449 -1.235 20 0 IAADRO CO[C@@H](CN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)c1ccccc1 ZINC001160907183 1068380288 /nfs/dbraw/zinc/38/02/88/1068380288.db2.gz UNVBNKBTZCUFEB-KRWDZBQOSA-N 1 0 448.524 -2.174 20 0 IAADRO CO[C@H](CN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)c1ccccc1 ZINC001160907184 1068380125 /nfs/dbraw/zinc/38/01/25/1068380125.db2.gz UNVBNKBTZCUFEB-QGZVFWFLSA-N 1 0 448.524 -2.174 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160911163 1068379770 /nfs/dbraw/zinc/37/97/70/1068379770.db2.gz ABEMMNKJIKWGPH-UHFFFAOYSA-N 1 0 441.876 -2.193 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160921403 1068380217 /nfs/dbraw/zinc/38/02/17/1068380217.db2.gz XTKFQTGAKQYTLH-WFASDCNBSA-N 1 0 434.472 -1.212 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)N(C)C[C@@H]1C)C(=O)CF ZINC001160941272 1068379617 /nfs/dbraw/zinc/37/96/17/1068379617.db2.gz JMUAHAAFOSOKQM-MRHIQRDNSA-N 1 0 429.493 -1.423 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160942642 1068380019 /nfs/dbraw/zinc/38/00/19/1068380019.db2.gz YVZGWRAXCRYEBI-UHFFFAOYSA-N 1 0 446.508 -2.403 20 0 IAADRO COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160947173 1068380712 /nfs/dbraw/zinc/38/07/12/1068380712.db2.gz DEMGRHXAVXZBTG-AWEZNQCLSA-N 1 0 435.481 -1.726 20 0 IAADRO COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160947176 1068381148 /nfs/dbraw/zinc/38/11/48/1068381148.db2.gz DEMGRHXAVXZBTG-CQSZACIVSA-N 1 0 435.481 -1.726 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001160947833 1068380904 /nfs/dbraw/zinc/38/09/04/1068380904.db2.gz IYJJNQBGIHUMJD-UHFFFAOYSA-N 1 0 429.481 -1.876 20 0 IAADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)C2=O)cc1 ZINC001160968702 1068380612 /nfs/dbraw/zinc/38/06/12/1068380612.db2.gz VHOGMPDLWYSOIH-LCMPSIMXSA-N 1 0 433.465 -1.458 20 0 IAADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)C2=O)cc1 ZINC001160968704 1068380926 /nfs/dbraw/zinc/38/09/26/1068380926.db2.gz VHOGMPDLWYSOIH-NRKGENKXSA-N 1 0 433.465 -1.458 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008101 1068381209 /nfs/dbraw/zinc/38/12/09/1068381209.db2.gz NTPDZLFLQAUVPU-BZSNNMDCSA-N 1 0 449.552 -1.180 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008104 1068380838 /nfs/dbraw/zinc/38/08/38/1068380838.db2.gz NTPDZLFLQAUVPU-OKZBNKHCSA-N 1 0 449.552 -1.180 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161011785 1068380973 /nfs/dbraw/zinc/38/09/73/1068380973.db2.gz ZIOOEXGPTUZKEK-UHFFFAOYSA-N 1 0 432.437 -2.623 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001161028812 1068380676 /nfs/dbraw/zinc/38/06/76/1068380676.db2.gz LFXWBZMZZLLDTI-AWEZNQCLSA-N 1 0 425.873 -1.453 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001161028813 1068381009 /nfs/dbraw/zinc/38/10/09/1068381009.db2.gz LFXWBZMZZLLDTI-CQSZACIVSA-N 1 0 425.873 -1.453 20 0 IAADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065674 1068380864 /nfs/dbraw/zinc/38/08/64/1068380864.db2.gz UMOKDBHVACXRIQ-KBPBESRZSA-N 1 0 432.510 -1.102 20 0 IAADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065676 1068380885 /nfs/dbraw/zinc/38/08/85/1068380885.db2.gz UMOKDBHVACXRIQ-KGLIPLIRSA-N 1 0 432.510 -1.102 20 0 IAADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065678 1068381226 /nfs/dbraw/zinc/38/12/26/1068381226.db2.gz UMOKDBHVACXRIQ-UONOGXRCSA-N 1 0 432.510 -1.102 20 0 IAADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161065680 1068381608 /nfs/dbraw/zinc/38/16/08/1068381608.db2.gz UMOKDBHVACXRIQ-ZIAGYGMSSA-N 1 0 432.510 -1.102 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C(N)=O ZINC001161068190 1068381638 /nfs/dbraw/zinc/38/16/38/1068381638.db2.gz OKHKTZWRFFYAIL-RWMBFGLXSA-N 1 0 426.499 -1.942 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C(N)=O ZINC001161068194 1068381553 /nfs/dbraw/zinc/38/15/53/1068381553.db2.gz OKHKTZWRFFYAIL-YNEHKIRRSA-N 1 0 426.499 -1.942 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084480 1068381658 /nfs/dbraw/zinc/38/16/58/1068381658.db2.gz YNWQWWGJTLKJKL-IRXDYDNUSA-N 1 0 430.465 -1.417 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2cc(-c3ccccc3)nc2C1 ZINC001161090553 1068381754 /nfs/dbraw/zinc/38/17/54/1068381754.db2.gz QTEADAHEIPQCBG-UHFFFAOYSA-N 1 0 427.465 -1.800 20 0 IAADRO COc1cc(N2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)ncn1 ZINC001161093809 1068381825 /nfs/dbraw/zinc/38/18/25/1068381825.db2.gz XNAGQWKLWVYCJZ-IRXDYDNUSA-N 1 0 444.492 -1.114 20 0 IAADRO COC(=O)c1cnc(NCCN(CC[NH3+])N(O)N=O)c(S(=O)(=O)N2CCOCC2)c1 ZINC001161095985 1068381732 /nfs/dbraw/zinc/38/17/32/1068381732.db2.gz SSRRCWSJKYNSCA-UHFFFAOYSA-N 1 0 447.474 -1.151 20 0 IAADRO O=C(CN1CC(=O)NC1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117286 1068381478 /nfs/dbraw/zinc/38/14/78/1068381478.db2.gz DRTLJLLXSHKLAH-STQMWFEESA-N 1 0 428.440 -1.720 20 0 IAADRO NS(=O)(=O)CCCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118256 1068381534 /nfs/dbraw/zinc/38/15/34/1068381534.db2.gz DIXGWGNAVFGIHL-KBPBESRZSA-N 1 0 437.513 -1.203 20 0 IAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118982 1068382284 /nfs/dbraw/zinc/38/22/84/1068382284.db2.gz KHYAZLHSSKATBT-FIDHJVLJSA-N 1 0 444.479 -1.859 20 0 IAADRO CN1C(=O)C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)NC1=O ZINC001161119003 1068382249 /nfs/dbraw/zinc/38/22/49/1068382249.db2.gz KQUFOOAMOIBJDR-IHRRRGAJSA-N 1 0 442.467 -1.331 20 0 IAADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119638 1068382341 /nfs/dbraw/zinc/38/23/41/1068382341.db2.gz RGYZBCYGHPUVSK-IHRRRGAJSA-N 1 0 431.509 -1.040 20 0 IAADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119639 1068382072 /nfs/dbraw/zinc/38/20/72/1068382072.db2.gz RGYZBCYGHPUVSK-MELADBBJSA-N 1 0 431.509 -1.040 20 0 IAADRO O=C(CN1CCNCC1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119640 1068382217 /nfs/dbraw/zinc/38/22/17/1068382217.db2.gz RHZPMKJJNCXEJA-GJZGRUSLSA-N 1 0 428.484 -1.840 20 0 IAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119901 1068382464 /nfs/dbraw/zinc/38/24/64/1068382464.db2.gz TUPWMEKJYCUUPX-YVSFHVDLSA-N 1 0 443.495 -1.290 20 0 IAADRO CN1CCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161119905 1068382303 /nfs/dbraw/zinc/38/23/03/1068382303.db2.gz TYHBMQMECXKHIF-IRXDYDNUSA-N 1 0 428.528 -1.024 20 0 IAADRO O=C(CN1C(=O)CNC1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119972 1068383023 /nfs/dbraw/zinc/38/30/23/1068383023.db2.gz WEXHITYLLNWGCD-STQMWFEESA-N 1 0 428.440 -1.720 20 0 IAADRO NC(=O)c1nccnc1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122616 1068382985 /nfs/dbraw/zinc/38/29/85/1068382985.db2.gz CPWWCPOUBFUMBH-STQMWFEESA-N 1 0 437.451 -1.069 20 0 IAADRO O=C(C[C@@H]1NC(=O)CNC1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122641 1068383130 /nfs/dbraw/zinc/38/31/30/1068383130.db2.gz DTASYMHGTQMGIM-IHRRRGAJSA-N 1 0 442.467 -2.267 20 0 IAADRO CS(=O)(=O)N1CC(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122665 1068382668 /nfs/dbraw/zinc/38/26/68/1068382668.db2.gz FNHRKFXMKRIKIC-GJZGRUSLSA-N 1 0 449.524 -1.380 20 0 IAADRO CC(=O)N[C@@H](CCO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122765 1068382750 /nfs/dbraw/zinc/38/27/50/1068382750.db2.gz JBNDAQSTAZOTJW-JYJNAYRXSA-N 1 0 431.484 -1.384 20 0 IAADRO CC(=O)N[C@H](CCO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122766 1068382970 /nfs/dbraw/zinc/38/29/70/1068382970.db2.gz JBNDAQSTAZOTJW-XHSDSOJGSA-N 1 0 431.484 -1.384 20 0 IAADRO CC(=O)N[C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)[C@@H](C)O ZINC001161122968 1068383145 /nfs/dbraw/zinc/38/31/45/1068383145.db2.gz MZSLLSGXIRTZIE-OEAJRASXSA-N 1 0 431.484 -1.386 20 0 IAADRO O=C(c1nnn2c1CNCC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161125388 1068383679 /nfs/dbraw/zinc/38/36/79/1068383679.db2.gz ZRFZUKHBIJZSGN-KBPBESRZSA-N 1 0 438.483 -1.263 20 0 IAADRO COC(=O)[C@@]1(N)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001161138608 1068383708 /nfs/dbraw/zinc/38/37/08/1068383708.db2.gz WZXRJDQXDDLOCB-CIMWUQIDSA-N 1 0 445.492 -2.009 20 0 IAADRO COC(=O)[C@]1(N)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001161138609 1068383884 /nfs/dbraw/zinc/38/38/84/1068383884.db2.gz WZXRJDQXDDLOCB-UPDUFCCMSA-N 1 0 445.492 -2.009 20 0 IAADRO COC(=O)[C@@]1(N)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161138885 1068383842 /nfs/dbraw/zinc/38/38/42/1068383842.db2.gz GCIGEKLJQVUPQB-SGXKBVARSA-N 1 0 447.536 -1.084 20 0 IAADRO COC(=O)[C@]1(N)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161138886 1068384036 /nfs/dbraw/zinc/38/40/36/1068384036.db2.gz GCIGEKLJQVUPQB-ZJBJCVSYSA-N 1 0 447.536 -1.084 20 0 IAADRO COC(=O)[C@]1(N)CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161139643 1068383368 /nfs/dbraw/zinc/38/33/68/1068383368.db2.gz ZNUMHQCDHJVQCA-KZDUYQQSSA-N 1 0 425.530 -1.042 20 0 IAADRO COC(=O)[C@@]1(N)CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161139644 1068383455 /nfs/dbraw/zinc/38/34/55/1068383455.db2.gz ZNUMHQCDHJVQCA-VPCSNGCSSA-N 1 0 425.530 -1.042 20 0 IAADRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146137 1068383554 /nfs/dbraw/zinc/38/35/54/1068383554.db2.gz NEFGUNYQTFZGFF-UAGQMJEPSA-N 1 0 433.509 -1.030 20 0 IAADRO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146138 1068383763 /nfs/dbraw/zinc/38/37/63/1068383763.db2.gz NEFGUNYQTFZGFF-XIRDDKMYSA-N 1 0 433.509 -1.030 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)c2nonc21 ZINC001161154163 1068383914 /nfs/dbraw/zinc/38/39/14/1068383914.db2.gz VZIMMIZXBLYZPR-UHFFFAOYSA-N 1 0 425.471 -1.803 20 0 IAADRO CC1(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[C@@]12c1ccccc1OC2=O ZINC001161163546 1068384003 /nfs/dbraw/zinc/38/40/03/1068384003.db2.gz NKNVEQPTKFTMCK-NRFANRHFSA-N 1 0 445.476 -1.838 20 0 IAADRO CC1(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[C@]12c1ccccc1OC2=O ZINC001161163547 1068383510 /nfs/dbraw/zinc/38/35/10/1068383510.db2.gz NKNVEQPTKFTMCK-OAQYLSRUSA-N 1 0 445.476 -1.838 20 0 IAADRO CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCO1 ZINC001161170723 1068384168 /nfs/dbraw/zinc/38/41/68/1068384168.db2.gz LOMFERHDTYUSHK-CORIIIEPSA-N 1 0 434.453 -1.370 20 0 IAADRO CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CCO1 ZINC001161170725 1068384531 /nfs/dbraw/zinc/38/45/31/1068384531.db2.gz LOMFERHDTYUSHK-WHOFXGATSA-N 1 0 434.453 -1.370 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197820 1068384661 /nfs/dbraw/zinc/38/46/61/1068384661.db2.gz FTRJSWLQNHFWOC-SFHVURJKSA-N 1 0 427.546 -1.850 20 0 IAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236565 1068384289 /nfs/dbraw/zinc/38/42/89/1068384289.db2.gz FGGGVXQLGVABDZ-HRCADAONSA-N 1 0 425.530 -1.299 20 0 IAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236566 1068384492 /nfs/dbraw/zinc/38/44/92/1068384492.db2.gz FGGGVXQLGVABDZ-JYJNAYRXSA-N 1 0 425.530 -1.299 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161237731 1068384627 /nfs/dbraw/zinc/38/46/27/1068384627.db2.gz NZTCONHISTYXKQ-KRWDZBQOSA-N 1 0 438.872 -2.353 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001161237732 1068384710 /nfs/dbraw/zinc/38/47/10/1068384710.db2.gz NZTCONHISTYXKQ-QGZVFWFLSA-N 1 0 438.872 -2.353 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(c2ncncn2)CC1 ZINC001161248582 1068384690 /nfs/dbraw/zinc/38/46/90/1068384690.db2.gz YSFICDIBYDUJHR-HOTGVXAUSA-N 1 0 432.529 -1.081 20 0 IAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001161264891 1068384351 /nfs/dbraw/zinc/38/43/51/1068384351.db2.gz UHFLEXVBHMKIFO-IRXDYDNUSA-N 1 0 442.538 -1.331 20 0 IAADRO COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)cc1 ZINC001161269047 1068384598 /nfs/dbraw/zinc/38/45/98/1068384598.db2.gz QXVBYTOXTYLCQN-LRDDRELGSA-N 1 0 428.511 -1.211 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269406 1068384249 /nfs/dbraw/zinc/38/42/49/1068384249.db2.gz BLQSNWUBSHPROT-UHFFFAOYSA-N 1 0 441.489 -3.674 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269469 1068384564 /nfs/dbraw/zinc/38/45/64/1068384564.db2.gz DWKQALWBNIYTKZ-HOCLYGCPSA-N 1 0 443.570 -1.143 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269696 1068384206 /nfs/dbraw/zinc/38/42/06/1068384206.db2.gz JNIXARGJFKRWEL-UHFFFAOYSA-N 1 0 446.530 -3.290 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270211 1068384394 /nfs/dbraw/zinc/38/43/94/1068384394.db2.gz TUMXZIJZCOBPRN-HOCLYGCPSA-N 1 0 438.529 -1.526 20 0 IAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCN1C(C)=O ZINC001161297708 1068385340 /nfs/dbraw/zinc/38/53/40/1068385340.db2.gz ZLZMFHVRFOXNML-ULQDDVLXSA-N 1 0 436.465 -2.029 20 0 IAADRO COC(=O)[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCN1C(C)=O ZINC001161297709 1068385179 /nfs/dbraw/zinc/38/51/79/1068385179.db2.gz ZLZMFHVRFOXNML-YESZJQIVSA-N 1 0 436.465 -2.029 20 0 IAADRO COc1ccc(C(=O)N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC001161304188 1068385221 /nfs/dbraw/zinc/38/52/21/1068385221.db2.gz WNPLDFFQJZKOPJ-UHFFFAOYSA-N 1 0 448.480 -2.713 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313397 1068385459 /nfs/dbraw/zinc/38/54/59/1068385459.db2.gz LCBFRJDFGNADEE-UHFFFAOYSA-N 1 0 425.421 -2.707 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161317946 1068385530 /nfs/dbraw/zinc/38/55/30/1068385530.db2.gz SSYJQPUSWWKUKI-UHFFFAOYSA-N 1 0 436.513 -2.455 20 0 IAADRO CN(C(=O)c1ccccc1)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001161329230 1068385138 /nfs/dbraw/zinc/38/51/38/1068385138.db2.gz XTLMAHHSHZYGPU-UHFFFAOYSA-N 1 0 446.508 -1.943 20 0 IAADRO COc1cccc([C@@H]2CSCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001161360600 1068385076 /nfs/dbraw/zinc/38/50/76/1068385076.db2.gz FDYOXQCYODLIKB-HNNXBMFYSA-N 1 0 437.522 -1.381 20 0 IAADRO COc1cccc([C@H]2CSCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001161360601 1068385367 /nfs/dbraw/zinc/38/53/67/1068385367.db2.gz FDYOXQCYODLIKB-OAHLLOKOSA-N 1 0 437.522 -1.381 20 0 IAADRO COc1ccnc(OC2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)n1 ZINC001161366885 1068385261 /nfs/dbraw/zinc/38/52/61/1068385261.db2.gz DAKDYMKTKBVLFM-UHFFFAOYSA-N 1 0 437.457 -2.838 20 0 IAADRO COc1ccc(O[C@H]2CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)nc1 ZINC001161369814 1068385007 /nfs/dbraw/zinc/38/50/07/1068385007.db2.gz PHFUOPPTLRVEOD-AWEZNQCLSA-N 1 0 436.469 -2.233 20 0 IAADRO COc1ccc(O[C@@H]2CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)nc1 ZINC001161369821 1068385101 /nfs/dbraw/zinc/38/51/01/1068385101.db2.gz PHFUOPPTLRVEOD-CQSZACIVSA-N 1 0 436.469 -2.233 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161457305 1068385916 /nfs/dbraw/zinc/38/59/16/1068385916.db2.gz RCLAZJYOHDMGMI-UHFFFAOYSA-N 1 0 444.492 -2.229 20 0 IAADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161467609 1068386170 /nfs/dbraw/zinc/38/61/70/1068386170.db2.gz HDQIWXVJWVKVQE-UHFFFAOYSA-N 1 0 433.387 -1.149 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161468860 1068386078 /nfs/dbraw/zinc/38/60/78/1068386078.db2.gz OLJFZGCTGNBZOZ-AWEZNQCLSA-N 1 0 425.436 -1.055 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161468861 1068385728 /nfs/dbraw/zinc/38/57/28/1068385728.db2.gz OLJFZGCTGNBZOZ-CQSZACIVSA-N 1 0 425.436 -1.055 20 0 IAADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001161478062 1068385992 /nfs/dbraw/zinc/38/59/92/1068385992.db2.gz GQICKSZDUHLWHP-AGNZOJHFSA-N 1 0 439.513 -1.726 20 0 IAADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001161478063 1068386154 /nfs/dbraw/zinc/38/61/54/1068386154.db2.gz GQICKSZDUHLWHP-MROOZSAMSA-N 1 0 439.513 -1.726 20 0 IAADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001161478064 1068386219 /nfs/dbraw/zinc/38/62/19/1068386219.db2.gz GQICKSZDUHLWHP-RAWZRFKISA-N 1 0 439.513 -1.726 20 0 IAADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001161478065 1068385894 /nfs/dbraw/zinc/38/58/94/1068385894.db2.gz GQICKSZDUHLWHP-ZPOYHZNSSA-N 1 0 439.513 -1.726 20 0 IAADRO COC(=O)c1cccc([C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001161489894 1068386676 /nfs/dbraw/zinc/38/66/76/1068386676.db2.gz RELJTEMGRQLXLL-HNNXBMFYSA-N 1 0 433.465 -1.556 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C(=O)CF ZINC001161491368 1068386782 /nfs/dbraw/zinc/38/67/82/1068386782.db2.gz DIPWCFNGQOHLPS-LHLGERLTSA-N 1 0 442.488 -1.438 20 0 IAADRO C[C@@H]1OC2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c2ccccc21 ZINC001161500205 1068386840 /nfs/dbraw/zinc/38/68/40/1068386840.db2.gz KRQXAAKRLFNSCU-AWEZNQCLSA-N 1 0 431.493 -1.097 20 0 IAADRO C[C@H]1OC2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c2ccccc21 ZINC001161500206 1068386617 /nfs/dbraw/zinc/38/66/17/1068386617.db2.gz KRQXAAKRLFNSCU-CQSZACIVSA-N 1 0 431.493 -1.097 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C[C@H]2C(=O)N(C)C ZINC001161506054 1068386748 /nfs/dbraw/zinc/38/67/48/1068386748.db2.gz ADQCJBICEWVVIS-CVEARBPZSA-N 1 0 440.566 -1.204 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C[C@H]2C(=O)N(C)C ZINC001161506057 1068386602 /nfs/dbraw/zinc/38/66/02/1068386602.db2.gz ADQCJBICEWVVIS-HOTGVXAUSA-N 1 0 440.566 -1.204 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C[C@@H]2C(=O)N(C)C ZINC001161506060 1068386522 /nfs/dbraw/zinc/38/65/22/1068386522.db2.gz ADQCJBICEWVVIS-HZPDHXFCSA-N 1 0 440.566 -1.204 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C[C@@H]2C(=O)N(C)C ZINC001161506063 1068386432 /nfs/dbraw/zinc/38/64/32/1068386432.db2.gz ADQCJBICEWVVIS-JKSUJKDBSA-N 1 0 440.566 -1.204 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161506090 1068386481 /nfs/dbraw/zinc/38/64/81/1068386481.db2.gz ALEFRYSWRBJONI-CABCVRRESA-N 1 0 430.513 -1.681 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161506091 1068386867 /nfs/dbraw/zinc/38/68/67/1068386867.db2.gz ALEFRYSWRBJONI-GJZGRUSLSA-N 1 0 430.513 -1.681 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161506092 1068386657 /nfs/dbraw/zinc/38/66/57/1068386657.db2.gz ALEFRYSWRBJONI-HUUCEWRRSA-N 1 0 430.513 -1.681 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161506093 1068386406 /nfs/dbraw/zinc/38/64/06/1068386406.db2.gz ALEFRYSWRBJONI-LSDHHAIUSA-N 1 0 430.513 -1.681 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]2C(=O)N(C)C ZINC001161506443 1068386534 /nfs/dbraw/zinc/38/65/34/1068386534.db2.gz ICOOXJRCSGGFLN-CABCVRRESA-N 1 0 425.530 -1.360 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C(=O)N(C)C ZINC001161506444 1068386450 /nfs/dbraw/zinc/38/64/50/1068386450.db2.gz ICOOXJRCSGGFLN-GJZGRUSLSA-N 1 0 425.530 -1.360 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161507007 1068387080 /nfs/dbraw/zinc/38/70/80/1068387080.db2.gz QWEXAIJFNFJNPI-CVEARBPZSA-N 1 0 429.525 -1.076 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161507008 1068387499 /nfs/dbraw/zinc/38/74/99/1068387499.db2.gz QWEXAIJFNFJNPI-HOTGVXAUSA-N 1 0 429.525 -1.076 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161507009 1068387188 /nfs/dbraw/zinc/38/71/88/1068387188.db2.gz QWEXAIJFNFJNPI-HZPDHXFCSA-N 1 0 429.525 -1.076 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161507010 1068387297 /nfs/dbraw/zinc/38/72/97/1068387297.db2.gz QWEXAIJFNFJNPI-JKSUJKDBSA-N 1 0 429.525 -1.076 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C[C@@H]2C(=O)N(C)C ZINC001161508431 1068387093 /nfs/dbraw/zinc/38/70/93/1068387093.db2.gz ZXUKIXOSRCDMJY-CVEARBPZSA-N 1 0 445.524 -1.291 20 0 IAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C[C@H]2C(=O)N(C)C ZINC001161508432 1068387263 /nfs/dbraw/zinc/38/72/63/1068387263.db2.gz ZXUKIXOSRCDMJY-HOTGVXAUSA-N 1 0 445.524 -1.291 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520869 1068387380 /nfs/dbraw/zinc/38/73/80/1068387380.db2.gz WTRGTEFPJODFBQ-LLVKDONJSA-N 1 0 444.290 -2.274 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2ncc(Br)c2C1 ZINC001161526337 1068387008 /nfs/dbraw/zinc/38/70/08/1068387008.db2.gz MRNBNASUHABOCC-UHFFFAOYSA-N 1 0 430.263 -2.705 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526735 1068387054 /nfs/dbraw/zinc/38/70/54/1068387054.db2.gz JNOGVKPRBRWSEY-NRFANRHFSA-N 1 0 433.484 -1.061 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526736 1068387162 /nfs/dbraw/zinc/38/71/62/1068387162.db2.gz JNOGVKPRBRWSEY-OAQYLSRUSA-N 1 0 433.484 -1.061 20 0 IAADRO COC(=O)[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1c1ccccc1 ZINC001161565604 1068387470 /nfs/dbraw/zinc/38/74/70/1068387470.db2.gz ZTRZRKJVHBMMEX-LIRRHRJNSA-N 1 0 433.465 -1.944 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572676 1068387313 /nfs/dbraw/zinc/38/73/13/1068387313.db2.gz WIUIEIKCOXVSNP-UHFFFAOYSA-N 1 0 430.490 -1.040 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001161599725 1068388007 /nfs/dbraw/zinc/38/80/07/1068388007.db2.gz YCDIGMKTAGAWNY-STQMWFEESA-N 1 0 436.900 -1.563 20 0 IAADRO C[NH+]1CCC(Oc2cc[nH+]c(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2)CC1 ZINC001161859081 1068391028 /nfs/dbraw/zinc/39/10/28/1068391028.db2.gz AZCKKGUNMLYYPJ-LMHBHQSJSA-N 1 0 449.482 -1.407 20 0 IAADRO C[NH+]1CCC(Oc2cc[nH+]c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2)CC1 ZINC001161859086 1068390935 /nfs/dbraw/zinc/39/09/35/1068390935.db2.gz AZCKKGUNMLYYPJ-NHMWIVBRSA-N 1 0 449.482 -1.407 20 0 IAADRO COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC[N@H+](C)C1 ZINC001162060459 1068392483 /nfs/dbraw/zinc/39/24/83/1068392483.db2.gz QDUQMQFSJIPLJB-CYBMUJFWSA-N 1 0 447.535 -1.068 20 0 IAADRO COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC[N@H+](C)C1 ZINC001162060461 1068392527 /nfs/dbraw/zinc/39/25/27/1068392527.db2.gz QDUQMQFSJIPLJB-ZDUSSCGKSA-N 1 0 447.535 -1.068 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(Cl)nc(N2CCOCC2)n1 ZINC001162842880 1068393097 /nfs/dbraw/zinc/39/30/97/1068393097.db2.gz XMEPAKQDHOYVKE-STQMWFEESA-N 1 0 449.903 -1.107 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(Cl)ccc1S(N)(=O)=O ZINC001162844602 1068392925 /nfs/dbraw/zinc/39/29/25/1068392925.db2.gz DSEVZSGXKLJCTB-QWRGUYRKSA-N 1 0 441.901 -1.086 20 0 IAADRO CCNS(=O)(=O)c1ccc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001162844624 1068392859 /nfs/dbraw/zinc/39/28/59/1068392859.db2.gz FLHZGLSWVZEPGD-GJZGRUSLSA-N 1 0 435.510 -1.088 20 0 IAADRO C[C@H]1C(=O)Nc2cnc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)nc2N1C ZINC001162845241 1068392981 /nfs/dbraw/zinc/39/29/81/1068392981.db2.gz MYXZYMQCWCRMRA-JKOKRWQUSA-N 1 0 427.469 -1.215 20 0 IAADRO C[C@@H]1C(=O)Nc2cnc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)nc2N1C ZINC001162845242 1068392830 /nfs/dbraw/zinc/39/28/30/1068392830.db2.gz MYXZYMQCWCRMRA-OSMZGAPFSA-N 1 0 427.469 -1.215 20 0 IAADRO CCNS(=O)(=O)c1cccnc1-n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001162845597 1068393932 /nfs/dbraw/zinc/39/39/32/1068393932.db2.gz QTXRRLCJCYLTEO-KBPBESRZSA-N 1 0 435.510 -1.088 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001162845689 1068393816 /nfs/dbraw/zinc/39/38/16/1068393816.db2.gz ODOAKMZZJUYXSA-GJZGRUSLSA-N 1 0 435.510 -1.136 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc(N2CCC[C@H]2C(N)=O)ncn1 ZINC001162846438 1068393783 /nfs/dbraw/zinc/39/37/83/1068393783.db2.gz XXZUZUAGDJKABA-KKUMJFAQSA-N 1 0 441.496 -1.538 20 0 IAADRO NC(=O)[C@H]1CCCN1c1cc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)ncn1 ZINC001162846439 1068393342 /nfs/dbraw/zinc/39/33/42/1068393342.db2.gz XXZUZUAGDJKABA-ZNMIVQPWSA-N 1 0 441.496 -1.538 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncc(S(N)(=O)=O)cc1F ZINC001162856037 1068393897 /nfs/dbraw/zinc/39/38/97/1068393897.db2.gz AZOJDIJOCREMLP-STQMWFEESA-N 1 0 425.446 -1.600 20 0 IAADRO COC(=O)c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164403490 718841202 /nfs/dbraw/zinc/84/12/02/718841202.db2.gz KDAVLCORYDHSAX-HNNXBMFYSA-N 1 0 425.511 -1.017 20 0 IAADRO COC(=O)c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164403491 718841260 /nfs/dbraw/zinc/84/12/60/718841260.db2.gz KDAVLCORYDHSAX-OAHLLOKOSA-N 1 0 425.511 -1.017 20 0 IAADRO CC(=O)OC[C@H]1O[C@@H](n2cc(NOCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001164439356 1068394988 /nfs/dbraw/zinc/39/49/88/1068394988.db2.gz QFWDDMGSHSHFEG-IXYNUQLISA-N 1 0 444.397 -1.425 20 0 IAADRO NS(=O)(=O)c1ccc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nn1 ZINC001165190761 1068395831 /nfs/dbraw/zinc/39/58/31/1068395831.db2.gz LWUFSWXCQCGBKR-CHWSQXEVSA-N 1 0 445.496 -1.156 20 0 IAADRO NS(=O)(=O)c1ccc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nn1 ZINC001165190762 1068395688 /nfs/dbraw/zinc/39/56/88/1068395688.db2.gz LWUFSWXCQCGBKR-OLZOCXBDSA-N 1 0 445.496 -1.156 20 0 IAADRO NS(=O)(=O)c1ccc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nn1 ZINC001165190763 1068395896 /nfs/dbraw/zinc/39/58/96/1068395896.db2.gz LWUFSWXCQCGBKR-QWHCGFSZSA-N 1 0 445.496 -1.156 20 0 IAADRO COC(=O)c1cnc(N2CCNC(=O)C23C[NH2+]C3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165300673 1068395622 /nfs/dbraw/zinc/39/56/22/1068395622.db2.gz HWRBXICMBVJWMS-UHFFFAOYSA-N 1 0 425.467 -1.833 20 0 IAADRO COC(=O)c1cnc(N2CC[NH2+]C[C@@H]2C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165442378 1068395712 /nfs/dbraw/zinc/39/57/12/1068395712.db2.gz NBFRZIQBZBETRJ-CYBMUJFWSA-N 1 0 428.467 -1.160 20 0 IAADRO COC(=O)c1cnc(N2CC[NH2+]C[C@H]2C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165442379 1068395911 /nfs/dbraw/zinc/39/59/11/1068395911.db2.gz NBFRZIQBZBETRJ-ZDUSSCGKSA-N 1 0 428.467 -1.160 20 0 IAADRO COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(C(=O)N2CCOCC2)c2c1C[NH2+]C2 ZINC001165860853 1068395865 /nfs/dbraw/zinc/39/58/65/1068395865.db2.gz IQGKJVYDRVTTNC-UHFFFAOYSA-N 1 0 436.450 -1.223 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(N2CC[NH2+]CC2)nn1)C(=O)NCC(N)=O ZINC001166894753 1068396454 /nfs/dbraw/zinc/39/64/54/1068396454.db2.gz SNEPTDDCWKOPKX-HOTGVXAUSA-N 1 0 446.556 -1.013 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cncc(N2CC[NH2+]CC2)n1)C(=O)NCC(N)=O ZINC001166896472 1068396214 /nfs/dbraw/zinc/39/62/14/1068396214.db2.gz METFGLKTYLXJRZ-HOTGVXAUSA-N 1 0 446.556 -1.013 20 0 IAADRO COC(=O)c1cnc(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001166967970 1068396951 /nfs/dbraw/zinc/39/69/51/1068396951.db2.gz JOGVYCGXQPLWNF-OLZOCXBDSA-N 1 0 428.467 -1.032 20 0 IAADRO COC(=O)c1cnc(N(C2C[NH2+]C2)S(C)(=O)=O)c(S(=O)(=O)N2CCOCC2)c1 ZINC001166970675 1068396886 /nfs/dbraw/zinc/39/68/86/1068396886.db2.gz SGUMSRMHVQKOFA-UHFFFAOYSA-N 1 0 434.496 -1.373 20 0 IAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001167200575 1067622597 /nfs/dbraw/zinc/62/25/97/1067622597.db2.gz ZPQYWNKBJUECLP-GFCCVEGCSA-N 1 0 444.535 -1.265 20 0 IAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001167200576 1067622625 /nfs/dbraw/zinc/62/26/25/1067622625.db2.gz ZPQYWNKBJUECLP-LBPRGKRZSA-N 1 0 444.535 -1.265 20 0 IAADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169172949 1068009260 /nfs/dbraw/zinc/00/92/60/1068009260.db2.gz APWZGQRDOVFSBX-ADLSKWGTSA-N 1 0 441.485 -2.618 20 0 IAADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169172950 1068009274 /nfs/dbraw/zinc/00/92/74/1068009274.db2.gz APWZGQRDOVFSBX-GWSDIZTDSA-N 1 0 441.485 -2.618 20 0 IAADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169172951 1068009367 /nfs/dbraw/zinc/00/93/67/1068009367.db2.gz APWZGQRDOVFSBX-RUUMJTAPSA-N 1 0 441.485 -2.618 20 0 IAADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169172952 1068009301 /nfs/dbraw/zinc/00/93/01/1068009301.db2.gz APWZGQRDOVFSBX-SNDYUSLUSA-N 1 0 441.485 -2.618 20 0 IAADRO O=C(c1cncc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001169975685 1068012012 /nfs/dbraw/zinc/01/20/12/1068012012.db2.gz KINSSZWQKJTAGM-DRJBRKBZSA-N 1 0 436.509 -1.006 20 0 IAADRO O=C(c1cncc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001169975686 1068011923 /nfs/dbraw/zinc/01/19/23/1068011923.db2.gz KINSSZWQKJTAGM-FKAKKMJLSA-N 1 0 436.509 -1.006 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnn(C)c1=O)c(N)nc2=O ZINC001169980509 1068012460 /nfs/dbraw/zinc/01/24/60/1068012460.db2.gz YPMVFFHKXSGPIT-LBPRGKRZSA-N 1 0 432.441 -1.241 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc(=O)n(C)c1)c(N)nc2=O ZINC001169980870 1068012225 /nfs/dbraw/zinc/01/22/25/1068012225.db2.gz BBTIKTJUMSYZPP-LBPRGKRZSA-N 1 0 432.441 -1.241 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cn(C)c(=O)cn1)c(N)nc2=O ZINC001169983280 1068012312 /nfs/dbraw/zinc/01/23/12/1068012312.db2.gz UOJKNNQQUCKAGJ-ZDUSSCGKSA-N 1 0 432.441 -1.241 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(C)n1)c(N)nc2=O ZINC001169983336 1068012170 /nfs/dbraw/zinc/01/21/70/1068012170.db2.gz XKUQPNXOHHJBNC-ZDUSSCGKSA-N 1 0 432.441 -1.241 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170614098 1068033694 /nfs/dbraw/zinc/03/36/94/1068033694.db2.gz NWOQEXDQPOHABM-MNCOHNSWSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170614099 1068033568 /nfs/dbraw/zinc/03/35/68/1068033568.db2.gz NWOQEXDQPOHABM-QHLKRXENSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170614100 1068033614 /nfs/dbraw/zinc/03/36/14/1068033614.db2.gz NWOQEXDQPOHABM-ULRVOZHWSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170614101 1068033667 /nfs/dbraw/zinc/03/36/67/1068033667.db2.gz NWOQEXDQPOHABM-USYRYXCBSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170629509 1068034121 /nfs/dbraw/zinc/03/41/21/1068034121.db2.gz PBJRHSJGWVPEJJ-OLZOCXBDSA-N 1 0 443.501 -1.375 20 0 IAADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170629511 1068034216 /nfs/dbraw/zinc/03/42/16/1068034216.db2.gz PBJRHSJGWVPEJJ-STQMWFEESA-N 1 0 443.501 -1.375 20 0 IAADRO C[NH+]1CCC(NC(=O)c2ccc(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nn2)CC1 ZINC001170688395 1068035161 /nfs/dbraw/zinc/03/51/61/1068035161.db2.gz NUFACWGMUORKTQ-INIZCTEOSA-N 1 0 444.496 -1.053 20 0 IAADRO C[NH+]1CCC(COc2cnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)nc2)CC1 ZINC001171261830 1068055450 /nfs/dbraw/zinc/05/54/50/1068055450.db2.gz AVOGAGZERITGBX-VDHUWJSZSA-N 1 0 447.496 -1.090 20 0 IAADRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171261867 1068055688 /nfs/dbraw/zinc/05/56/88/1068055688.db2.gz CNHYGAKXAABPPQ-GFOCRRMGSA-N 1 0 446.512 -1.327 20 0 IAADRO C[NH+](C)CCCNC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171262434 1068055990 /nfs/dbraw/zinc/05/59/90/1068055990.db2.gz MFSASAQBJXNDBP-NVQRDWNXSA-N 1 0 447.496 -1.525 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc(OCC[NH+]4CCCC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263277 1068056023 /nfs/dbraw/zinc/05/60/23/1068056023.db2.gz XVHPIDORFYICNH-BDQAWRDZSA-N 1 0 433.469 -1.336 20 0 IAADRO Cc1cc(OC2CC[NH2+]CC2)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)n1 ZINC001171263364 1068055960 /nfs/dbraw/zinc/05/59/60/1068055960.db2.gz ZJRZJZREJOXMGN-BASLNEPJSA-N 1 0 433.469 -1.372 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3cncc(OCC[NH+]4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263389 1068056097 /nfs/dbraw/zinc/05/60/97/1068056097.db2.gz ZOIMYWNARLTWQQ-BDQAWRDZSA-N 1 0 433.469 -1.336 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc4c([C@@H]5CCC[NH2+]5)nnn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263912 1068056716 /nfs/dbraw/zinc/05/67/16/1068056716.db2.gz WQGKTMXACABCHO-KVICHTRESA-N 1 0 428.453 -1.134 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc4c([C@H]5CCC[NH2+]5)nnn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263915 1068056745 /nfs/dbraw/zinc/05/67/45/1068056745.db2.gz WQGKTMXACABCHO-RUUWIURISA-N 1 0 428.453 -1.134 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266371 1068056775 /nfs/dbraw/zinc/05/67/75/1068056775.db2.gz GZADOCSUECHBLD-KLICCBINSA-N 1 0 430.465 -1.390 20 0 IAADRO COC(=O)[C@@H](C[NH3+])Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1 ZINC001171266788 1068057314 /nfs/dbraw/zinc/05/73/14/1068057314.db2.gz MKBRETFYKRXQIV-OPTNGKCXSA-N 1 0 433.465 -1.145 20 0 IAADRO COC(=O)[C@H](C[NH3+])Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1 ZINC001171266789 1068057556 /nfs/dbraw/zinc/05/75/56/1068057556.db2.gz MKBRETFYKRXQIV-SEYFSXTGSA-N 1 0 433.465 -1.145 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3cccc4nc([C@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266841 1068057517 /nfs/dbraw/zinc/05/75/17/1068057517.db2.gz ORWZNJWRRYIFPB-GTBHSOEESA-N 1 0 443.464 -1.292 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3cccc4nc([C@@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266842 1068057341 /nfs/dbraw/zinc/05/73/41/1068057341.db2.gz ORWZNJWRRYIFPB-KIVPVIKRSA-N 1 0 443.464 -1.292 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc4nc([C@@H]5CC[NH2+]C5)nn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171272376 1068057635 /nfs/dbraw/zinc/05/76/35/1068057635.db2.gz VVWGGGYOKGWKAA-LOBXECARSA-N 1 0 428.453 -1.481 20 0 IAADRO N[C@H]1[C@H](n2ccc(Nc3ccc4nc([C@H]5CC[NH2+]C5)nn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171272378 1068057662 /nfs/dbraw/zinc/05/76/62/1068057662.db2.gz VVWGGGYOKGWKAA-XJBZJSHESA-N 1 0 428.453 -1.481 20 0 IAADRO C[C@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172135564 1068061861 /nfs/dbraw/zinc/06/18/61/1068061861.db2.gz VMDPUKFSQVIXMG-AQUVMHGZSA-N 1 0 447.536 -1.139 20 0 IAADRO COC(=O)[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268517 1068061530 /nfs/dbraw/zinc/06/15/30/1068061530.db2.gz URWVRUAQJONBGX-HRCADAONSA-N 1 0 448.476 -1.395 20 0 IAADRO COC(=O)[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268521 1068061678 /nfs/dbraw/zinc/06/16/78/1068061678.db2.gz URWVRUAQJONBGX-OWCLPIDISA-N 1 0 448.476 -1.395 20 0 IAADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001172886172 1068062227 /nfs/dbraw/zinc/06/22/27/1068062227.db2.gz DRABDFIYJFPEET-BNEJOLLZSA-N 1 0 440.497 -1.036 20 0 IAADRO CC(C)(C)OC(=O)CN1CCC([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001172892819 1068062455 /nfs/dbraw/zinc/06/24/55/1068062455.db2.gz SMVUKADVFSVPRY-HNNXBMFYSA-N 1 0 425.530 -1.025 20 0 IAADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2=O)c(OC)c1 ZINC001173020770 1068062803 /nfs/dbraw/zinc/06/28/03/1068062803.db2.gz JRUAZVTYZFWCOG-GLRQCWACSA-N 1 0 426.466 -1.416 20 0 IAADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1 ZINC001173020771 1068063266 /nfs/dbraw/zinc/06/32/66/1068063266.db2.gz JRUAZVTYZFWCOG-KEIZYCPQSA-N 1 0 426.466 -1.416 20 0 IAADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2=O)c(OC)c1 ZINC001173020772 1068063068 /nfs/dbraw/zinc/06/30/68/1068063068.db2.gz JRUAZVTYZFWCOG-LAFQSHRPSA-N 1 0 426.466 -1.416 20 0 IAADRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1 ZINC001173020773 1068062706 /nfs/dbraw/zinc/06/27/06/1068062706.db2.gz JRUAZVTYZFWCOG-NQIGFWFUSA-N 1 0 426.466 -1.416 20 0 IAADRO COc1ccc(CN2CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC2=O)c(OC)c1 ZINC001173023197 1068063017 /nfs/dbraw/zinc/06/30/17/1068063017.db2.gz CZNNBJYXGOUHIA-AWEZNQCLSA-N 1 0 435.481 -1.498 20 0 IAADRO COc1ccc(CN2CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC2=O)c(OC)c1 ZINC001173023198 1068062828 /nfs/dbraw/zinc/06/28/28/1068062828.db2.gz CZNNBJYXGOUHIA-CQSZACIVSA-N 1 0 435.481 -1.498 20 0 IAADRO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)c1ccccc1 ZINC001173507288 1068063094 /nfs/dbraw/zinc/06/30/94/1068063094.db2.gz LKTJHABGSRRAIP-CABCVRRESA-N 1 0 433.465 -1.860 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)c1ccccc1 ZINC001173507289 1068062916 /nfs/dbraw/zinc/06/29/16/1068062916.db2.gz LKTJHABGSRRAIP-GJZGRUSLSA-N 1 0 433.465 -1.860 20 0 IAADRO COC(=O)[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)c1ccccc1 ZINC001173507290 1068062883 /nfs/dbraw/zinc/06/28/83/1068062883.db2.gz LKTJHABGSRRAIP-HUUCEWRRSA-N 1 0 433.465 -1.860 20 0 IAADRO COC(=O)[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)c1ccccc1 ZINC001173507291 1068063143 /nfs/dbraw/zinc/06/31/43/1068063143.db2.gz LKTJHABGSRRAIP-LSDHHAIUSA-N 1 0 433.465 -1.860 20 0 IAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173574374 1068063557 /nfs/dbraw/zinc/06/35/57/1068063557.db2.gz UJCLUMRIIWLOID-LQSBQDLSSA-N 1 0 429.470 -1.112 20 0 IAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173574376 1068063659 /nfs/dbraw/zinc/06/36/59/1068063659.db2.gz UJCLUMRIIWLOID-VZKILSJISA-N 1 0 429.470 -1.112 20 0 IAADRO Cc1cnccc1CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001175886468 1068065140 /nfs/dbraw/zinc/06/51/40/1068065140.db2.gz XUXKXPRYMXNSCL-VBVJRUAFSA-N 1 0 429.437 -1.270 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1C ZINC001175932069 1068065364 /nfs/dbraw/zinc/06/53/64/1068065364.db2.gz JAWVRINBVZUPIX-INIZCTEOSA-N 1 0 428.559 -1.080 20 0 IAADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1C ZINC001175932072 1068065086 /nfs/dbraw/zinc/06/50/86/1068065086.db2.gz JAWVRINBVZUPIX-MRXNPFEDSA-N 1 0 428.559 -1.080 20 0 IAADRO Cc1cncc(CCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001176080972 1068065406 /nfs/dbraw/zinc/06/54/06/1068065406.db2.gz IQUGNVHVOYMGQP-VBVJRUAFSA-N 1 0 429.437 -1.270 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1(c2ccccn2)CC1 ZINC001176806771 1068066319 /nfs/dbraw/zinc/06/63/19/1068066319.db2.gz SWEGTZZUXMVWAP-NZLORHDLSA-N 1 0 427.421 -1.480 20 0 IAADRO Cc1nc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c(C)s1 ZINC001177275118 1068067201 /nfs/dbraw/zinc/06/72/01/1068067201.db2.gz MEWMHFRCUVLIRN-NZLORHDLSA-N 1 0 435.466 -1.291 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1(c2ccncc2)CC1 ZINC001177610971 1068067732 /nfs/dbraw/zinc/06/77/32/1068067732.db2.gz SQNVUFIJZHLTIQ-QQHRNGFRSA-N 1 0 427.421 -1.480 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)Cc1cc(Cl)ccn1 ZINC001177660743 1068067683 /nfs/dbraw/zinc/06/76/83/1068067683.db2.gz RONADKPLMFDCSM-NZLORHDLSA-N 1 0 435.828 -1.316 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1=Cc2cccn2C1=O ZINC001177825559 1068068124 /nfs/dbraw/zinc/06/81/24/1068068124.db2.gz HWIXDSQVBPQIKW-LSGKAKCFSA-N 1 0 427.377 -2.068 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)Cc1ccc(C2CC2)cn1 ZINC001177966449 1068068345 /nfs/dbraw/zinc/06/83/45/1068068345.db2.gz IJFMEHXIBCQENI-OZSDWXKXSA-N 1 0 441.448 -1.092 20 0 IAADRO Cc1ccnc(C2(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)CC2)c1 ZINC001178071371 1068068203 /nfs/dbraw/zinc/06/82/03/1068068203.db2.gz ONBHDPCWJDDNEL-PCYKNENESA-N 1 0 441.448 -1.171 20 0 IAADRO Cc1ccc(C2(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)CC2)nc1 ZINC001178146870 1068068536 /nfs/dbraw/zinc/06/85/36/1068068536.db2.gz WLZLDBYLUFIHMX-PCYKNENESA-N 1 0 441.448 -1.171 20 0 IAADRO Cc1cccnc1C1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001178209352 1068068749 /nfs/dbraw/zinc/06/87/49/1068068749.db2.gz UEUKOMKMPJJURV-YAMOITTJSA-N 1 0 441.448 -1.171 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H](c1ccccn1)C1CC1 ZINC001178245032 1068068601 /nfs/dbraw/zinc/06/86/01/1068068601.db2.gz ZSNZWOOKEWZPHN-UPPOPKNVSA-N 1 0 441.448 -1.018 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H](c1ccccn1)C1CC1 ZINC001178245040 1068068503 /nfs/dbraw/zinc/06/85/03/1068068503.db2.gz ZSNZWOOKEWZPHN-XDJZACDYSA-N 1 0 441.448 -1.018 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1Cc2ccccc2C1 ZINC001178545716 1068069046 /nfs/dbraw/zinc/06/90/46/1068069046.db2.gz XIKCQRUKVMEIMO-DZDCQFRTSA-N 1 0 426.433 -1.192 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1Cc2ccccc2O1 ZINC001178941046 1068070147 /nfs/dbraw/zinc/07/01/47/1068070147.db2.gz FIDFZDWGOPLZBF-BDIZYMIYSA-N 1 0 428.405 -1.603 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1Cc2ccccc2O1 ZINC001178941047 1068070436 /nfs/dbraw/zinc/07/04/36/1068070436.db2.gz FIDFZDWGOPLZBF-YJDSPBOISA-N 1 0 428.405 -1.603 20 0 IAADRO CC(=O)N1CCC([NH+]2CCC(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)CC1 ZINC001179017066 1068070853 /nfs/dbraw/zinc/07/08/53/1068070853.db2.gz DYWMGADRORZJDC-CBUQMUQRSA-N 1 0 443.541 -1.330 20 0 IAADRO C[N@@H+]1C[C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161414 1068071459 /nfs/dbraw/zinc/07/14/59/1068071459.db2.gz UQPWWGGLULOAOR-FXUDXRNXSA-N 1 0 439.561 -1.394 20 0 IAADRO C[N@@H+]1C[C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161418 1068071204 /nfs/dbraw/zinc/07/12/04/1068071204.db2.gz UQPWWGGLULOAOR-LVQVYYBASA-N 1 0 439.561 -1.394 20 0 IAADRO C[N@@H+]1C[C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161419 1068071363 /nfs/dbraw/zinc/07/13/63/1068071363.db2.gz UQPWWGGLULOAOR-UGUYLWEFSA-N 1 0 439.561 -1.394 20 0 IAADRO C[N@@H+]1C[C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161420 1068071130 /nfs/dbraw/zinc/07/11/30/1068071130.db2.gz UQPWWGGLULOAOR-WCVJEAGWSA-N 1 0 439.561 -1.394 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCO)c(N)nc2=O ZINC001179577970 1068072651 /nfs/dbraw/zinc/07/26/51/1068072651.db2.gz OGTJPVRJMYEXLN-CMPLNLGQSA-N 1 0 426.430 -1.941 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCO)c(N)nc2=O ZINC001179577978 1068072499 /nfs/dbraw/zinc/07/24/99/1068072499.db2.gz OGTJPVRJMYEXLN-JQWIXIFHSA-N 1 0 426.430 -1.941 20 0 IAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCC(=O)N1CCNC(=O)CC1)CC2 ZINC001180263785 1068073828 /nfs/dbraw/zinc/07/38/28/1068073828.db2.gz JFAAJUGDJULZES-UHFFFAOYSA-N 1 0 434.497 -1.021 20 0 IAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180263908 1068073754 /nfs/dbraw/zinc/07/37/54/1068073754.db2.gz MEBLOVCNOKZDQS-UHFFFAOYSA-N 1 0 427.483 -1.263 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CN1CCc2ccccc21 ZINC001180290055 1068073963 /nfs/dbraw/zinc/07/39/63/1068073963.db2.gz IXPMHOWABVBKLC-OZSDWXKXSA-N 1 0 441.448 -1.544 20 0 IAADRO O=C(CN1C(=O)CNC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001180379849 1068074111 /nfs/dbraw/zinc/07/41/11/1068074111.db2.gz CKVADGXOQGGISR-QWHCGFSZSA-N 1 0 434.478 -1.630 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2C(=O)CNC2=O)c2nonc21 ZINC001180386384 1068074151 /nfs/dbraw/zinc/07/41/51/1068074151.db2.gz KFAWEJCPSOLVEX-UHFFFAOYSA-N 1 0 425.427 -1.683 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CSCC(=O)N2)c2nonc21 ZINC001180552443 1068075135 /nfs/dbraw/zinc/07/51/35/1068075135.db2.gz BTDNDHKNTMLYCM-SECBINFHSA-N 1 0 428.496 -1.004 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CSCC(=O)N2)c2nonc21 ZINC001180552445 1068075017 /nfs/dbraw/zinc/07/50/17/1068075017.db2.gz BTDNDHKNTMLYCM-VIFPVBQESA-N 1 0 428.496 -1.004 20 0 IAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CN1CCS(=O)(=O)CC1)CC2 ZINC001180594558 1068075935 /nfs/dbraw/zinc/07/59/35/1068075935.db2.gz RTZUCQQOABDSAV-UHFFFAOYSA-N 1 0 429.587 -1.586 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612582 1068075621 /nfs/dbraw/zinc/07/56/21/1068075621.db2.gz ZXRAGDBHFGOSFQ-HOTGVXAUSA-N 1 0 433.513 -1.499 20 0 IAADRO CC(=O)N1CCC(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001180657283 1068076140 /nfs/dbraw/zinc/07/61/40/1068076140.db2.gz PHVGTHAKITZYDS-VBVJRUAFSA-N 1 0 449.468 -1.958 20 0 IAADRO CC(=O)N1CCC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001180685621 1068075989 /nfs/dbraw/zinc/07/59/89/1068075989.db2.gz YSQMCNHAOQVCBI-JISVWNMTSA-N 1 0 435.441 -2.348 20 0 IAADRO CC(=O)N1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001180685632 1068076020 /nfs/dbraw/zinc/07/60/20/1068076020.db2.gz YSQMCNHAOQVCBI-ZOKLZRJQSA-N 1 0 435.441 -2.348 20 0 IAADRO CN(CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001180947456 1068076756 /nfs/dbraw/zinc/07/67/56/1068076756.db2.gz WFHNGCPUEMUDLZ-VBVJRUAFSA-N 1 0 429.437 -1.470 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C(=O)CCc1ccccc1 ZINC001180967708 1068076813 /nfs/dbraw/zinc/07/68/13/1068076813.db2.gz HXBMHWWTCUYCPQ-DZDCQFRTSA-N 1 0 442.432 -1.405 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1COC1)c(N)nc2=O ZINC001181009523 1068076905 /nfs/dbraw/zinc/07/69/05/1068076905.db2.gz GBXYEDCBRIRICR-NWDGAFQWSA-N 1 0 438.441 -1.677 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1COC1)c(N)nc2=O ZINC001181009524 1068077406 /nfs/dbraw/zinc/07/74/06/1068077406.db2.gz GBXYEDCBRIRICR-RYUDHWBXSA-N 1 0 438.441 -1.677 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1COC1)C(N)=O ZINC001181012100 1068077214 /nfs/dbraw/zinc/07/72/14/1068077214.db2.gz XVUYZVUQACLKQW-JYJNAYRXSA-N 1 0 425.530 -1.136 20 0 IAADRO CN1C(=O)C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)NC1=O ZINC001181132049 1068077634 /nfs/dbraw/zinc/07/76/34/1068077634.db2.gz TXJCCJHXLQEVTQ-MELADBBJSA-N 1 0 448.505 -1.242 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC(=O)N(C)C(=O)N2)c2nonc21 ZINC001181134504 1068077578 /nfs/dbraw/zinc/07/75/78/1068077578.db2.gz DMNAPKPZRMYDGG-VIFPVBQESA-N 1 0 439.454 -1.295 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H](C)O)C(N)=O ZINC001181356569 1068078060 /nfs/dbraw/zinc/07/80/60/1068078060.db2.gz WJOVZPCJFITTBL-AESZEHBQSA-N 1 0 427.546 -1.012 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](C)O)C(N)=O ZINC001181356578 1068078226 /nfs/dbraw/zinc/07/82/26/1068078226.db2.gz WJOVZPCJFITTBL-JKQORVJESA-N 1 0 427.546 -1.012 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H](C)O)c(N)nc2=O ZINC001181357584 1068078003 /nfs/dbraw/zinc/07/80/03/1068078003.db2.gz QMEYMXBJTVLWSK-GMXVVIOVSA-N 1 0 440.457 -1.552 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H](C)O)c(N)nc2=O ZINC001181357589 1068077973 /nfs/dbraw/zinc/07/79/73/1068077973.db2.gz QMEYMXBJTVLWSK-GVXVVHGQSA-N 1 0 440.457 -1.552 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H](C)O)c(N)nc2=O ZINC001181357590 1068077944 /nfs/dbraw/zinc/07/79/44/1068077944.db2.gz QMEYMXBJTVLWSK-MDZLAQPJSA-N 1 0 440.457 -1.552 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H](C)O)c(N)nc2=O ZINC001181357592 1068078251 /nfs/dbraw/zinc/07/82/51/1068078251.db2.gz QMEYMXBJTVLWSK-NTZNESFSSA-N 1 0 440.457 -1.552 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C(=O)Cc1ccccc1 ZINC001181379513 1068078024 /nfs/dbraw/zinc/07/80/24/1068078024.db2.gz HGBIPDQXFBZFJX-LZDVPDMXSA-N 1 0 428.405 -1.795 20 0 IAADRO COC(=O)CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001181390423 1068078118 /nfs/dbraw/zinc/07/81/18/1068078118.db2.gz YUEMTBODFMNVAQ-ZQIUZPCESA-N 1 0 441.529 -1.220 20 0 IAADRO CC(=O)OCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001181405599 1068078079 /nfs/dbraw/zinc/07/80/79/1068078079.db2.gz FVJXRTNMVGVHKS-ZOBUZTSGSA-N 1 0 441.529 -1.220 20 0 IAADRO CO[C@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181459114 1068078186 /nfs/dbraw/zinc/07/81/86/1068078186.db2.gz VMAFNAXWANHGCH-GRYCIOLGSA-N 1 0 440.457 -1.288 20 0 IAADRO CO[C@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181459116 1068078089 /nfs/dbraw/zinc/07/80/89/1068078089.db2.gz VMAFNAXWANHGCH-WOPDTQHZSA-N 1 0 440.457 -1.288 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(O)CC1)c(N)nc2=O ZINC001181531968 1068078714 /nfs/dbraw/zinc/07/87/14/1068078714.db2.gz QPULSFGYMXVSMZ-QWRGUYRKSA-N 1 0 438.441 -1.798 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(O)CC1)c(N)nc2=O ZINC001181531969 1068078549 /nfs/dbraw/zinc/07/85/49/1068078549.db2.gz QPULSFGYMXVSMZ-WDEREUQCSA-N 1 0 438.441 -1.798 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CC1)C(N)=O ZINC001181532606 1068078389 /nfs/dbraw/zinc/07/83/89/1068078389.db2.gz UIIIAIGQMSCDPK-KKUMJFAQSA-N 1 0 425.530 -1.258 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1(c2ccccc2)COC1 ZINC001181560353 1068078404 /nfs/dbraw/zinc/07/84/04/1068078404.db2.gz WETSWDDBQQJEHY-CTWCOEIASA-N 1 0 442.432 -1.639 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCO1)c(N)nc2=O ZINC001181585243 1068078434 /nfs/dbraw/zinc/07/84/34/1068078434.db2.gz HCLUVGXKUFAOLM-QJPTWQEYSA-N 1 0 438.441 -1.534 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCO1)c(N)nc2=O ZINC001181585248 1068078675 /nfs/dbraw/zinc/07/86/75/1068078675.db2.gz HCLUVGXKUFAOLM-SDDRHHMPSA-N 1 0 438.441 -1.534 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCO1)c(N)nc2=O ZINC001181585249 1068078466 /nfs/dbraw/zinc/07/84/66/1068078466.db2.gz HCLUVGXKUFAOLM-SRVKXCTJSA-N 1 0 438.441 -1.534 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCO1)c(N)nc2=O ZINC001181585250 1068078358 /nfs/dbraw/zinc/07/83/58/1068078358.db2.gz HCLUVGXKUFAOLM-TUAOUCFPSA-N 1 0 438.441 -1.534 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)COCCO)C(N)=O ZINC001181800605 1068079450 /nfs/dbraw/zinc/07/94/50/1068079450.db2.gz QWYAOEKOKGOEGA-ZOBUZTSGSA-N 1 0 443.545 -1.774 20 0 IAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1O ZINC001182017339 1068079845 /nfs/dbraw/zinc/07/98/45/1068079845.db2.gz NQWXMISUMHKALT-GJIZYBQMSA-N 1 0 431.497 -1.031 20 0 IAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1O ZINC001182017340 1068079798 /nfs/dbraw/zinc/07/97/98/1068079798.db2.gz NQWXMISUMHKALT-MSZAKDFVSA-N 1 0 431.497 -1.031 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(O)CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001182032029 1068079586 /nfs/dbraw/zinc/07/95/86/1068079586.db2.gz GEZLWZFAZJISIW-GJZGRUSLSA-N 1 0 425.530 -1.434 20 0 IAADRO CC(=O)N[C@H](CCO)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182118400 1068079646 /nfs/dbraw/zinc/07/96/46/1068079646.db2.gz IILSRHAFTFTHOU-ARFHVFGLSA-N 1 0 437.522 -1.295 20 0 IAADRO CC(=O)N[C@@H](CCO)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182118403 1068079769 /nfs/dbraw/zinc/07/97/69/1068079769.db2.gz IILSRHAFTFTHOU-HRCADAONSA-N 1 0 437.522 -1.295 20 0 IAADRO CC(=O)N[C@H](CCO)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182140128 1068079991 /nfs/dbraw/zinc/07/99/91/1068079991.db2.gz VYRBPVZRWXBFIT-LLVKDONJSA-N 1 0 428.471 -1.348 20 0 IAADRO CC(=O)N[C@@H](CCO)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182140133 1068080301 /nfs/dbraw/zinc/08/03/01/1068080301.db2.gz VYRBPVZRWXBFIT-NSHDSACASA-N 1 0 428.471 -1.348 20 0 IAADRO C[C@@]1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1(Cl)Cl ZINC001182142868 1068080209 /nfs/dbraw/zinc/08/02/09/1068080209.db2.gz KOEVRTRPEJXJDY-OCSQOMDZSA-N 1 0 433.252 -1.023 20 0 IAADRO C[C@]1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1(Cl)Cl ZINC001182142871 1068080186 /nfs/dbraw/zinc/08/01/86/1068080186.db2.gz KOEVRTRPEJXJDY-XLOYOWQGSA-N 1 0 433.252 -1.023 20 0 IAADRO COc1cc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)ccc1C ZINC001182303718 1068080830 /nfs/dbraw/zinc/08/08/30/1068080830.db2.gz CJVYMKZAQLVAKA-OZSDWXKXSA-N 1 0 444.448 -1.047 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182459960 1068081454 /nfs/dbraw/zinc/08/14/54/1068081454.db2.gz NOMZXOQAVFDKDM-BIZSQDOBSA-N 1 0 447.452 -2.348 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182459961 1068081699 /nfs/dbraw/zinc/08/16/99/1068081699.db2.gz NOMZXOQAVFDKDM-RTAVUBPPSA-N 1 0 447.452 -2.348 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182559462 1068081965 /nfs/dbraw/zinc/08/19/65/1068081965.db2.gz NHTJPVWZKAVPTJ-YJDSPBOISA-N 1 0 433.469 -1.732 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](O)C1)C(N)=O ZINC001182648227 1068082485 /nfs/dbraw/zinc/08/24/85/1068082485.db2.gz DXKOESCOOMGTEW-WOYTXXSLSA-N 1 0 439.557 -1.012 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)Cc1ccc2c(c1)OCC2 ZINC001182653258 1068082256 /nfs/dbraw/zinc/08/22/56/1068082256.db2.gz SHHGUGJKELKFQD-OZSDWXKXSA-N 1 0 442.432 -1.429 20 0 IAADRO O=C(C1CS(=O)(=O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182813933 1068083027 /nfs/dbraw/zinc/08/30/27/1068083027.db2.gz SDUQSPGVBRDTTK-UONOGXRCSA-N 1 0 426.520 -1.138 20 0 IAADRO CN(CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)S(C)(=O)=O ZINC001182878547 1068083454 /nfs/dbraw/zinc/08/34/54/1068083454.db2.gz UTCJXZCKIDGEKB-UONOGXRCSA-N 1 0 443.551 -1.291 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN(C)S(C)(=O)=O)c2nonc21 ZINC001182883181 1068083482 /nfs/dbraw/zinc/08/34/82/1068083482.db2.gz KNYQHWLMTANBON-UHFFFAOYSA-N 1 0 434.500 -1.344 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C(=O)c1ccc(Cl)cc1 ZINC001182896962 1068083317 /nfs/dbraw/zinc/08/33/17/1068083317.db2.gz LBONVCJZOVHSSG-HYUUQROLSA-N 1 0 448.823 -1.070 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2CN(S(C)(=O)=O)C2)c2nonc21 ZINC001183026662 1068084135 /nfs/dbraw/zinc/08/41/35/1068084135.db2.gz TXNDRFZOLQSSBS-UHFFFAOYSA-N 1 0 446.511 -1.344 20 0 IAADRO CC(=O)SC[C@@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001183133404 1068084050 /nfs/dbraw/zinc/08/40/50/1068084050.db2.gz XIWPSBGLHZROJL-FEXOXLQZSA-N 1 0 426.455 -1.691 20 0 IAADRO CC(=O)N1CSC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001183139525 1068084622 /nfs/dbraw/zinc/08/46/22/1068084622.db2.gz RMZNVSAKQVOMFI-IEUWZBGXSA-N 1 0 439.454 -2.685 20 0 IAADRO CCN1CCN(C(=O)N[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)c2ccccc2)C(=O)C1=O ZINC001183153592 1068084559 /nfs/dbraw/zinc/08/45/59/1068084559.db2.gz MGSZRLJGUSCIIZ-CQSZACIVSA-N 1 0 439.494 -1.125 20 0 IAADRO CCOC(=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001183253677 1068084606 /nfs/dbraw/zinc/08/46/06/1068084606.db2.gz IEBXJTXEEPCRNA-KKUMJFAQSA-N 1 0 441.529 -1.220 20 0 IAADRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)NCCN(CC[NH3+])N(O)N=O)=C([C@H]3CCCO3)S[C@H]12 ZINC001183464413 1068084787 /nfs/dbraw/zinc/08/47/87/1068084787.db2.gz VJOKHUBSJDZPKG-OJLPPKNESA-N 1 0 430.487 -1.046 20 0 IAADRO C[C@H](OCc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001183495524 1068084970 /nfs/dbraw/zinc/08/49/70/1068084970.db2.gz YYJOEHQXGAJVFT-UJTCXDOBSA-N 1 0 444.448 -1.001 20 0 IAADRO CC[C@H]1CCN(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1=O ZINC001183672603 1068085376 /nfs/dbraw/zinc/08/53/76/1068085376.db2.gz GPZBJWSRKXZBDD-SAIRCXCLSA-N 1 0 435.441 -2.348 20 0 IAADRO CC[C@@H]1CCN(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1=O ZINC001183672616 1068085236 /nfs/dbraw/zinc/08/52/36/1068085236.db2.gz GPZBJWSRKXZBDD-WBLDSSICSA-N 1 0 435.441 -2.348 20 0 IAADRO CC(=O)N[C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@H](C)O ZINC001183697244 1068085453 /nfs/dbraw/zinc/08/54/53/1068085453.db2.gz CWMZWSRLQXFFFO-NWLYGAKOSA-N 1 0 437.522 -1.297 20 0 IAADRO CC(=O)N[C@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)[C@@H](C)O ZINC001183704083 1068085762 /nfs/dbraw/zinc/08/57/62/1068085762.db2.gz SERAEZMKBPDQDY-RNCFNFMXSA-N 1 0 428.471 -1.350 20 0 IAADRO CC(C)N(C(=O)C[C@@H]1NC(=O)CNC1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001183716772 1068085817 /nfs/dbraw/zinc/08/58/17/1068085817.db2.gz CZAFORXMVOEILC-INIZCTEOSA-N 1 0 445.524 -1.253 20 0 IAADRO O=C(C[C@@H]1NC(=O)CNC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183718866 1068086255 /nfs/dbraw/zinc/08/62/55/1068086255.db2.gz QZBCITQEMKAFPE-MELADBBJSA-N 1 0 448.505 -2.178 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@@H]2NC(=O)CNC2=O)c2nonc21 ZINC001183731625 1068086486 /nfs/dbraw/zinc/08/64/86/1068086486.db2.gz MDCRPZDWYWVXCW-VIFPVBQESA-N 1 0 439.454 -2.231 20 0 IAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)NC1=O ZINC001184065297 1068087630 /nfs/dbraw/zinc/08/76/30/1068087630.db2.gz ZDWAYHVWKKFJDK-ZFWWWQNUSA-N 1 0 445.524 -1.524 20 0 IAADRO CC(=O)N1CCCC[C@@H]1CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001184126909 1068087956 /nfs/dbraw/zinc/08/79/56/1068087956.db2.gz MOEKODLOUOTNJB-OWDTUVHZSA-N 1 0 449.468 -1.816 20 0 IAADRO CC(=O)N1CCCC[C@H]1CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001184126911 1068088183 /nfs/dbraw/zinc/08/81/83/1068088183.db2.gz MOEKODLOUOTNJB-PBRPVXPMSA-N 1 0 449.468 -1.816 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001184442281 1068088642 /nfs/dbraw/zinc/08/86/42/1068088642.db2.gz GJMFPJQHOUFUHW-CXECBNLGSA-N 1 0 447.529 -1.378 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001184442284 1068088708 /nfs/dbraw/zinc/08/87/08/1068088708.db2.gz GJMFPJQHOUFUHW-FGIIDVPQSA-N 1 0 447.529 -1.378 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001184442285 1068088379 /nfs/dbraw/zinc/08/83/79/1068088379.db2.gz GJMFPJQHOUFUHW-LFTXJNCRSA-N 1 0 447.529 -1.378 20 0 IAADRO CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001184442286 1068088528 /nfs/dbraw/zinc/08/85/28/1068088528.db2.gz GJMFPJQHOUFUHW-WTUOYXTGSA-N 1 0 447.529 -1.378 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1[nH]c(=O)ccc1Cl ZINC001184815510 1068089105 /nfs/dbraw/zinc/08/91/05/1068089105.db2.gz AOIVNDIHAIHJOE-NZDZXGCSSA-N 1 0 437.800 -2.113 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC3)C1=O ZINC001185251283 1068089523 /nfs/dbraw/zinc/08/95/23/1068089523.db2.gz MLLKMFYKRXYEJE-JXFKEZNVSA-N 1 0 441.598 -1.035 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC3)C1=O ZINC001185251284 1068090304 /nfs/dbraw/zinc/09/03/04/1068090304.db2.gz MLLKMFYKRXYEJE-OXJNMPFZSA-N 1 0 441.598 -1.035 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC3)C1=O ZINC001185251285 1068090134 /nfs/dbraw/zinc/09/01/34/1068090134.db2.gz MLLKMFYKRXYEJE-OXQOHEQNSA-N 1 0 441.598 -1.035 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC3)C1=O ZINC001185251286 1068090015 /nfs/dbraw/zinc/09/00/15/1068090015.db2.gz MLLKMFYKRXYEJE-UZLBHIALSA-N 1 0 441.598 -1.035 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001185263353 1068090222 /nfs/dbraw/zinc/09/02/22/1068090222.db2.gz UGPPQJNBNRHPFL-FWCYYJLNSA-N 1 0 427.523 -1.237 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001185263355 1068089970 /nfs/dbraw/zinc/08/99/70/1068089970.db2.gz UGPPQJNBNRHPFL-KYJUOOMLSA-N 1 0 427.523 -1.237 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001185263356 1068090097 /nfs/dbraw/zinc/09/00/97/1068090097.db2.gz UGPPQJNBNRHPFL-LIKKTTQLSA-N 1 0 427.523 -1.237 20 0 IAADRO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001185263357 1068090441 /nfs/dbraw/zinc/09/04/41/1068090441.db2.gz UGPPQJNBNRHPFL-SGNPGRMLSA-N 1 0 427.523 -1.237 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1scnc1C1CC1 ZINC001185694306 1068092052 /nfs/dbraw/zinc/09/20/52/1068092052.db2.gz BKNHYXPTVBAZRT-PTUMPEBFSA-N 1 0 433.450 -1.225 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001185867594 1068092879 /nfs/dbraw/zinc/09/28/79/1068092879.db2.gz MGXUFVVZTAXVTQ-HNNXBMFYSA-N 1 0 440.545 -1.327 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001185879843 1068092926 /nfs/dbraw/zinc/09/29/26/1068092926.db2.gz JMEVZNXKEUUEOW-AWEZNQCLSA-N 1 0 427.483 -1.077 20 0 IAADRO CC(C)(C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)C1CCOCC1 ZINC001185997947 1068093568 /nfs/dbraw/zinc/09/35/68/1068093568.db2.gz SJZDRDWWCCXRHZ-QQHRNGFRSA-N 1 0 436.469 -1.154 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC3)C1=O ZINC001186039445 1068093601 /nfs/dbraw/zinc/09/36/01/1068093601.db2.gz YANYIQNRSBOMNH-BEFAXECRSA-N 1 0 428.555 -1.215 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC3)C1=O ZINC001186039446 1068093394 /nfs/dbraw/zinc/09/33/94/1068093394.db2.gz YANYIQNRSBOMNH-DNVCBOLYSA-N 1 0 428.555 -1.215 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC3)C1=O ZINC001186039447 1068093702 /nfs/dbraw/zinc/09/37/02/1068093702.db2.gz YANYIQNRSBOMNH-HNAYVOBHSA-N 1 0 428.555 -1.215 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC3)C1=O ZINC001186039448 1068093523 /nfs/dbraw/zinc/09/35/23/1068093523.db2.gz YANYIQNRSBOMNH-KXBFYZLASA-N 1 0 428.555 -1.215 20 0 IAADRO CN(C)c1cccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001186072764 1068093365 /nfs/dbraw/zinc/09/33/65/1068093365.db2.gz BTIPZRKTSZFLID-OZSDWXKXSA-N 1 0 443.464 -1.298 20 0 IAADRO COc1cccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1C ZINC001186475175 1068094192 /nfs/dbraw/zinc/09/41/92/1068094192.db2.gz NHPPADPRZJSYJC-OZSDWXKXSA-N 1 0 444.448 -1.047 20 0 IAADRO CCOC(=O)C12CC(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)(C1)C2 ZINC001186564754 1068094471 /nfs/dbraw/zinc/09/44/71/1068094471.db2.gz VBMADUOZIGIJCE-NAXYLAROSA-N 1 0 448.436 -1.873 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001186593746 1068095430 /nfs/dbraw/zinc/09/54/30/1068095430.db2.gz CLDWWTAZFOYJQN-SFHVURJKSA-N 1 0 445.520 -1.407 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001186593905 1068095256 /nfs/dbraw/zinc/09/52/56/1068095256.db2.gz DUBKFBZPWJIMAD-INIZCTEOSA-N 1 0 436.513 -1.571 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001186593960 1068095518 /nfs/dbraw/zinc/09/55/18/1068095518.db2.gz FWASSRSBGAWZBH-XWSJACJDSA-N 1 0 447.540 -1.407 20 0 IAADRO CO[C@@H]1CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001186594186 1068096018 /nfs/dbraw/zinc/09/60/18/1068096018.db2.gz IAABTZKOBILMDO-INDMIFKZSA-N 1 0 433.509 -1.258 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001186595036 1068096488 /nfs/dbraw/zinc/09/64/88/1068096488.db2.gz OOPIRVRYVPOIQO-INIZCTEOSA-N 1 0 440.545 -2.704 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001186595063 1068096377 /nfs/dbraw/zinc/09/63/77/1068096377.db2.gz PCGAFILBLKZSPR-LVCYWYKZSA-N 1 0 439.557 -1.613 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001186595352 1068096429 /nfs/dbraw/zinc/09/64/29/1068096429.db2.gz DNWCHPSUOXDTJN-HNNXBMFYSA-N 1 0 430.469 -1.687 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ccc(C)nn1)[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001186595635 1068096768 /nfs/dbraw/zinc/09/67/68/1068096768.db2.gz HWRWXMVIGZEVQR-FTRWYGJKSA-N 1 0 434.497 -1.358 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ccc(C)nn1)[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001186595636 1068096650 /nfs/dbraw/zinc/09/66/50/1068096650.db2.gz HWRWXMVIGZEVQR-GQIGUUNPSA-N 1 0 434.497 -1.358 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ccc(C)nn1)[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001186595637 1068096793 /nfs/dbraw/zinc/09/67/93/1068096793.db2.gz HWRWXMVIGZEVQR-GUXCAODWSA-N 1 0 434.497 -1.358 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ccc(C)nn1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001186595638 1068096720 /nfs/dbraw/zinc/09/67/20/1068096720.db2.gz HWRWXMVIGZEVQR-TWOQFEAHSA-N 1 0 434.497 -1.358 20 0 IAADRO CCOC(=O)C1CC[NH+](C2CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2)CC1 ZINC001186595656 1068096734 /nfs/dbraw/zinc/09/67/34/1068096734.db2.gz SYCUZLZGCPLUPL-KRWDZBQOSA-N 1 0 426.514 -1.134 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186596096 1068097694 /nfs/dbraw/zinc/09/76/94/1068097694.db2.gz YNQMWDQRNQIFLQ-INIZCTEOSA-N 1 0 429.481 -1.430 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001186596101 1068097541 /nfs/dbraw/zinc/09/75/41/1068097541.db2.gz YXFBIQVPKWFGBB-KRWDZBQOSA-N 1 0 445.524 -1.169 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001186604003 1068098277 /nfs/dbraw/zinc/09/82/77/1068098277.db2.gz NEGZMDFJCRPMNO-PMPSAXMXSA-N 1 0 441.529 -1.343 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1c(F)cc([C@@H](C)[NH3+])cc1F)S(C)(=O)=O ZINC001186606701 1068098714 /nfs/dbraw/zinc/09/87/14/1068098714.db2.gz AAHRGMWBCSMLMN-OQPBUACISA-N 1 0 436.437 -1.110 20 0 IAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001186607457 1068098828 /nfs/dbraw/zinc/09/88/28/1068098828.db2.gz LLINRSPTRDNCKW-HNNXBMFYSA-N 1 0 427.483 -2.454 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001186627256 1068094966 /nfs/dbraw/zinc/09/49/66/1068094966.db2.gz KTLMSJDRLUAQDU-JKQORVJESA-N 1 0 449.556 -1.063 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001186627262 1068094801 /nfs/dbraw/zinc/09/48/01/1068094801.db2.gz KTLMSJDRLUAQDU-QBYUYEEZSA-N 1 0 449.556 -1.063 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001186629574 1068095029 /nfs/dbraw/zinc/09/50/29/1068095029.db2.gz AYVDUPRNZQWURY-TZUPDSNESA-N 1 0 437.541 -1.158 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001186630722 1068094768 /nfs/dbraw/zinc/09/47/68/1068094768.db2.gz IZXIEIGQMVNTRI-KKUMJFAQSA-N 1 0 427.546 -1.174 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001186630735 1068094904 /nfs/dbraw/zinc/09/49/04/1068094904.db2.gz JGZDKWMDIAQIEY-FTAMUGHTSA-N 1 0 438.573 -1.243 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001186631019 1068095589 /nfs/dbraw/zinc/09/55/89/1068095589.db2.gz METWVFZCKOGIEH-KKUMJFAQSA-N 1 0 425.530 -1.156 20 0 IAADRO CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC[NH+](C)CC1 ZINC001186635714 1068100107 /nfs/dbraw/zinc/10/01/07/1068100107.db2.gz LDHTXTXDDFYAHD-IHRRRGAJSA-N 1 0 441.529 -1.336 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001186635882 1068100704 /nfs/dbraw/zinc/10/07/04/1068100704.db2.gz MOGJROAXIQJIGZ-CBQIASNUSA-N 1 0 429.518 -1.639 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001186635883 1068100640 /nfs/dbraw/zinc/10/06/40/1068100640.db2.gz MOGJROAXIQJIGZ-DSFNSEDLSA-N 1 0 429.518 -1.639 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001186636944 1068100687 /nfs/dbraw/zinc/10/06/87/1068100687.db2.gz XFPZJWNRCBTYPO-JKQORVJESA-N 1 0 425.530 -1.156 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001186636945 1068100607 /nfs/dbraw/zinc/10/06/07/1068100607.db2.gz XFPZJWNRCBTYPO-QBYUYEEZSA-N 1 0 425.530 -1.156 20 0 IAADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC1 ZINC001186639330 1068101001 /nfs/dbraw/zinc/10/10/01/1068101001.db2.gz VWIDDSJLOLXNOS-IHRRRGAJSA-N 1 0 441.529 -1.207 20 0 IAADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N(CC[NH3+])S(C)(=O)=O)C(N)=O ZINC001186641973 1068101085 /nfs/dbraw/zinc/10/10/85/1068101085.db2.gz ODZUBTGHGSXKCJ-WDEREUQCSA-N 1 0 437.519 -1.603 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001186662783 1068101792 /nfs/dbraw/zinc/10/17/92/1068101792.db2.gz QALATWGXFSCMNG-KBPBESRZSA-N 1 0 431.515 -2.149 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001186666295 1068098869 /nfs/dbraw/zinc/09/88/69/1068098869.db2.gz ARRXMCQJRCVLOS-IRXDYDNUSA-N 1 0 443.508 -1.101 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001186666845 1068098631 /nfs/dbraw/zinc/09/86/31/1068098631.db2.gz MXJYKKJPBXCNSQ-BZSNNMDCSA-N 1 0 437.541 -1.107 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001186666846 1068098743 /nfs/dbraw/zinc/09/87/43/1068098743.db2.gz MXJYKKJPBXCNSQ-SQNIBIBYSA-N 1 0 437.541 -1.107 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001186669291 1068099311 /nfs/dbraw/zinc/09/93/11/1068099311.db2.gz DYKMRLUVUFMWJU-IKGGRYGDSA-N 1 0 434.497 -1.453 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001186670016 1068099519 /nfs/dbraw/zinc/09/95/19/1068099519.db2.gz YPPGAWDDSWNKDG-HOTGVXAUSA-N 1 0 431.497 -1.112 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001186670832 1068100019 /nfs/dbraw/zinc/10/00/19/1068100019.db2.gz YJTRKKHPPUUCKI-IRXDYDNUSA-N 1 0 437.541 -1.323 20 0 IAADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186670866 1068100011 /nfs/dbraw/zinc/10/00/11/1068100011.db2.gz ZOFQNPPOZVXHED-HOTGVXAUSA-N 1 0 439.513 -1.545 20 0 IAADRO C[NH+]1CCN(c2ccccc2C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001186905077 1068103200 /nfs/dbraw/zinc/10/32/00/1068103200.db2.gz HDYZBSAEZPZLFA-DLVXIWMQSA-N 1 0 444.492 -1.131 20 0 IAADRO CCOCc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001187113420 1068104026 /nfs/dbraw/zinc/10/40/26/1068104026.db2.gz WETHWLQMVVGVSC-DZDCQFRTSA-N 1 0 444.448 -1.022 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC=N1)c(N)nc2=O ZINC001187377507 1068104674 /nfs/dbraw/zinc/10/46/74/1068104674.db2.gz FUPXYUCZGKBSAT-AVGNSLFASA-N 1 0 449.468 -1.090 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC=N1)c(N)nc2=O ZINC001187377517 1068104792 /nfs/dbraw/zinc/10/47/92/1068104792.db2.gz FUPXYUCZGKBSAT-RWMBFGLXSA-N 1 0 449.468 -1.090 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC=N1)c(N)nc2=O ZINC001187377520 1068104856 /nfs/dbraw/zinc/10/48/56/1068104856.db2.gz FUPXYUCZGKBSAT-XQQFMLRXSA-N 1 0 449.468 -1.090 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC=N1)c(N)nc2=O ZINC001187377522 1068104743 /nfs/dbraw/zinc/10/47/43/1068104743.db2.gz FUPXYUCZGKBSAT-YNEHKIRRSA-N 1 0 449.468 -1.090 20 0 IAADRO Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H]2COCC[NH+]1CCCC1 ZINC001187512755 1068105451 /nfs/dbraw/zinc/10/54/51/1068105451.db2.gz HIQXYLWOMQPLCY-GOEBONIOSA-N 1 0 433.513 -1.252 20 0 IAADRO Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@H]2COCC[NH+]1CCCC1 ZINC001187512756 1068105508 /nfs/dbraw/zinc/10/55/08/1068105508.db2.gz HIQXYLWOMQPLCY-HOCLYGCPSA-N 1 0 433.513 -1.252 20 0 IAADRO C[S@@](=O)c1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001187855391 1068106289 /nfs/dbraw/zinc/10/62/89/1068106289.db2.gz HCTBGJNBIMJATG-AEHRGNQMSA-N 1 0 448.461 -1.821 20 0 IAADRO C[S@](=O)c1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001187855392 1068106185 /nfs/dbraw/zinc/10/61/85/1068106185.db2.gz HCTBGJNBIMJATG-UIZKQJQSSA-N 1 0 448.461 -1.821 20 0 IAADRO CCc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc(C)n1 ZINC001188350924 1068106831 /nfs/dbraw/zinc/10/68/31/1068106831.db2.gz DAEYMXFAOLJBHW-LZDVPDMXSA-N 1 0 429.437 -1.293 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1nnc[nH]1)C(N)=O ZINC001188703525 1068108338 /nfs/dbraw/zinc/10/83/38/1068108338.db2.gz OSSHTEHXMSWDAW-IHRRRGAJSA-N 1 0 436.517 -1.351 20 0 IAADRO COc1cccc(C)c1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001188812546 1068108109 /nfs/dbraw/zinc/10/81/09/1068108109.db2.gz RHMPOBCJVBAQOH-JZUNMBGUSA-N 1 0 430.421 -1.241 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cn[nH]n1)C(N)=O ZINC001189356028 1068109862 /nfs/dbraw/zinc/10/98/62/1068109862.db2.gz RZGJIVOPODPHRG-QEJZJMRPSA-N 1 0 436.517 -1.351 20 0 IAADRO Cn1nc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)ccc1=O ZINC001189487667 1068110334 /nfs/dbraw/zinc/11/03/34/1068110334.db2.gz JPORLTYAQCPOPY-DZGCQCFKSA-N 1 0 430.490 -1.040 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncon1)C(N)=O ZINC001192035205 1068115863 /nfs/dbraw/zinc/11/58/63/1068115863.db2.gz JFYKEWUKMUGUIE-IHRRRGAJSA-N 1 0 437.501 -1.086 20 0 IAADRO Cc1cc(=O)oc(C)c1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001192528592 1068117221 /nfs/dbraw/zinc/11/72/21/1068117221.db2.gz UNWQGAXZRFNUBG-ADFJHRIASA-N 1 0 432.393 -1.988 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccnc(C2CC2)c1 ZINC001193015690 1068118514 /nfs/dbraw/zinc/11/85/14/1068118514.db2.gz LOBDCFNBCGDOFI-LZDVPDMXSA-N 1 0 427.421 -1.286 20 0 IAADRO C[NH+]1CCN(c2cncc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)c2)CC1 ZINC001193952342 1068120394 /nfs/dbraw/zinc/12/03/94/1068120394.db2.gz RPLHLOBRDYDCMX-KLICCBINSA-N 1 0 445.480 -1.736 20 0 IAADRO CN(C=O)c1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001194018969 1068120460 /nfs/dbraw/zinc/12/04/60/1068120460.db2.gz ZFUDSRJWELLYAP-LZDVPDMXSA-N 1 0 443.420 -1.966 20 0 IAADRO CSc1cncc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001194092762 1068120301 /nfs/dbraw/zinc/12/03/01/1068120301.db2.gz TYPYFDVOCSKMIJ-NKTGWMFESA-N 1 0 433.450 -1.442 20 0 IAADRO CSc1ncc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1C ZINC001194340357 1068121392 /nfs/dbraw/zinc/12/13/92/1068121392.db2.gz MFMPWXSGPHMIKL-LSGKAKCFSA-N 1 0 447.477 -1.133 20 0 IAADRO CCn1cccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1=O ZINC001194481601 1068121200 /nfs/dbraw/zinc/12/12/00/1068121200.db2.gz LXOJTPBOAWJXMS-LSGKAKCFSA-N 1 0 431.409 -2.377 20 0 IAADRO Cc1cc(Cl)c(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cn1 ZINC001194900389 1068122423 /nfs/dbraw/zinc/12/24/23/1068122423.db2.gz VKMMFWVYOUTGQH-NKTGWMFESA-N 1 0 435.828 -1.202 20 0 IAADRO Cc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cn(C)c1=O ZINC001195124836 1068122786 /nfs/dbraw/zinc/12/27/86/1068122786.db2.gz QYXAVXYOUBIKGK-LSGKAKCFSA-N 1 0 431.409 -2.551 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccnc1C1CC1 ZINC001195567653 1068125424 /nfs/dbraw/zinc/12/54/24/1068125424.db2.gz RFMPLVLYUVDXAD-JZDUQAKFSA-N 1 0 427.421 -1.286 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc(C2CC2)cn1 ZINC001195623024 1068125565 /nfs/dbraw/zinc/12/55/65/1068125565.db2.gz UDLPVNQQISJPCR-LZDVPDMXSA-N 1 0 427.421 -1.286 20 0 IAADRO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001196450756 1068127772 /nfs/dbraw/zinc/12/77/72/1068127772.db2.gz LSTXQBPKXUPYDJ-IRXDYDNUSA-N 1 0 427.523 -1.144 20 0 IAADRO Cc1cnc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1Cl ZINC001197293974 1068129951 /nfs/dbraw/zinc/12/99/51/1068129951.db2.gz DBRDHMPWAWJQFM-NKTGWMFESA-N 1 0 435.828 -1.202 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cnccc1C1CC1 ZINC001197855912 1068131539 /nfs/dbraw/zinc/13/15/39/1068131539.db2.gz XDTPIMSHIUNFPV-LZDVPDMXSA-N 1 0 427.421 -1.286 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc2c(c1)CCC2 ZINC001198784620 1068134829 /nfs/dbraw/zinc/13/48/29/1068134829.db2.gz AMDFGQXTNYYFJY-DZDCQFRTSA-N 1 0 426.433 -1.070 20 0 IAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc2c(c1)COC2 ZINC001198871745 1068134759 /nfs/dbraw/zinc/13/47/59/1068134759.db2.gz ZCXGYDSGYANVOB-LZDVPDMXSA-N 1 0 428.405 -1.528 20 0 IAADRO Cn1ccc2cccc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)c21 ZINC001199028062 1068136559 /nfs/dbraw/zinc/13/65/59/1068136559.db2.gz HRFIFOYPFHWPEL-KHQJXUJBSA-N 1 0 439.432 -1.067 20 0 IAADRO CC(C)n1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cnc1=O ZINC001199250489 1068137097 /nfs/dbraw/zinc/13/70/97/1068137097.db2.gz DYVWLESTKLDBKQ-NKTGWMFESA-N 1 0 446.424 -2.421 20 0 IAADRO CC(C)n1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1=O ZINC001199495789 1068137834 /nfs/dbraw/zinc/13/78/34/1068137834.db2.gz VMFMMUOLHHVDNG-JZUNMBGUSA-N 1 0 445.436 -1.816 20 0 IAADRO CC(C)n1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)ccc1=O ZINC001199512802 1068138582 /nfs/dbraw/zinc/13/85/82/1068138582.db2.gz OEYDSMWDXPALKN-JZUNMBGUSA-N 1 0 445.436 -1.816 20 0 IAADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC[C@H]2S1(=O)=O ZINC001209273558 1068397430 /nfs/dbraw/zinc/39/74/30/1068397430.db2.gz RSACWKMEIXLTGP-XLKGFZLASA-N 1 0 449.570 -1.326 20 0 IAADRO CC(C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212454073 1067965305 /nfs/dbraw/zinc/96/53/05/1067965305.db2.gz XTAOYESWIXXJAK-KBPBESRZSA-N 1 0 429.543 -1.061 20 0 IAADRO CC(C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212454077 1067965334 /nfs/dbraw/zinc/96/53/34/1067965334.db2.gz XTAOYESWIXXJAK-KGLIPLIRSA-N 1 0 429.543 -1.061 20 0 IAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc(C)c1Br ZINC001218494594 1068399960 /nfs/dbraw/zinc/39/99/60/1068399960.db2.gz KEQYBEMUBUNKRU-UHFFFAOYSA-N 1 0 429.275 -1.293 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncccc1OCc1ccccc1 ZINC001218495633 1068400136 /nfs/dbraw/zinc/40/01/36/1068400136.db2.gz PQLXYLSQRJLFPV-UHFFFAOYSA-N 1 0 428.449 -1.094 20 0 IAADRO COC(=O)c1cccc2nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])sc21 ZINC001218507172 1068399797 /nfs/dbraw/zinc/39/97/97/1068399797.db2.gz JQTAYCGKRXLCNM-UHFFFAOYSA-N 1 0 436.450 -1.671 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218509352 1068399889 /nfs/dbraw/zinc/39/98/89/1068399889.db2.gz AJTZYESOGQVCQF-UHFFFAOYSA-N 1 0 435.441 -3.200 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218511379 1068400173 /nfs/dbraw/zinc/40/01/73/1068400173.db2.gz VBLGWPCPBBUZGV-ZFWWWQNUSA-N 1 0 432.481 -1.053 20 0 IAADRO Cc1nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc(C)c1Br ZINC001218514892 1068400089 /nfs/dbraw/zinc/40/00/89/1068400089.db2.gz XTEXMYQZVIOUDM-UHFFFAOYSA-N 1 0 430.263 -1.898 20 0 IAADRO COc1ccc(-c2ccccn2)nc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218521358 1068399657 /nfs/dbraw/zinc/39/96/57/1068399657.db2.gz VQWIOPXCXJQWSR-UHFFFAOYSA-N 1 0 429.437 -1.602 20 0 IAADRO CCOC(=O)c1ncn2c1cccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218530203 1068399924 /nfs/dbraw/zinc/39/99/24/1068399924.db2.gz BRLZMDSGGAFNNI-UHFFFAOYSA-N 1 0 433.425 -2.243 20 0 IAADRO COc1ccc(-c2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(C)n2)cc1 ZINC001218544299 1068400035 /nfs/dbraw/zinc/40/00/35/1068400035.db2.gz MYUSYKDLBXONAU-UHFFFAOYSA-N 1 0 431.453 -1.659 20 0 IAADRO CCOC(=O)c1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])sc2c1CCC2 ZINC001218545073 1068400065 /nfs/dbraw/zinc/40/00/65/1068400065.db2.gz BKMISOAFKZHSAU-UHFFFAOYSA-N 1 0 439.494 -1.341 20 0 IAADRO Cc1noc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1C(N)=O ZINC001218551620 1068399724 /nfs/dbraw/zinc/39/97/24/1068399724.db2.gz QZYJBOWTSVSQEC-BHDSKKPTSA-N 1 0 442.448 -1.078 20 0 IAADRO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218553661 1068399848 /nfs/dbraw/zinc/39/98/48/1068399848.db2.gz YNANDJIAUZEVEQ-IUCAKERBSA-N 1 0 440.482 -1.188 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nc(Br)cn2ccnc12 ZINC001218563313 1068400740 /nfs/dbraw/zinc/40/07/40/1068400740.db2.gz JBKOUVQRHCGDBU-UHFFFAOYSA-N 1 0 441.246 -2.262 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncnn2cccc12)C(=O)CF ZINC001218564776 1068400757 /nfs/dbraw/zinc/40/07/57/1068400757.db2.gz KIRXCLIDIBWAQV-MKBNYLNASA-N 1 0 435.460 -1.009 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccn2c(Br)cnc12 ZINC001218567275 1068400663 /nfs/dbraw/zinc/40/06/63/1068400663.db2.gz MMVSVWHZJADLOO-UHFFFAOYSA-N 1 0 440.258 -1.657 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567855 1068400811 /nfs/dbraw/zinc/40/08/11/1068400811.db2.gz VCLZARMURXIRCF-UHFFFAOYSA-N 1 0 441.246 -2.841 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nccnc1OCc1ccccc1 ZINC001218568232 1068400531 /nfs/dbraw/zinc/40/05/31/1068400531.db2.gz FCSDKRBMIQGIQA-UHFFFAOYSA-N 1 0 429.437 -1.699 20 0 IAADRO CCOC(=O)c1oc2nccnc2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218568677 1068400839 /nfs/dbraw/zinc/40/08/39/1068400839.db2.gz SRIIVPKWDSDDBA-UHFFFAOYSA-N 1 0 435.397 -2.355 20 0 IAADRO CN1CCN(c2cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ncn2)CC1 ZINC001218573107 1068400771 /nfs/dbraw/zinc/40/07/71/1068400771.db2.gz SFQWPVSLYLMCPR-IRXDYDNUSA-N 1 0 443.508 -1.080 20 0 IAADRO CN1CCN(c2ncc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)cn2)CC1 ZINC001218579332 1068400568 /nfs/dbraw/zinc/40/05/68/1068400568.db2.gz CBDWINGXIRLUFS-ROUUACIJSA-N 1 0 443.508 -1.080 20 0 IAADRO CCOc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cnc1Br ZINC001218580026 1068400721 /nfs/dbraw/zinc/40/07/21/1068400721.db2.gz RPULQALKGWXLJV-UHFFFAOYSA-N 1 0 445.274 -1.511 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cn2cc(Br)ccc2n1 ZINC001218588904 1068400701 /nfs/dbraw/zinc/40/07/01/1068400701.db2.gz GIVFQPKYMPWBPB-UHFFFAOYSA-N 1 0 440.258 -1.657 20 0 IAADRO Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(Br)n1 ZINC001218590645 1068400636 /nfs/dbraw/zinc/40/06/36/1068400636.db2.gz RCKPLUCWGHLRQM-UHFFFAOYSA-N 1 0 429.275 -1.293 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncc(Br)c1Cl ZINC001218591684 1068400511 /nfs/dbraw/zinc/40/05/11/1068400511.db2.gz KFJRTTGKGJCRHH-UHFFFAOYSA-N 1 0 435.666 -1.257 20 0 IAADRO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218593614 1068400681 /nfs/dbraw/zinc/40/06/81/1068400681.db2.gz AIDVJSRCFNEMRM-CBAPKCEASA-N 1 0 438.470 -1.331 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncnc2c1cnn2-c1ccccc1 ZINC001218608215 1068401623 /nfs/dbraw/zinc/40/16/23/1068401623.db2.gz AGMODOSLPLCHLY-UHFFFAOYSA-N 1 0 439.436 -1.939 20 0 IAADRO CCOC(=O)c1cnn2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc12 ZINC001218614930 1068401714 /nfs/dbraw/zinc/40/17/14/1068401714.db2.gz QKVDRIREVUPDHO-UHFFFAOYSA-N 1 0 433.425 -2.243 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nccnc1C(N)=O)C(=O)CF ZINC001218617643 1068401606 /nfs/dbraw/zinc/40/16/06/1068401606.db2.gz JSYODRCIZKNHGS-KWBADKCTSA-N 1 0 439.448 -1.585 20 0 IAADRO COc1ccc(Br)nc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218618116 1068401668 /nfs/dbraw/zinc/40/16/68/1068401668.db2.gz OADZYEBQOQPGLH-UHFFFAOYSA-N 1 0 431.247 -1.902 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)c1nccnc1N)C(=O)CF ZINC001218624086 1068401656 /nfs/dbraw/zinc/40/16/56/1068401656.db2.gz VWGHQKIMYOEYGK-MJVIPROJSA-N 1 0 425.465 -1.077 20 0 IAADRO COc1ccc(-c2nnsc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001218631067 1068401738 /nfs/dbraw/zinc/40/17/38/1068401738.db2.gz HQRRENGFNCKEDO-UHFFFAOYSA-N 1 0 435.466 -1.541 20 0 IAADRO [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218632555 1068402933 /nfs/dbraw/zinc/40/29/33/1068402933.db2.gz MZJDNUVSJBQUHO-NTFFAHPLSA-N 1 0 443.357 -1.395 20 0 IAADRO [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218632567 1068402883 /nfs/dbraw/zinc/40/28/83/1068402883.db2.gz MZJDNUVSJBQUHO-OSQRPLQGSA-N 1 0 443.357 -1.395 20 0 IAADRO CCOC(=O)c1sc(SC)nc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218634830 1068403633 /nfs/dbraw/zinc/40/36/33/1068403633.db2.gz VSULDLCRNKTEPG-UHFFFAOYSA-N 1 0 446.511 -1.713 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218644522 1068404507 /nfs/dbraw/zinc/40/45/07/1068404507.db2.gz WSRHPWNNQGKNRZ-AWEZNQCLSA-N 1 0 433.429 -2.619 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218644523 1068404743 /nfs/dbraw/zinc/40/47/43/1068404743.db2.gz WSRHPWNNQGKNRZ-CQSZACIVSA-N 1 0 433.429 -2.619 20 0 IAADRO COc1ccc(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218656688 1068404724 /nfs/dbraw/zinc/40/47/24/1068404724.db2.gz KGDSESSCBIJHRU-UHFFFAOYSA-N 1 0 431.247 -1.902 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(-c3ccccc3)n2c1 ZINC001218665736 1068404757 /nfs/dbraw/zinc/40/47/57/1068404757.db2.gz RDULGGBCLQGGGU-UHFFFAOYSA-N 1 0 438.448 -1.358 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668972 1068404545 /nfs/dbraw/zinc/40/45/45/1068404545.db2.gz LNTJXIDVLLJXJU-OALUTQOASA-N 1 0 446.508 -1.094 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ncc(I)cc1C(N)=O ZINC001218674602 1068404475 /nfs/dbraw/zinc/40/44/75/1068404475.db2.gz BMZYJFKHSIYUPZ-UHFFFAOYSA-N 1 0 441.251 -1.056 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc(I)cc1C(N)=O ZINC001218674612 1068404617 /nfs/dbraw/zinc/40/46/17/1068404617.db2.gz BURQCZHFTZPDQG-XNCJUZBTSA-N 1 0 448.221 -1.569 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnc(Cl)c1OC(F)(F)F ZINC001218680673 1068404751 /nfs/dbraw/zinc/40/47/51/1068404751.db2.gz GIROTVRCIHHMJC-UHFFFAOYSA-N 1 0 440.766 -1.121 20 0 IAADRO COc1ccc(N)c(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2COC(C)(C)OC2)n1 ZINC001218686028 1068404631 /nfs/dbraw/zinc/40/46/31/1068404631.db2.gz SGVBOBYBRBAZHG-GWCFXTLKSA-N 1 0 438.485 -1.136 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncc(OCc2ccccc2)c1 ZINC001218691753 1068404682 /nfs/dbraw/zinc/40/46/82/1068404682.db2.gz PAPZQIKJSBEHMB-UHFFFAOYSA-N 1 0 428.449 -1.094 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218698962 1068404590 /nfs/dbraw/zinc/40/45/90/1068404590.db2.gz PINLEVYKDPIDGN-UHFFFAOYSA-N 1 0 441.876 -2.183 20 0 IAADRO CC(C)(C)c1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(-c2cccnc2)n1 ZINC001218701912 1068404736 /nfs/dbraw/zinc/40/47/36/1068404736.db2.gz OJXFPOQGEHLUIH-UHFFFAOYSA-N 1 0 444.496 -1.189 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1oncc1C(N)=O)C(=O)CF ZINC001218702373 1068404713 /nfs/dbraw/zinc/40/47/13/1068404713.db2.gz OUKVFPKNNRVBCW-FWDPORAESA-N 1 0 428.421 -1.387 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001218703752 1068404733 /nfs/dbraw/zinc/40/47/33/1068404733.db2.gz HTQPZHRXNKBEDB-KBPBESRZSA-N 1 0 438.448 -1.252 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001218703754 1068404447 /nfs/dbraw/zinc/40/44/47/1068404447.db2.gz HTQPZHRXNKBEDB-KGLIPLIRSA-N 1 0 438.448 -1.252 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001218703755 1068404748 /nfs/dbraw/zinc/40/47/48/1068404748.db2.gz HTQPZHRXNKBEDB-UONOGXRCSA-N 1 0 438.448 -1.252 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001218703756 1068404768 /nfs/dbraw/zinc/40/47/68/1068404768.db2.gz HTQPZHRXNKBEDB-ZIAGYGMSSA-N 1 0 438.448 -1.252 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001218704481 1068404673 /nfs/dbraw/zinc/40/46/73/1068404673.db2.gz UBBZHAKKQNCYMQ-ZDUSSCGKSA-N 1 0 428.453 -1.413 20 0 IAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001218704515 1068404654 /nfs/dbraw/zinc/40/46/54/1068404654.db2.gz VRKQHHROBMPYTK-ZDUSSCGKSA-N 1 0 428.453 -1.413 20 0 IAADRO COc1cc2cc(C(N)=O)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])nc2cc1OC ZINC001218710371 1068405502 /nfs/dbraw/zinc/40/55/02/1068405502.db2.gz INYRJSMMIKSROV-UFBFGSQYSA-N 1 0 432.437 -1.003 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cn2cc(C(F)(F)F)ccc2n1 ZINC001218720355 1068405524 /nfs/dbraw/zinc/40/55/24/1068405524.db2.gz UJFSAQNRPKDBLD-UHFFFAOYSA-N 1 0 429.359 -1.401 20 0 IAADRO COC(=O)c1sc2c(c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCCC2 ZINC001218721422 1068405259 /nfs/dbraw/zinc/40/52/59/1068405259.db2.gz WYQWQUXHGNIAOJ-UHFFFAOYSA-N 1 0 439.494 -1.341 20 0 IAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(Cc2ccccc2F)n1 ZINC001218726963 1068405432 /nfs/dbraw/zinc/40/54/32/1068405432.db2.gz VNLHIURFWKQYGM-UHFFFAOYSA-N 1 0 433.444 -1.375 20 0 IAADRO COc1cccc(Cn2nccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218732832 1068405570 /nfs/dbraw/zinc/40/55/70/1068405570.db2.gz BMNJGUYJMJWMJD-UHFFFAOYSA-N 1 0 431.453 -1.814 20 0 IAADRO CC(=O)N1CCC(n2nccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001218734497 1068405332 /nfs/dbraw/zinc/40/53/32/1068405332.db2.gz DXTSNUYZAFHVKE-UHFFFAOYSA-N 1 0 436.473 -2.688 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218736320 1068405124 /nfs/dbraw/zinc/40/51/24/1068405124.db2.gz LHHLUXCGIKQXEI-UHFFFAOYSA-N 1 0 446.468 -2.131 20 0 IAADRO CCN=c1ncc(N)cn1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218739272 1068405549 /nfs/dbraw/zinc/40/55/49/1068405549.db2.gz ALODNNWOWBCTKO-RBOXIYTFSA-N 1 0 439.492 -1.072 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218744435 1068405172 /nfs/dbraw/zinc/40/51/72/1068405172.db2.gz HGTXRSPRFBHJFC-UHFFFAOYSA-N 1 0 446.468 -2.131 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nc(Cl)c(Cl)nc1Cl ZINC001218758323 1068405405 /nfs/dbraw/zinc/40/54/05/1068405405.db2.gz CQROLNFHQGIRBH-UHFFFAOYSA-N 1 0 426.648 -1.317 20 0 IAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)COC1(C)C ZINC001218770371 1068405386 /nfs/dbraw/zinc/40/53/86/1068405386.db2.gz DVJHZEFTLCOYKV-JSGCOSHPSA-N 1 0 435.485 -1.231 20 0 IAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771126 1068405314 /nfs/dbraw/zinc/40/53/14/1068405314.db2.gz SUTJUKWMYICVPS-ZDUSSCGKSA-N 1 0 437.501 -1.283 20 0 IAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)NC1=O ZINC001218776608 1068406105 /nfs/dbraw/zinc/40/61/05/1068406105.db2.gz BIMOAJFKFFXCSE-BJDJZHNGSA-N 1 0 439.904 -1.587 20 0 IAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)NC1=O ZINC001218776609 1068406152 /nfs/dbraw/zinc/40/61/52/1068406152.db2.gz BIMOAJFKFFXCSE-FIQHERPVSA-N 1 0 439.904 -1.587 20 0 IAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)NC1=O ZINC001218776610 1068406162 /nfs/dbraw/zinc/40/61/62/1068406162.db2.gz BIMOAJFKFFXCSE-USZNOCQGSA-N 1 0 439.904 -1.587 20 0 IAADRO C[C@@H]1NC(=O)[C@H](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)NC1=O ZINC001218776611 1068406089 /nfs/dbraw/zinc/40/60/89/1068406089.db2.gz BIMOAJFKFFXCSE-WHOHXGKFSA-N 1 0 439.904 -1.587 20 0 IAADRO Nc1ncn(C(=O)CN2CCS(=O)(=O)CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777314 1068406112 /nfs/dbraw/zinc/40/61/12/1068406112.db2.gz OVZWRJONOAGPDW-NEPJUHHUSA-N 1 0 432.934 -1.640 20 0 IAADRO Nc1ncn(C(=O)CN2CCS(=O)(=O)CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777318 1068406143 /nfs/dbraw/zinc/40/61/43/1068406143.db2.gz OVZWRJONOAGPDW-NWDGAFQWSA-N 1 0 432.934 -1.640 20 0 IAADRO Nc1ncn(C(=O)CN2CCS(=O)(=O)CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777320 1068406144 /nfs/dbraw/zinc/40/61/44/1068406144.db2.gz OVZWRJONOAGPDW-RYUDHWBXSA-N 1 0 432.934 -1.640 20 0 IAADRO Nc1ncn(C(=O)CN2CCS(=O)(=O)CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777322 1068406076 /nfs/dbraw/zinc/40/60/76/1068406076.db2.gz OVZWRJONOAGPDW-VXGBXAGGSA-N 1 0 432.934 -1.640 20 0 IAADRO Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777962 1068406161 /nfs/dbraw/zinc/40/61/61/1068406161.db2.gz GNJGOQRYMSBGHC-DCAQKATOSA-N 1 0 425.877 -1.975 20 0 IAADRO Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777970 1068406100 /nfs/dbraw/zinc/40/61/00/1068406100.db2.gz GNJGOQRYMSBGHC-GARJFASQSA-N 1 0 425.877 -1.975 20 0 IAADRO Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777971 1068406160 /nfs/dbraw/zinc/40/61/60/1068406160.db2.gz GNJGOQRYMSBGHC-OUAUKWLOSA-N 1 0 425.877 -1.975 20 0 IAADRO Nc1ncn(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777972 1068406135 /nfs/dbraw/zinc/40/61/35/1068406135.db2.gz GNJGOQRYMSBGHC-VWYCJHECSA-N 1 0 425.877 -1.975 20 0 IAADRO Nc1ncn(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778689 1068406776 /nfs/dbraw/zinc/40/67/76/1068406776.db2.gz UZPZUCPHJYEKLD-PSASIEDQSA-N 1 0 427.824 -1.268 20 0 IAADRO Nc1ncn(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778694 1068406911 /nfs/dbraw/zinc/40/69/11/1068406911.db2.gz UZPZUCPHJYEKLD-SCZZXKLOSA-N 1 0 427.824 -1.268 20 0 IAADRO Nc1ncn(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778696 1068406618 /nfs/dbraw/zinc/40/66/18/1068406618.db2.gz UZPZUCPHJYEKLD-WCBMZHEXSA-N 1 0 427.824 -1.268 20 0 IAADRO Nc1ncn(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778698 1068406728 /nfs/dbraw/zinc/40/67/28/1068406728.db2.gz UZPZUCPHJYEKLD-WPRPVWTQSA-N 1 0 427.824 -1.268 20 0 IAADRO CC(=O)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218778951 1068406658 /nfs/dbraw/zinc/40/66/58/1068406658.db2.gz MIXCEUBNTQVNQL-KBPBESRZSA-N 1 0 425.921 -1.206 20 0 IAADRO CC(=O)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218778957 1068406848 /nfs/dbraw/zinc/40/68/48/1068406848.db2.gz MIXCEUBNTQVNQL-KGLIPLIRSA-N 1 0 425.921 -1.206 20 0 IAADRO CC(=O)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218778958 1068406719 /nfs/dbraw/zinc/40/67/19/1068406719.db2.gz MIXCEUBNTQVNQL-UONOGXRCSA-N 1 0 425.921 -1.206 20 0 IAADRO CC(=O)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218778959 1068406871 /nfs/dbraw/zinc/40/68/71/1068406871.db2.gz MIXCEUBNTQVNQL-ZIAGYGMSSA-N 1 0 425.921 -1.206 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780516 1068407563 /nfs/dbraw/zinc/40/75/63/1068407563.db2.gz NFZWUQNCAJLARJ-DCAQKATOSA-N 1 0 443.892 -1.380 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780541 1068407625 /nfs/dbraw/zinc/40/76/25/1068407625.db2.gz NFZWUQNCAJLARJ-GARJFASQSA-N 1 0 443.892 -1.380 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780542 1068407586 /nfs/dbraw/zinc/40/75/86/1068407586.db2.gz NFZWUQNCAJLARJ-OUAUKWLOSA-N 1 0 443.892 -1.380 20 0 IAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780543 1068407527 /nfs/dbraw/zinc/40/75/27/1068407527.db2.gz NFZWUQNCAJLARJ-VWYCJHECSA-N 1 0 443.892 -1.380 20 0 IAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218785944 1068407686 /nfs/dbraw/zinc/40/76/86/1068407686.db2.gz VHMBWXTYHHKFKC-CUDMWDDJSA-N 1 0 426.905 -1.239 20 0 IAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218785954 1068407600 /nfs/dbraw/zinc/40/76/00/1068407600.db2.gz VHMBWXTYHHKFKC-DLKHCFGGSA-N 1 0 426.905 -1.239 20 0 IAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218785958 1068407517 /nfs/dbraw/zinc/40/75/17/1068407517.db2.gz VHMBWXTYHHKFKC-KXEMTNKZSA-N 1 0 426.905 -1.239 20 0 IAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218785962 1068407654 /nfs/dbraw/zinc/40/76/54/1068407654.db2.gz VHMBWXTYHHKFKC-NGBGQIEVSA-N 1 0 426.905 -1.239 20 0 IAADRO Cn1nnc2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)ncn2c1=O ZINC001218786822 1068408538 /nfs/dbraw/zinc/40/85/38/1068408538.db2.gz YCAYWTDTWHUJPW-BDAKNGLRSA-N 1 0 434.848 -2.185 20 0 IAADRO Cn1nnc2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)ncn2c1=O ZINC001218786823 1068408202 /nfs/dbraw/zinc/40/82/02/1068408202.db2.gz YCAYWTDTWHUJPW-DTWKUNHWSA-N 1 0 434.848 -2.185 20 0 IAADRO Cn1nnc2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)ncn2c1=O ZINC001218786824 1068408335 /nfs/dbraw/zinc/40/83/35/1068408335.db2.gz YCAYWTDTWHUJPW-IUCAKERBSA-N 1 0 434.848 -2.185 20 0 IAADRO Cn1nnc2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)ncn2c1=O ZINC001218786825 1068408471 /nfs/dbraw/zinc/40/84/71/1068408471.db2.gz YCAYWTDTWHUJPW-RKDXNWHRSA-N 1 0 434.848 -2.185 20 0 IAADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cnc1=O ZINC001218788249 1068408399 /nfs/dbraw/zinc/40/83/99/1068408399.db2.gz NHTQXPDLQCZQNA-AAEUAGOBSA-N 1 0 437.888 -1.119 20 0 IAADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cnc1=O ZINC001218788252 1068408374 /nfs/dbraw/zinc/40/83/74/1068408374.db2.gz NHTQXPDLQCZQNA-DGCLKSJQSA-N 1 0 437.888 -1.119 20 0 IAADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cnc1=O ZINC001218788253 1068408479 /nfs/dbraw/zinc/40/84/79/1068408479.db2.gz NHTQXPDLQCZQNA-WCQYABFASA-N 1 0 437.888 -1.119 20 0 IAADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cnc1=O ZINC001218788254 1068408510 /nfs/dbraw/zinc/40/85/10/1068408510.db2.gz NHTQXPDLQCZQNA-YPMHNXCESA-N 1 0 437.888 -1.119 20 0 IAADRO CCOC(=O)c1sc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc1C1CC1 ZINC001218805505 1068408184 /nfs/dbraw/zinc/40/81/84/1068408184.db2.gz XMANANAPPVQEHA-UHFFFAOYSA-N 1 0 440.482 -1.557 20 0 IAADRO CC(C)S(=O)(=O)c1ccccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218819722 1068408167 /nfs/dbraw/zinc/40/81/67/1068408167.db2.gz BQWYLAHQXOMURA-UHFFFAOYSA-N 1 0 427.483 -1.886 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1I ZINC001218832992 1068408350 /nfs/dbraw/zinc/40/83/50/1068408350.db2.gz AOIZAKRNGYRAGO-UHFFFAOYSA-N 1 0 447.233 -1.463 20 0 IAADRO COc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(Br)c1 ZINC001218833675 1068408518 /nfs/dbraw/zinc/40/85/18/1068408518.db2.gz BTMZJXITUGSDQP-UHFFFAOYSA-N 1 0 430.259 -1.297 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850716 1068408408 /nfs/dbraw/zinc/40/84/08/1068408408.db2.gz PPAKLWBAVXSCRA-UHFFFAOYSA-N 1 0 434.453 -2.595 20 0 IAADRO CCS(=O)(=O)c1ccc(OC)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218854072 1068408212 /nfs/dbraw/zinc/40/82/12/1068408212.db2.gz RTBHOWLGKZMVGS-UHFFFAOYSA-N 1 0 443.482 -2.265 20 0 IAADRO COCCCOc1ccc(F)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218854286 1068408270 /nfs/dbraw/zinc/40/82/70/1068408270.db2.gz VCDYHBXHYWPZAX-UHFFFAOYSA-N 1 0 427.433 -1.513 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC001218855895 1068408322 /nfs/dbraw/zinc/40/83/22/1068408322.db2.gz DHEVPZZIDKQNOY-CYBMUJFWSA-N 1 0 439.444 -1.371 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC001218855901 1068408295 /nfs/dbraw/zinc/40/82/95/1068408295.db2.gz DHEVPZZIDKQNOY-ZDUSSCGKSA-N 1 0 439.444 -1.371 20 0 IAADRO CCOC(=O)c1cc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc2o1 ZINC001218870590 1068409354 /nfs/dbraw/zinc/40/93/54/1068409354.db2.gz YHALNZSRHUKJMS-UHFFFAOYSA-N 1 0 433.421 -1.145 20 0 IAADRO COc1nccn(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874762 1068409397 /nfs/dbraw/zinc/40/93/97/1068409397.db2.gz GOYVWIFYAAVTGE-AWEZNQCLSA-N 1 0 432.462 -1.118 20 0 IAADRO COc1nccn(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874766 1068409476 /nfs/dbraw/zinc/40/94/76/1068409476.db2.gz GOYVWIFYAAVTGE-CQSZACIVSA-N 1 0 432.462 -1.118 20 0 IAADRO COc1nccn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875529 1068409421 /nfs/dbraw/zinc/40/94/21/1068409421.db2.gz SFCYBIQHYABDPX-AWEZNQCLSA-N 1 0 434.478 -1.266 20 0 IAADRO COc1nccn(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875530 1068409387 /nfs/dbraw/zinc/40/93/87/1068409387.db2.gz SFCYBIQHYABDPX-CQSZACIVSA-N 1 0 434.478 -1.266 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876038 1068409448 /nfs/dbraw/zinc/40/94/48/1068409448.db2.gz CPKXADYAJLSJSV-WDSKDSINSA-N 1 0 427.892 -1.575 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)COCCOCC[NH3+])cc1Cl ZINC001218876418 1068409510 /nfs/dbraw/zinc/40/95/10/1068409510.db2.gz IEGRLRQBTWIWBL-UHFFFAOYSA-N 1 0 430.892 -1.435 20 0 IAADRO CCOC(=O)C1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C[NH2+]C1 ZINC001218876431 1068409070 /nfs/dbraw/zinc/40/90/70/1068409070.db2.gz IJZOKZITGJAFPJ-UHFFFAOYSA-N 1 0 440.887 -1.274 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1Cl ZINC001218876632 1068409215 /nfs/dbraw/zinc/40/92/15/1068409215.db2.gz KMJURGLFGLYHRO-QMMMGPOBSA-N 1 0 439.903 -1.559 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])cc1Cl ZINC001218876740 1068409460 /nfs/dbraw/zinc/40/94/60/1068409460.db2.gz MHAWVKOMRKBIGA-VIFPVBQESA-N 1 0 439.903 -1.477 20 0 IAADRO COc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218877396 1068409189 /nfs/dbraw/zinc/40/91/89/1068409189.db2.gz HUDOKCIYTZUZQG-GWCFXTLKSA-N 1 0 438.466 -1.386 20 0 IAADRO NC(=O)CC[C@H]([NH3+])CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877533 1068409484 /nfs/dbraw/zinc/40/94/84/1068409484.db2.gz RTCBVCNJIFNTBN-LURJTMIESA-N 1 0 427.892 -1.444 20 0 IAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877971 1068410136 /nfs/dbraw/zinc/41/01/36/1068410136.db2.gz XGOALMAUKSIHRR-GZADNHSOSA-N 1 0 432.933 -1.331 20 0 IAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877972 1068410062 /nfs/dbraw/zinc/41/00/62/1068410062.db2.gz XGOALMAUKSIHRR-SYDQRWKJSA-N 1 0 432.933 -1.331 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878052 1068410150 /nfs/dbraw/zinc/41/01/50/1068410150.db2.gz ZAKLJWNFYARGDR-GMSGAONNSA-N 1 0 440.887 -1.276 20 0 IAADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878096 1068410023 /nfs/dbraw/zinc/41/00/23/1068410023.db2.gz ZAKLJWNFYARGDR-OIBJUYFYSA-N 1 0 440.887 -1.276 20 0 IAADRO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878097 1068410158 /nfs/dbraw/zinc/41/01/58/1068410158.db2.gz ZAKLJWNFYARGDR-XCBNKYQSSA-N 1 0 440.887 -1.276 20 0 IAADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878099 1068410110 /nfs/dbraw/zinc/41/01/10/1068410110.db2.gz ZAKLJWNFYARGDR-XVKPBYJWSA-N 1 0 440.887 -1.276 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNC2CC[NH2+]CC2)cc1Cl ZINC001218878219 1068410116 /nfs/dbraw/zinc/41/01/16/1068410116.db2.gz ANOIMAOYFWTZAY-UHFFFAOYSA-N 1 0 425.920 -1.085 20 0 IAADRO Cn1cncc1C[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878602 1068410171 /nfs/dbraw/zinc/41/01/71/1068410171.db2.gz FTERJAAVIGWWCN-VIFPVBQESA-N 1 0 436.903 -1.123 20 0 IAADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878621 1068409988 /nfs/dbraw/zinc/40/99/88/1068409988.db2.gz GHCCJGGBHNTVRE-SSDOTTSWSA-N 1 0 428.876 -1.146 20 0 IAADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878622 1068410044 /nfs/dbraw/zinc/41/00/44/1068410044.db2.gz GHCCJGGBHNTVRE-ZETCQYMHSA-N 1 0 428.876 -1.146 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)cc1Cl ZINC001218878906 1068410057 /nfs/dbraw/zinc/41/00/57/1068410057.db2.gz JILHZPYGWKXECA-LLVKDONJSA-N 1 0 437.887 -1.949 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)cc1Cl ZINC001218878908 1068409957 /nfs/dbraw/zinc/40/99/57/1068409957.db2.gz JILHZPYGWKXECA-NSHDSACASA-N 1 0 437.887 -1.949 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)/C=C/C(=O)NCC[NH3+])cc1Cl ZINC001218879080 1068410083 /nfs/dbraw/zinc/41/00/83/1068410083.db2.gz MIQVDLWGTMSFDL-OWOJBTEDSA-N 1 0 425.876 -1.796 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1Cl ZINC001218879109 1068410130 /nfs/dbraw/zinc/41/01/30/1068410130.db2.gz NMHSKJARZYFRQQ-SECBINFHSA-N 1 0 439.903 -2.096 20 0 IAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1Cl ZINC001218879110 1068410163 /nfs/dbraw/zinc/41/01/63/1068410163.db2.gz NMHSKJARZYFRQQ-VIFPVBQESA-N 1 0 439.903 -2.096 20 0 IAADRO C[C@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C[C@@H]1O ZINC001218879280 1068410196 /nfs/dbraw/zinc/41/01/96/1068410196.db2.gz PUESMABZXJPTPS-AAEUAGOBSA-N 1 0 426.904 -1.066 20 0 IAADRO C[C@@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C[C@H]1O ZINC001218879281 1068410034 /nfs/dbraw/zinc/41/00/34/1068410034.db2.gz PUESMABZXJPTPS-DGCLKSJQSA-N 1 0 426.904 -1.066 20 0 IAADRO C[C@@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C[C@@H]1O ZINC001218879282 1068409969 /nfs/dbraw/zinc/40/99/69/1068409969.db2.gz PUESMABZXJPTPS-WCQYABFASA-N 1 0 426.904 -1.066 20 0 IAADRO C[C@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C[C@H]1O ZINC001218879283 1068411144 /nfs/dbraw/zinc/41/11/44/1068411144.db2.gz PUESMABZXJPTPS-YPMHNXCESA-N 1 0 426.904 -1.066 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC001218890698 1068410895 /nfs/dbraw/zinc/41/08/95/1068410895.db2.gz LVHUVOOIZPTSSV-FQEVSTJZSA-N 1 0 445.480 -1.019 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC001218890701 1068411045 /nfs/dbraw/zinc/41/10/45/1068411045.db2.gz LVHUVOOIZPTSSV-HXUWFJFHSA-N 1 0 445.480 -1.019 20 0 IAADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218894235 1068410955 /nfs/dbraw/zinc/41/09/55/1068410955.db2.gz PEOKTNMXSZMBQJ-UHFFFAOYSA-N 1 0 428.471 -2.817 20 0 IAADRO CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1 ZINC001218901194 1068410752 /nfs/dbraw/zinc/41/07/52/1068410752.db2.gz BONGZHTXZJFJQI-GWCFXTLKSA-N 1 0 427.483 -1.307 20 0 IAADRO COC(=O)Cc1c(F)ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1F ZINC001218929324 1068411202 /nfs/dbraw/zinc/41/12/02/1068411202.db2.gz PCCXCJDFHCBKKR-UHFFFAOYSA-N 1 0 429.380 -2.074 20 0 IAADRO COc1ccc(OC(F)(F)F)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218934894 1068411228 /nfs/dbraw/zinc/41/12/28/1068411228.db2.gz NHHXFTUVDQNOGG-UHFFFAOYSA-N 1 0 435.359 -1.160 20 0 IAADRO COC(=O)c1cccc(C(=O)OC)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218935647 1068411270 /nfs/dbraw/zinc/41/12/70/1068411270.db2.gz QSDGQMLQJKMGHO-UHFFFAOYSA-N 1 0 437.409 -2.494 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC001218972626 1068411089 /nfs/dbraw/zinc/41/10/89/1068411089.db2.gz BBYCUQDOXLKATJ-UHFFFAOYSA-N 1 0 428.449 -1.094 20 0 IAADRO COC(=O)c1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(OC)cc1Cl ZINC001218984878 1068411116 /nfs/dbraw/zinc/41/11/16/1068411116.db2.gz YZFBGIFQCHNIGB-UHFFFAOYSA-N 1 0 443.844 -1.619 20 0 IAADRO COc1cc2c(cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])N(C(C)=O)CC2 ZINC001218986877 1068411011 /nfs/dbraw/zinc/41/10/11/1068411011.db2.gz FFBZNTFAEXJVJO-UHFFFAOYSA-N 1 0 434.453 -2.150 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC001218989195 1068410796 /nfs/dbraw/zinc/41/07/96/1068410796.db2.gz QRDHXLVYFBPBJH-YOEHRIQHSA-N 1 0 447.540 -1.457 20 0 IAADRO CCOC(=O)c1ccc(OCC)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219008836 1068411064 /nfs/dbraw/zinc/41/10/64/1068411064.db2.gz CRVMDWAKUAVPDQ-UHFFFAOYSA-N 1 0 437.453 -1.492 20 0 IAADRO COC(=O)C1CN(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)C1 ZINC001219126913 1068411158 /nfs/dbraw/zinc/41/11/58/1068411158.db2.gz UGJXQCGGJNDBGZ-UHFFFAOYSA-N 1 0 434.453 -2.458 20 0 IAADRO COc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc1N1CCOCC1 ZINC001219168295 1068410984 /nfs/dbraw/zinc/41/09/84/1068410984.db2.gz ZFCRUIWFPSNLSB-UHFFFAOYSA-N 1 0 436.469 -2.222 20 0 IAADRO CCc1cc(S(C)(=O)=O)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219175449 1068410696 /nfs/dbraw/zinc/41/06/96/1068410696.db2.gz ZDPCYUKDMWGAKD-UHFFFAOYSA-N 1 0 427.483 -2.102 20 0 IAADRO COC(=O)c1cnc2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2c1 ZINC001219181821 1068410847 /nfs/dbraw/zinc/41/08/47/1068410847.db2.gz BOWOXENXDMRHNR-UHFFFAOYSA-N 1 0 430.421 -1.733 20 0 IAADRO COC(=O)c1cc(F)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(C)c1F ZINC001219186612 1068411750 /nfs/dbraw/zinc/41/17/50/1068411750.db2.gz PVUXYRUDHUDTMY-UHFFFAOYSA-N 1 0 429.380 -1.694 20 0 IAADRO COC(=O)c1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc2c1OC[C@@H]1C[C@H]21 ZINC001219217840 1068411726 /nfs/dbraw/zinc/41/17/26/1068411726.db2.gz PMAKYARNOXTKDK-JQWIXIFHSA-N 1 0 447.448 -1.785 20 0 IAADRO COC(=O)c1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc2c1OC[C@H]1C[C@@H]21 ZINC001219217842 1068412147 /nfs/dbraw/zinc/41/21/47/1068412147.db2.gz PMAKYARNOXTKDK-ZYHUDNBSSA-N 1 0 447.448 -1.785 20 0 IAADRO COC(=O)c1cc2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2s1 ZINC001219261907 1068412029 /nfs/dbraw/zinc/41/20/29/1068412029.db2.gz FHUBQICMNBRTNK-UHFFFAOYSA-N 1 0 435.462 -1.066 20 0 IAADRO COC(=O)c1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC2)c(N)c1 ZINC001219312530 1068411979 /nfs/dbraw/zinc/41/19/79/1068411979.db2.gz DUTIUVMINJLCAF-UHFFFAOYSA-N 1 0 434.453 -2.142 20 0 IAADRO COC(=O)c1nn(C)c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc21 ZINC001219366973 1068412098 /nfs/dbraw/zinc/41/20/98/1068412098.db2.gz GFGDLEUKBTYLGC-UHFFFAOYSA-N 1 0 433.425 -2.394 20 0 IAADRO COc1cccc(C(=O)C(F)(F)F)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219396298 1068411833 /nfs/dbraw/zinc/41/18/33/1068411833.db2.gz SMUUPKTWLMPAFL-UHFFFAOYSA-N 1 0 447.370 -1.314 20 0 IAADRO COC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1C(F)(F)F ZINC001219409113 1068412073 /nfs/dbraw/zinc/41/20/73/1068412073.db2.gz VPWUQGCMLGOVRB-UHFFFAOYSA-N 1 0 447.370 -1.262 20 0 IAADRO CCOC(=O)Cc1ccc(Cl)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001219411173 1068411926 /nfs/dbraw/zinc/41/19/26/1068411926.db2.gz YKQABUSBKRIELV-UHFFFAOYSA-N 1 0 441.872 -1.309 20 0 IAADRO CCOC(=O)CCc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1F ZINC001219415077 1068411870 /nfs/dbraw/zinc/41/18/70/1068411870.db2.gz OBZSTHFLAMFORW-UHFFFAOYSA-N 1 0 439.444 -1.433 20 0 IAADRO CS(=O)(=O)c1cc(F)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1F ZINC001219446253 1068411892 /nfs/dbraw/zinc/41/18/92/1068411892.db2.gz DPHZMINERPFDRZ-UHFFFAOYSA-N 1 0 435.409 -2.386 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565353 1068412051 /nfs/dbraw/zinc/41/20/51/1068412051.db2.gz CXSSJZATFFOZFN-UHFFFAOYSA-N 1 0 440.892 -2.478 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCC(=O)N1CCOCC1 ZINC001219572876 1068412127 /nfs/dbraw/zinc/41/21/27/1068412127.db2.gz BGSSVYQTCNPDNT-HOTGVXAUSA-N 1 0 425.530 -1.249 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575427 1068411686 /nfs/dbraw/zinc/41/16/86/1068411686.db2.gz MXVMPRFFBSJYRH-UHFFFAOYSA-N 1 0 432.403 -1.544 20 0 IAADRO CC(C)(C)OC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC001219577667 1068412010 /nfs/dbraw/zinc/41/20/10/1068412010.db2.gz IYWNQHILYOHNEW-SFHVURJKSA-N 1 0 435.481 -1.507 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)c1cccc(Br)c1 ZINC001219578049 1068412980 /nfs/dbraw/zinc/41/29/80/1068412980.db2.gz XMQPNIIMBZXGDB-UHFFFAOYSA-N 1 0 442.270 -1.945 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCS(C)(=O)=O ZINC001219607897 1068413052 /nfs/dbraw/zinc/41/30/52/1068413052.db2.gz GJNVDYVFNLEBFR-RDJZCZTQSA-N 1 0 426.539 -1.026 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621942 1068412953 /nfs/dbraw/zinc/41/29/53/1068412953.db2.gz KIZYRDPWXROKJW-ZKNHNOBHSA-N 1 0 441.504 -1.717 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1cn(C)cn1)C(=O)CF ZINC001219634110 1068412891 /nfs/dbraw/zinc/41/28/91/1068412891.db2.gz OGRBLPWWMHMSII-JDFRZJQESA-N 1 0 426.493 -1.020 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CF ZINC001219671399 1068413047 /nfs/dbraw/zinc/41/30/47/1068413047.db2.gz GISIJMSDNIXNJV-ASHKBJFXSA-N 1 0 436.506 -1.809 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CF ZINC001219671400 1068412916 /nfs/dbraw/zinc/41/29/16/1068412916.db2.gz GISIJMSDNIXNJV-OXIQGZBJSA-N 1 0 436.506 -1.809 20 0 IAADRO [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676242 1068413029 /nfs/dbraw/zinc/41/30/29/1068413029.db2.gz CKHQLDKPGTWBGW-HNNXBMFYSA-N 1 0 426.543 -1.340 20 0 IAADRO [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678103 1068412809 /nfs/dbraw/zinc/41/28/09/1068412809.db2.gz CMWQXCAPNXSQIU-MRXNPFEDSA-N 1 0 443.595 -1.286 20 0 IAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678111 1068413001 /nfs/dbraw/zinc/41/30/01/1068413001.db2.gz CUJOIMHMLROPNV-GJZGRUSLSA-N 1 0 433.575 -1.529 20 0 IAADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678557 1068412859 /nfs/dbraw/zinc/41/28/59/1068412859.db2.gz SOZJUFMUYRWBRE-KKUMJFAQSA-N 1 0 437.632 -1.051 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219678600 1068413771 /nfs/dbraw/zinc/41/37/71/1068413771.db2.gz VSIURVWBLHFVFO-ROUUACIJSA-N 1 0 437.566 -1.183 20 0 IAADRO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678620 1068413640 /nfs/dbraw/zinc/41/36/40/1068413640.db2.gz WVCJJAOIDXWHPN-KRWDZBQOSA-N 1 0 436.538 -1.495 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CN(C)CCO1)C(=O)CF ZINC001219694470 1068413670 /nfs/dbraw/zinc/41/36/70/1068413670.db2.gz JJYITOUKBSJLFZ-LOUJCGABSA-N 1 0 431.509 -1.665 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)C(=O)CF ZINC001219694471 1068413927 /nfs/dbraw/zinc/41/39/27/1068413927.db2.gz JJYITOUKBSJLFZ-WSMBLCCSSA-N 1 0 431.509 -1.665 20 0 IAADRO CN(C)C(=O)CN1Cc2c(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)ncn2-c2ccccc2S1(=O)=O ZINC001219714503 1068413625 /nfs/dbraw/zinc/41/36/25/1068413625.db2.gz MYVQMKURKBEDSF-IUODEOHRSA-N 1 0 448.505 -1.473 20 0 IAADRO CS(=O)(=O)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)nc1 ZINC001219716096 1068413703 /nfs/dbraw/zinc/41/37/03/1068413703.db2.gz AITROHVDTZVJFQ-IRXDYDNUSA-N 1 0 436.490 -1.146 20 0 IAADRO CN(C)C(=O)CN1Cc2c(C(=O)N[C@@H]3COC[C@@H]3[NH3+])ncn2-c2ccccc2S1(=O)=O ZINC001219720681 1068413580 /nfs/dbraw/zinc/41/35/80/1068413580.db2.gz ORWNFCBGOOITBX-QWHCGFSZSA-N 1 0 448.505 -1.079 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739492 1068413817 /nfs/dbraw/zinc/41/38/17/1068413817.db2.gz PZZNCEXZONKUSM-IKGGRYGDSA-N 1 0 435.525 -1.401 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739493 1068413735 /nfs/dbraw/zinc/41/37/35/1068413735.db2.gz PZZNCEXZONKUSM-ULQDDVLXSA-N 1 0 435.525 -1.401 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1cc(F)c(=O)nc1N)C(=O)CF ZINC001219741192 1068413907 /nfs/dbraw/zinc/41/39/07/1068413907.db2.gz CNFQGOPPUWMCMV-FWDPORAESA-N 1 0 430.412 -1.251 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743647 1068413604 /nfs/dbraw/zinc/41/36/04/1068413604.db2.gz IQGSDAAMJNIFEM-RZLSGREXSA-N 1 0 425.530 -1.062 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743648 1068413901 /nfs/dbraw/zinc/41/39/01/1068413901.db2.gz IQGSDAAMJNIFEM-YXWQFLTLSA-N 1 0 425.530 -1.062 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766612 1068414491 /nfs/dbraw/zinc/41/44/91/1068414491.db2.gz YFEMMBRRDXKEDF-XWSJACJDSA-N 1 0 448.568 -1.486 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803011 1068414362 /nfs/dbraw/zinc/41/43/62/1068414362.db2.gz IQAHCKMLJPQMAV-BZSNNMDCSA-N 1 0 449.552 -1.011 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803012 1068414474 /nfs/dbraw/zinc/41/44/74/1068414474.db2.gz IQAHCKMLJPQMAV-SQNIBIBYSA-N 1 0 449.552 -1.011 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814566 1068414611 /nfs/dbraw/zinc/41/46/11/1068414611.db2.gz GKKFSHQEBXZJCB-IAGYGMIVSA-N 1 0 435.525 -1.543 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831449 1068414463 /nfs/dbraw/zinc/41/44/63/1068414463.db2.gz LCIHCOTURCWYFG-ZBRFXRBCSA-N 1 0 435.525 -1.402 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836931 1068414484 /nfs/dbraw/zinc/41/44/84/1068414484.db2.gz GKQRSTGQWXBWNE-GVBSNHICSA-N 1 0 441.529 -1.968 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836935 1068414382 /nfs/dbraw/zinc/41/43/82/1068414382.db2.gz GKQRSTGQWXBWNE-KBVVQZGUSA-N 1 0 441.529 -1.968 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836936 1068414480 /nfs/dbraw/zinc/41/44/80/1068414480.db2.gz GKQRSTGQWXBWNE-SXFSZDQFSA-N 1 0 441.529 -1.968 20 0 IAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836937 1068414642 /nfs/dbraw/zinc/41/46/42/1068414642.db2.gz GKQRSTGQWXBWNE-UNIWCVBUSA-N 1 0 441.529 -1.968 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219849976 1068414421 /nfs/dbraw/zinc/41/44/21/1068414421.db2.gz KNSLMVMPYROFDH-BRFLTPSNSA-N 1 0 435.525 -1.260 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852613 1068414599 /nfs/dbraw/zinc/41/45/99/1068414599.db2.gz WBTFMRLZLMZWHB-VPAKFMSCSA-N 1 0 449.552 -1.155 20 0 IAADRO COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)O ZINC001219881007 1068415335 /nfs/dbraw/zinc/41/53/35/1068415335.db2.gz ONHDQFSZZKHRJI-KCMWZYNZSA-N 1 0 436.509 -1.148 20 0 IAADRO Cn1cc(Br)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1=O ZINC001219881104 1068415409 /nfs/dbraw/zinc/41/54/09/1068415409.db2.gz QHPRXLGOTWWLNS-UHFFFAOYSA-N 1 0 431.247 -2.606 20 0 IAADRO COC(=O)[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[C@@H](C)O ZINC001219881498 1068415420 /nfs/dbraw/zinc/41/54/20/1068415420.db2.gz YJQGRFXNSXNOJU-TVMMDAIPSA-N 1 0 434.465 -2.074 20 0 IAADRO CCOC(=O)CC(=N)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001219882408 1068415354 /nfs/dbraw/zinc/41/53/54/1068415354.db2.gz FVPOVEHLOJGOPI-MMPTUQATSA-N 1 0 431.465 -1.065 20 0 IAADRO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001219890329 1068415257 /nfs/dbraw/zinc/41/52/57/1068415257.db2.gz GXJQRNIZDNVYAU-JAIBIGNHSA-N 1 0 441.504 -1.375 20 0 IAADRO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001219890331 1068415435 /nfs/dbraw/zinc/41/54/35/1068415435.db2.gz GXJQRNIZDNVYAU-MSCSNESTSA-N 1 0 441.504 -1.375 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895599 1068415299 /nfs/dbraw/zinc/41/52/99/1068415299.db2.gz FBWWSNHUYJFRGH-BPUTZDHNSA-N 1 0 443.508 -1.574 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895600 1068415214 /nfs/dbraw/zinc/41/52/14/1068415214.db2.gz FBWWSNHUYJFRGH-IMJJTQAJSA-N 1 0 443.508 -1.574 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896385 1068415228 /nfs/dbraw/zinc/41/52/28/1068415228.db2.gz SKZZQALFUCNVLE-INIZCTEOSA-N 1 0 436.538 -1.061 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896386 1068415308 /nfs/dbraw/zinc/41/53/08/1068415308.db2.gz SKZZQALFUCNVLE-MRXNPFEDSA-N 1 0 436.538 -1.061 20 0 IAADRO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001219899409 1068415384 /nfs/dbraw/zinc/41/53/84/1068415384.db2.gz WHBWETNPADCPSF-LESCRADOSA-N 1 0 447.536 -1.077 20 0 IAADRO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001219899410 1068415368 /nfs/dbraw/zinc/41/53/68/1068415368.db2.gz WHBWETNPADCPSF-ZVZYQTTQSA-N 1 0 447.536 -1.077 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901218 1068415279 /nfs/dbraw/zinc/41/52/79/1068415279.db2.gz FTJXKYXJRWNMQQ-BPNCWPANSA-N 1 0 433.444 -1.193 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901219 1068415401 /nfs/dbraw/zinc/41/54/01/1068415401.db2.gz FTJXKYXJRWNMQQ-GDLCADMTSA-N 1 0 433.444 -1.193 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C=CS(=O)(=O)C1)C(=O)CF ZINC001219945530 1068416080 /nfs/dbraw/zinc/41/60/80/1068416080.db2.gz MERYTBSUKDIPHM-ASHKBJFXSA-N 1 0 434.490 -1.685 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1C=CS(=O)(=O)C1)C(=O)CF ZINC001219945531 1068416255 /nfs/dbraw/zinc/41/62/55/1068416255.db2.gz MERYTBSUKDIPHM-OXIQGZBJSA-N 1 0 434.490 -1.685 20 0 IAADRO CNS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001219960870 1068416298 /nfs/dbraw/zinc/41/62/98/1068416298.db2.gz BLCHJXFHSXVBPA-RDJZCZTQSA-N 1 0 441.554 -1.521 20 0 IAADRO CNS(=O)(=O)CCNC(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001219961154 1068416115 /nfs/dbraw/zinc/41/61/15/1068416115.db2.gz HHTWUKOMZHFNOR-OAHLLOKOSA-N 1 0 429.524 -1.036 20 0 IAADRO CNS(=O)(=O)CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001219961421 1068416005 /nfs/dbraw/zinc/41/60/05/1068416005.db2.gz KENUPZSHRAYKIH-MJVIPROJSA-N 1 0 439.510 -2.447 20 0 IAADRO COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CN1 ZINC001219965248 1068416370 /nfs/dbraw/zinc/41/63/70/1068416370.db2.gz FQHHEPPSZJQJEJ-AWYNBESOSA-N 1 0 445.492 -2.092 20 0 IAADRO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CN1 ZINC001219967825 1068416222 /nfs/dbraw/zinc/41/62/22/1068416222.db2.gz KWLDARKJOWCDCF-DFEOGRTESA-N 1 0 447.536 -1.167 20 0 IAADRO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CN1 ZINC001219968281 1068416340 /nfs/dbraw/zinc/41/63/40/1068416340.db2.gz YIUNKGYRSLQFDE-QRJUGERDSA-N 1 0 425.530 -1.125 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCc1c[nH][nH]c1=O)C(=O)CF ZINC001219969591 1068416132 /nfs/dbraw/zinc/41/61/32/1068416132.db2.gz FUJIUFJMZWITFC-QCQGSNGOSA-N 1 0 442.492 -1.484 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCc1c[nH][nH]c1=O)C(=O)CF ZINC001219969592 1068416168 /nfs/dbraw/zinc/41/61/68/1068416168.db2.gz FUJIUFJMZWITFC-ZWUHOBOKSA-N 1 0 442.492 -1.484 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccccc1N1CCCCCC1 ZINC001219976381 1068416027 /nfs/dbraw/zinc/41/60/27/1068416027.db2.gz ITCBHIWKKNBVGK-UHFFFAOYSA-N 1 0 432.525 -1.010 20 0 IAADRO Cc1nn(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(C)c1Br ZINC001219996846 1068416319 /nfs/dbraw/zinc/41/63/19/1068416319.db2.gz CWHVGDIJISRVEQ-UHFFFAOYSA-N 1 0 446.306 -2.314 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)CF ZINC001220007630 1068416203 /nfs/dbraw/zinc/41/62/03/1068416203.db2.gz RMEYTSBJQVOTQC-LKQDWFRTSA-N 1 0 429.493 -1.375 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)CF ZINC001220007631 1068417220 /nfs/dbraw/zinc/41/72/20/1068417220.db2.gz RMEYTSBJQVOTQC-MRHIQRDNSA-N 1 0 429.493 -1.375 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(CO)CCOCC1)C(=O)CF ZINC001220018607 1068417031 /nfs/dbraw/zinc/41/70/31/1068417031.db2.gz KELXLAWENHSDFQ-XEZPLFJOSA-N 1 0 432.493 -1.454 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@](C)(C(N)=O)C(C)C)C(=O)CF ZINC001220023307 1068417320 /nfs/dbraw/zinc/41/73/20/1068417320.db2.gz VAAOMZBZFDCHFM-CIMWUQIDSA-N 1 0 431.509 -1.096 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@](C)(C(N)=O)C(C)C)C(=O)CF ZINC001220023308 1068417057 /nfs/dbraw/zinc/41/70/57/1068417057.db2.gz VAAOMZBZFDCHFM-UPDUFCCMSA-N 1 0 431.509 -1.096 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC(=O)NC1=O)C(=O)CF ZINC001220028587 1068417266 /nfs/dbraw/zinc/41/72/66/1068417266.db2.gz YDEAUZMFIFFCET-DDIVZENXSA-N 1 0 429.449 -2.191 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCC(=O)NC1=O)C(=O)CF ZINC001220028588 1068417185 /nfs/dbraw/zinc/41/71/85/1068417185.db2.gz YDEAUZMFIFFCET-VEABSNGSSA-N 1 0 429.449 -2.191 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031548 1068417017 /nfs/dbraw/zinc/41/70/17/1068417017.db2.gz XFUONBPBPSGTPY-MPGHIAIKSA-N 1 0 431.493 -1.265 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031551 1068416993 /nfs/dbraw/zinc/41/69/93/1068416993.db2.gz XFUONBPBPSGTPY-VKJFTORMSA-N 1 0 431.493 -1.265 20 0 IAADRO COc1ccc(C[C@@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc1S(N)(=O)=O ZINC001220041513 1068417106 /nfs/dbraw/zinc/41/71/06/1068417106.db2.gz OYBHYPKNUMZQCT-NTZNESFSSA-N 1 0 443.526 -1.513 20 0 IAADRO CCOC(=O)C(=CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)OCC ZINC001220043227 1068417076 /nfs/dbraw/zinc/41/70/76/1068417076.db2.gz JZBPDUVWWAWRIK-HOTGVXAUSA-N 1 0 437.449 -1.135 20 0 IAADRO Cc1cc(C)n(-c2ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)n1 ZINC001220081249 1068417277 /nfs/dbraw/zinc/41/72/77/1068417277.db2.gz BKQJMEZFANYHIL-UHFFFAOYSA-N 1 0 429.481 -1.587 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCSCc1ccccc1Cl ZINC001220084672 1068417203 /nfs/dbraw/zinc/41/72/03/1068417203.db2.gz XNJNZQNPNFLENC-UHFFFAOYSA-N 1 0 429.930 -1.003 20 0 IAADRO O=C(CNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)NCC(=O)OCc1ccccc1 ZINC001220105036 1068417841 /nfs/dbraw/zinc/41/78/41/1068417841.db2.gz SPCLGPXODSURKD-HNNXBMFYSA-N 1 0 427.465 -1.100 20 0 IAADRO O=C(CNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)NCC(=O)OCc1ccccc1 ZINC001220105037 1068417990 /nfs/dbraw/zinc/41/79/90/1068417990.db2.gz SPCLGPXODSURKD-OAHLLOKOSA-N 1 0 427.465 -1.100 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106289 1068417890 /nfs/dbraw/zinc/41/78/90/1068417890.db2.gz HVYZOSGAJGJKJX-HOCLYGCPSA-N 1 0 447.492 -1.583 20 0 IAADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2)cc1 ZINC001220117527 1068417939 /nfs/dbraw/zinc/41/79/39/1068417939.db2.gz LOROTUUTHRSWFM-YXWSMURKSA-N 1 0 438.506 -1.483 20 0 IAADRO CO[C@@H]1COCC[C@H]1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220141800 1068418678 /nfs/dbraw/zinc/41/86/78/1068418678.db2.gz WPLPHIMVQMNSKR-CBAJHEILSA-N 1 0 432.493 -1.192 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220145450 1068418889 /nfs/dbraw/zinc/41/88/89/1068418889.db2.gz CLQSDMDWLWCBHV-QEJZJMRPSA-N 1 0 431.559 -1.385 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccn(C)c(=O)c1)C(=O)CF ZINC001220179905 1068419061 /nfs/dbraw/zinc/41/90/61/1068419061.db2.gz VOAJNRBAAIQGLT-YEWDVWPNSA-N 1 0 439.488 -1.097 20 0 IAADRO COc1cc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc1OC1COC1 ZINC001220193888 1068418819 /nfs/dbraw/zinc/41/88/19/1068418819.db2.gz RVEVKHVHVDDNME-UHFFFAOYSA-N 1 0 437.453 -2.604 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(OC(F)(F)F)ccc1F ZINC001220195411 1068419021 /nfs/dbraw/zinc/41/90/21/1068419021.db2.gz AHOGNXWNNCDRCS-UHFFFAOYSA-N 1 0 437.350 -1.352 20 0 IAADRO COc1cccc(C(F)(F)F)c1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220205108 1068418914 /nfs/dbraw/zinc/41/89/14/1068418914.db2.gz OHTHWEWRECZYLQ-UHFFFAOYSA-N 1 0 433.387 -1.363 20 0 IAADRO CCOC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)OCC ZINC001220231024 1068418756 /nfs/dbraw/zinc/41/87/56/1068418756.db2.gz SYHFLCTWUUQERV-IHRRRGAJSA-N 1 0 428.486 -1.168 20 0 IAADRO CCOC(=O)CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)OCC ZINC001220231151 1068419007 /nfs/dbraw/zinc/41/90/07/1068419007.db2.gz WJIMHPOTDGMYBU-NSHDSACASA-N 1 0 431.446 -3.315 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC(=O)N(C)C1)C(=O)CF ZINC001220246156 1068418965 /nfs/dbraw/zinc/41/89/65/1068418965.db2.gz ZZGTWHSOZGFTBZ-LKQDWFRTSA-N 1 0 429.493 -1.518 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC(=O)N(C)C1)C(=O)CF ZINC001220246157 1068418717 /nfs/dbraw/zinc/41/87/17/1068418717.db2.gz ZZGTWHSOZGFTBZ-MRHIQRDNSA-N 1 0 429.493 -1.518 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220266730 1068418868 /nfs/dbraw/zinc/41/88/68/1068418868.db2.gz VBIDGOVLTBHEPL-WFASDCNBSA-N 1 0 425.511 -1.337 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCS(=O)(=O)N(C)C ZINC001220268300 1068418977 /nfs/dbraw/zinc/41/89/77/1068418977.db2.gz CLUHECOCOLDEGX-KKUMJFAQSA-N 1 0 433.575 -1.137 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1cnn(C)c1)C(=O)CF ZINC001220276976 1068418934 /nfs/dbraw/zinc/41/89/34/1068418934.db2.gz VHOIXXTZWVQGMK-JDFRZJQESA-N 1 0 426.493 -1.020 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282889 1068419635 /nfs/dbraw/zinc/41/96/35/1068419635.db2.gz PZRKBXFYXLTRTL-KFWWJZLASA-N 1 0 444.510 -1.053 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282892 1068419735 /nfs/dbraw/zinc/41/97/35/1068419735.db2.gz PZRKBXFYXLTRTL-ZNMIVQPWSA-N 1 0 444.510 -1.053 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283038 1068419701 /nfs/dbraw/zinc/41/97/01/1068419701.db2.gz RDAMIIWNICQAHV-OAGGEKHMSA-N 1 0 441.506 -1.498 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283039 1068419742 /nfs/dbraw/zinc/41/97/42/1068419742.db2.gz RDAMIIWNICQAHV-XHSDSOJGSA-N 1 0 441.506 -1.498 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283074 1068419596 /nfs/dbraw/zinc/41/95/96/1068419596.db2.gz SDDXSXJVQHBNOL-OWCLPIDISA-N 1 0 439.490 -1.351 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283075 1068419719 /nfs/dbraw/zinc/41/97/19/1068419719.db2.gz SDDXSXJVQHBNOL-PMPSAXMXSA-N 1 0 439.490 -1.351 20 0 IAADRO CCOC(=O)[C@H](NC(=O)/C=C/C(=O)NCC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283258 1068419656 /nfs/dbraw/zinc/41/96/56/1068419656.db2.gz VHMRJLXWYHCLQI-LJFOUZCWSA-N 1 0 427.479 -1.198 20 0 IAADRO CCOC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284913 1068419693 /nfs/dbraw/zinc/41/96/93/1068419693.db2.gz YUJMOOJPGCAXSX-HPEDKQMDSA-N 1 0 445.494 -2.004 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(c2ncccc2Cl)CC1 ZINC001220303837 1068419782 /nfs/dbraw/zinc/41/97/82/1068419782.db2.gz FXZBGUVDMCQNDS-UHFFFAOYSA-N 1 0 439.904 -1.873 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315210 1068419706 /nfs/dbraw/zinc/41/97/06/1068419706.db2.gz APJGOLYSUCFOSF-BXWFABGCSA-N 1 0 433.509 -1.555 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315214 1068419543 /nfs/dbraw/zinc/41/95/43/1068419543.db2.gz APJGOLYSUCFOSF-GJYPPUQNSA-N 1 0 433.509 -1.555 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CNC(=O)CO1)C(=O)CF ZINC001220317099 1068419662 /nfs/dbraw/zinc/41/96/62/1068419662.db2.gz VUWXBBUXJILRKO-BUWBCJGYSA-N 1 0 431.465 -2.481 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CNC(=O)CO1)C(=O)CF ZINC001220317100 1068419614 /nfs/dbraw/zinc/41/96/14/1068419614.db2.gz VUWXBBUXJILRKO-YWDSYVAPSA-N 1 0 431.465 -2.481 20 0 IAADRO Cc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)n(N)c(=O)c1 ZINC001220324165 1068419573 /nfs/dbraw/zinc/41/95/73/1068419573.db2.gz ZDRODRBFNPNSTD-PRXAMGSTSA-N 1 0 440.476 -1.289 20 0 IAADRO COC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)OC(C)(C)C ZINC001220379091 1068419670 /nfs/dbraw/zinc/41/96/70/1068419670.db2.gz LNSVBLAETVOEGZ-JTQLQIEISA-N 1 0 431.446 -3.317 20 0 IAADRO COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)OC(C)(C)C ZINC001220382217 1068420566 /nfs/dbraw/zinc/42/05/66/1068420566.db2.gz SZZOWEGFJRJHCB-AVGNSLFASA-N 1 0 428.486 -1.170 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1COCCN1C)C(=O)CF ZINC001220382305 1068420795 /nfs/dbraw/zinc/42/07/95/1068420795.db2.gz UWFTZVOWXDOIAG-LOUJCGABSA-N 1 0 431.509 -1.665 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1COCCN1C)C(=O)CF ZINC001220382309 1068420622 /nfs/dbraw/zinc/42/06/22/1068420622.db2.gz UWFTZVOWXDOIAG-WSMBLCCSSA-N 1 0 431.509 -1.665 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391508 1068420510 /nfs/dbraw/zinc/42/05/10/1068420510.db2.gz IXTNWUDVMAHJJQ-ROUUACIJSA-N 1 0 444.492 -1.318 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(Cl)nn(-c2ccccc2)c1=O ZINC001220396832 1068420460 /nfs/dbraw/zinc/42/04/60/1068420460.db2.gz NZCRDXZYNWNSBU-UHFFFAOYSA-N 1 0 449.855 -1.868 20 0 IAADRO CC(C)CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)OC(C)(C)C ZINC001220400866 1068420411 /nfs/dbraw/zinc/42/04/11/1068420411.db2.gz OGVDQZYTHRMIJP-CYBMUJFWSA-N 1 0 429.518 -1.444 20 0 IAADRO CC(C)CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)OC(C)(C)C ZINC001220400867 1068420760 /nfs/dbraw/zinc/42/07/60/1068420760.db2.gz OGVDQZYTHRMIJP-ZDUSSCGKSA-N 1 0 429.518 -1.444 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001220415425 1068420534 /nfs/dbraw/zinc/42/05/34/1068420534.db2.gz KFIQEJNNFRBEGG-ZFWWWQNUSA-N 1 0 442.476 -1.071 20 0 IAADRO Cn1c(=O)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(-c2ccccc2)c1=O ZINC001220415749 1068420650 /nfs/dbraw/zinc/42/06/50/1068420650.db2.gz VLVUMRKYMNBXHZ-UHFFFAOYSA-N 1 0 445.436 -3.218 20 0 IAADRO CCCn1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc(=O)n(CCC)c1=O ZINC001220424371 1068420677 /nfs/dbraw/zinc/42/06/77/1068420677.db2.gz DAGCDZHDXUZUNX-UHFFFAOYSA-N 1 0 439.473 -2.924 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)CF ZINC001220424509 1068420767 /nfs/dbraw/zinc/42/07/67/1068420767.db2.gz JMSKNUYPDBVXAA-YHAQOWFVSA-N 1 0 442.448 -1.674 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433841 1068420592 /nfs/dbraw/zinc/42/05/92/1068420592.db2.gz KWGQNNDHFSWZEO-WFASDCNBSA-N 1 0 441.510 -1.969 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433920 1068420754 /nfs/dbraw/zinc/42/07/54/1068420754.db2.gz NUYPCSVCXOYERZ-UHFFFAOYSA-N 1 0 434.540 -1.456 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H](CO)C(F)(F)F)C(=O)CF ZINC001220447768 1068420488 /nfs/dbraw/zinc/42/04/88/1068420488.db2.gz PMAFJVMYWONUNH-LKVCOOQKSA-N 1 0 430.399 -1.073 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CO)C(F)(F)F)C(=O)CF ZINC001220447769 1068420726 /nfs/dbraw/zinc/42/07/26/1068420726.db2.gz PMAFJVMYWONUNH-PZEZNAACSA-N 1 0 430.399 -1.073 20 0 IAADRO COc1ccccc1C1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCOCC1 ZINC001220448184 1068420781 /nfs/dbraw/zinc/42/07/81/1068420781.db2.gz ZBEOCGBTPMLFLO-UHFFFAOYSA-N 1 0 449.508 -1.833 20 0 IAADRO CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N1CCOCC1 ZINC001220454556 1068420703 /nfs/dbraw/zinc/42/07/03/1068420703.db2.gz ZPHTZDNNOZIOMO-BZSNNMDCSA-N 1 0 436.509 -1.261 20 0 IAADRO COC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220456078 1068420738 /nfs/dbraw/zinc/42/07/38/1068420738.db2.gz AZLINWHXLRVOGV-AWEZNQCLSA-N 1 0 437.453 -2.832 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCC(=O)OCc1ccccc1 ZINC001220460801 1068420439 /nfs/dbraw/zinc/42/04/39/1068420439.db2.gz ZGFIOCIDJYDHCM-UHFFFAOYSA-N 1 0 435.481 -1.676 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001220484336 1068421157 /nfs/dbraw/zinc/42/11/57/1068421157.db2.gz ABNXCFBRYLZMTK-UHFFFAOYSA-N 1 0 443.386 -1.209 20 0 IAADRO CCS(=O)(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001220490076 1068421245 /nfs/dbraw/zinc/42/12/45/1068421245.db2.gz RVUARIXZTXQRCY-UHFFFAOYSA-N 1 0 427.483 -2.596 20 0 IAADRO CC(C)(C)C(=O)N1CCC(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001220495011 1068421308 /nfs/dbraw/zinc/42/13/08/1068421308.db2.gz UHTRVAYRIYYZDN-UHFFFAOYSA-N 1 0 426.518 -2.305 20 0 IAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1O ZINC001220514219 1068422134 /nfs/dbraw/zinc/42/21/34/1068422134.db2.gz BLCAGKRRROAWSL-OEGBYYGISA-N 1 0 431.497 -1.127 20 0 IAADRO COCCOCCOCCOCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220514335 1068422143 /nfs/dbraw/zinc/42/21/43/1068422143.db2.gz GVRNZVNNJNZBRV-HOTGVXAUSA-N 1 0 432.518 -1.747 20 0 IAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CCSC23C[NH2+]C3)[C@H]1O ZINC001220514375 1068422003 /nfs/dbraw/zinc/42/20/03/1068422003.db2.gz JFQFITFKHJOKPM-BDIZYMIYSA-N 1 0 449.537 -1.277 20 0 IAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CCSC23C[NH2+]C3)[C@H]1O ZINC001220514376 1068422028 /nfs/dbraw/zinc/42/20/28/1068422028.db2.gz JFQFITFKHJOKPM-YJDSPBOISA-N 1 0 449.537 -1.277 20 0 IAADRO COCCOCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220515000 1068422043 /nfs/dbraw/zinc/42/20/43/1068422043.db2.gz ZIKOLYKYBLFRKK-UHFFFAOYSA-N 1 0 435.478 -3.894 20 0 IAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519396 1068422980 /nfs/dbraw/zinc/42/29/80/1068422980.db2.gz MSRLWJACIBWKJC-IRXDYDNUSA-N 1 0 441.529 -1.787 20 0 IAADRO CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC[NH2+]C1 ZINC001220523348 1068422725 /nfs/dbraw/zinc/42/27/25/1068422725.db2.gz NQEZEWBLTFEJKB-SRVKXCTJSA-N 1 0 425.486 -1.553 20 0 IAADRO CCCCCCOC(=O)CCC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220567611 1068422890 /nfs/dbraw/zinc/42/28/90/1068422890.db2.gz HHHMXROUOVBOSL-UHFFFAOYSA-N 1 0 443.501 -2.117 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CC2(COC2)C1)C(=O)CF ZINC001220571184 1068422830 /nfs/dbraw/zinc/42/28/30/1068422830.db2.gz LGBTXKMRCRLIQH-ZQIUZPCESA-N 1 0 443.520 -1.664 20 0 IAADRO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220576247 1068422709 /nfs/dbraw/zinc/42/27/09/1068422709.db2.gz WLLZXGDNFIJHDV-KXBFYZLASA-N 1 0 449.508 -1.781 20 0 IAADRO COC(=O)CNC(=O)CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220576282 1068422719 /nfs/dbraw/zinc/42/27/19/1068422719.db2.gz WZFWJNCITSPJSF-MMPTUQATSA-N 1 0 447.464 -2.707 20 0 IAADRO COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220576376 1068422773 /nfs/dbraw/zinc/42/27/73/1068422773.db2.gz YZXKFCOVLAHVGK-IHRRRGAJSA-N 1 0 427.502 -1.739 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCCN(C)C1=O)C(=O)CF ZINC001220591108 1068423917 /nfs/dbraw/zinc/42/39/17/1068423917.db2.gz XHFPVUKUVIYALN-QCQGSNGOSA-N 1 0 429.493 -1.375 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1)C(N)=O ZINC001220622585 1068423600 /nfs/dbraw/zinc/42/36/00/1068423600.db2.gz QCMVPZMGTGWSGW-GXTWGEPZSA-N 1 0 440.526 -1.552 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220623204 1068423633 /nfs/dbraw/zinc/42/36/33/1068423633.db2.gz YSMPTHBDMDBLDU-AAEUAGOBSA-N 1 0 426.499 -1.942 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1cc(C(F)(F)F)ccc1F ZINC001220627790 1068423735 /nfs/dbraw/zinc/42/37/35/1068423735.db2.gz JKRPQHANYMAHQZ-UHFFFAOYSA-N 1 0 435.378 -1.190 20 0 IAADRO COc1ccc2cccc(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2c1 ZINC001220646057 1068423802 /nfs/dbraw/zinc/42/38/02/1068423802.db2.gz JMMUJDBJNZXXHT-UHFFFAOYSA-N 1 0 429.477 -1.186 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccccc1OC1CCOCC1 ZINC001220663543 1068423836 /nfs/dbraw/zinc/42/38/36/1068423836.db2.gz HLSRMZISASXMOB-UHFFFAOYSA-N 1 0 435.481 -1.832 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220689160 1068423709 /nfs/dbraw/zinc/42/37/09/1068423709.db2.gz DNEFCDANLSGTDG-INIZCTEOSA-N 1 0 446.508 -2.151 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220689161 1068423888 /nfs/dbraw/zinc/42/38/88/1068423888.db2.gz DNEFCDANLSGTDG-MRXNPFEDSA-N 1 0 446.508 -2.151 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCOC[C@H]1C)C(=O)CF ZINC001220725409 1068423822 /nfs/dbraw/zinc/42/38/22/1068423822.db2.gz RFDDBJDNSOQSOM-LLDVTBCESA-N 1 0 445.536 -1.275 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCOC[C@@H]1C)C(=O)CF ZINC001220725410 1068423765 /nfs/dbraw/zinc/42/37/65/1068423765.db2.gz RFDDBJDNSOQSOM-XSWJXKHESA-N 1 0 445.536 -1.275 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1c(I)c(Cl)nn(C)c1=O ZINC001220730002 1068423903 /nfs/dbraw/zinc/42/39/03/1068423903.db2.gz OEYXWHYBXZZLKL-WHFBIAKZSA-N 1 0 443.629 -1.199 20 0 IAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CCNCC2=O)c2nonc21 ZINC001220747923 1068424424 /nfs/dbraw/zinc/42/44/24/1068424424.db2.gz CCAQTFDDHONQGW-UHFFFAOYSA-N 1 0 425.471 -1.803 20 0 IAADRO CC(=O)NC[C@H](C)CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220756747 1068424491 /nfs/dbraw/zinc/42/44/91/1068424491.db2.gz JCHKWOXAEJQIJT-GWIFVGGISA-N 1 0 431.509 -1.224 20 0 IAADRO CC(=O)NC[C@@H](C)CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220756748 1068425199 /nfs/dbraw/zinc/42/51/99/1068425199.db2.gz JCHKWOXAEJQIJT-NVNVUAJTSA-N 1 0 431.509 -1.224 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220757094 1068425358 /nfs/dbraw/zinc/42/53/58/1068425358.db2.gz UAXOXMTYLXLCED-IRXDYDNUSA-N 1 0 442.538 -2.024 20 0 IAADRO CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220760666 1068425241 /nfs/dbraw/zinc/42/52/41/1068425241.db2.gz PWNSJTRYHFKYON-HGKQWUQQSA-N 1 0 441.485 -1.557 20 0 IAADRO CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220760711 1068425255 /nfs/dbraw/zinc/42/52/55/1068425255.db2.gz RNVSJEPGFZTKTL-WGYBXSNTSA-N 1 0 434.515 -1.044 20 0 IAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](O)C[NH3+])cc1 ZINC001220766327 1068425331 /nfs/dbraw/zinc/42/53/31/1068425331.db2.gz QGLKXTZGWNVXOH-IQNGCQKYSA-N 1 0 448.432 -1.823 20 0 IAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](N)C[NH3+])cc1 ZINC001220766811 1068425408 /nfs/dbraw/zinc/42/54/08/1068425408.db2.gz XYZFEHPXAMXHHH-IQNGCQKYSA-N 1 0 447.448 -1.857 20 0 IAADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220772941 1068425281 /nfs/dbraw/zinc/42/52/81/1068425281.db2.gz WFWPRNBPKLTHOR-BBWFWOEESA-N 1 0 433.465 -1.627 20 0 IAADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220772942 1068425204 /nfs/dbraw/zinc/42/52/04/1068425204.db2.gz WFWPRNBPKLTHOR-ULQDDVLXSA-N 1 0 433.465 -1.627 20 0 IAADRO C[C@H](Cc1ccccc1Br)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220818988 1068425401 /nfs/dbraw/zinc/42/54/01/1068425401.db2.gz MRFZEXRQXINNTQ-LLVKDONJSA-N 1 0 442.314 -1.196 20 0 IAADRO C[C@@H](Cc1ccccc1Br)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220818989 1068425220 /nfs/dbraw/zinc/42/52/20/1068425220.db2.gz MRFZEXRQXINNTQ-NSHDSACASA-N 1 0 442.314 -1.196 20 0 IAADRO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)C[NH2+]C1 ZINC001220830239 1068425376 /nfs/dbraw/zinc/42/53/76/1068425376.db2.gz SSIRIHKCJGMTFT-IRXDYDNUSA-N 1 0 449.508 -1.359 20 0 IAADRO CSCC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C(N)=O ZINC001220839665 1068425366 /nfs/dbraw/zinc/42/53/66/1068425366.db2.gz BWXKJANWXRDFLQ-ASHKBJFXSA-N 1 0 449.549 -1.389 20 0 IAADRO CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)C[NH2+]C1 ZINC001220853304 1068425234 /nfs/dbraw/zinc/42/52/34/1068425234.db2.gz VFCLVIXZOVGQOD-GJZGRUSLSA-N 1 0 437.497 -1.874 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCNCC1=O ZINC001220874151 1068425294 /nfs/dbraw/zinc/42/52/94/1068425294.db2.gz AUCHKSNQBGYAKK-PXNSSMCTSA-N 1 0 446.552 -1.639 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCNCC1=O)C(=O)CF ZINC001220875195 1068425914 /nfs/dbraw/zinc/42/59/14/1068425914.db2.gz WXKXDDOHRNUQBA-DCGLDWPTSA-N 1 0 444.508 -2.564 20 0 IAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878917 1068425894 /nfs/dbraw/zinc/42/58/94/1068425894.db2.gz WPBGLQXUUHUMCU-HOTGVXAUSA-N 1 0 434.449 -2.203 20 0 IAADRO COC(=O)[C@H]1C[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220882720 1068426160 /nfs/dbraw/zinc/42/61/60/1068426160.db2.gz ZPEFZSGGIQSAHB-AWYNBESOSA-N 1 0 430.477 -1.187 20 0 IAADRO COC(=O)[C@@H]1C[C@H]1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220882721 1068426000 /nfs/dbraw/zinc/42/60/00/1068426000.db2.gz ZPEFZSGGIQSAHB-DJUFWWRVSA-N 1 0 430.477 -1.187 20 0 IAADRO COC(=O)[C@H]1C[C@H]1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220882722 1068426077 /nfs/dbraw/zinc/42/60/77/1068426077.db2.gz ZPEFZSGGIQSAHB-YTORKDELSA-N 1 0 430.477 -1.187 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220882723 1068426194 /nfs/dbraw/zinc/42/61/94/1068426194.db2.gz ZPEFZSGGIQSAHB-ZWEPEPIOSA-N 1 0 430.477 -1.187 20 0 IAADRO CCN(CC)C(=O)N1CCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001220911891 1068426054 /nfs/dbraw/zinc/42/60/54/1068426054.db2.gz YBTRAYDCDDEERQ-UHFFFAOYSA-N 1 0 427.506 -2.664 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920712 1068425961 /nfs/dbraw/zinc/42/59/61/1068425961.db2.gz KWEYHPFCMPOLFR-LBPRGKRZSA-N 1 0 436.444 -2.536 20 0 IAADRO CS(=O)(=O)N1CCC(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001220926754 1068425941 /nfs/dbraw/zinc/42/59/41/1068425941.db2.gz YOWOQOHLACECQZ-IRXDYDNUSA-N 1 0 442.538 -1.473 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928258 1068426210 /nfs/dbraw/zinc/42/62/10/1068426210.db2.gz IZMOXAPLZCLXFE-UHFFFAOYSA-N 1 0 447.496 -2.643 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966670 1068426767 /nfs/dbraw/zinc/42/67/67/1068426767.db2.gz ARKQAPODFHHICE-CAOSSQGBSA-N 1 0 431.449 -1.309 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966710 1068426799 /nfs/dbraw/zinc/42/67/99/1068426799.db2.gz CRDZXIZJGVVVLT-WUHRBBMRSA-N 1 0 428.467 -2.201 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966711 1068426670 /nfs/dbraw/zinc/42/66/70/1068426670.db2.gz CRDZXIZJGVVVLT-YVECIDJPSA-N 1 0 428.467 -2.201 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966978 1068426749 /nfs/dbraw/zinc/42/67/49/1068426749.db2.gz NKQCZBOVQXSOKX-IGQOVBAYSA-N 1 0 446.468 -2.040 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966979 1068426661 /nfs/dbraw/zinc/42/66/61/1068426661.db2.gz NKQCZBOVQXSOKX-XJFOESAGSA-N 1 0 446.468 -2.040 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967110 1068426714 /nfs/dbraw/zinc/42/67/14/1068426714.db2.gz RZGKBHCFMNRIPA-RFBLXINOSA-N 1 0 435.481 -1.235 20 0 IAADRO Cc1cn([C@H]2C[C@H](NC(=O)c3cnc(N4CC[NH2+]CC4)cn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220969368 1068426721 /nfs/dbraw/zinc/42/67/21/1068426721.db2.gz YXJKZZJFJNBIQX-JGGQBBKZSA-N 1 0 431.453 -1.465 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1)C(N)=O ZINC001220971262 1068426821 /nfs/dbraw/zinc/42/68/21/1068426821.db2.gz ZJAYGMZUZBYNTD-GOEBONIOSA-N 1 0 432.525 -1.280 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990436 1068427560 /nfs/dbraw/zinc/42/75/60/1068427560.db2.gz MANLKGFRRDAXMX-UHFFFAOYSA-N 1 0 434.453 -3.027 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220999285 1068427622 /nfs/dbraw/zinc/42/76/22/1068427622.db2.gz VJNPJLOATBIRLT-UHFFFAOYSA-N 1 0 434.497 -2.156 20 0 IAADRO COC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C(N)=O ZINC001221018434 1068427528 /nfs/dbraw/zinc/42/75/28/1068427528.db2.gz CILLGOSCXBEAAY-IHRRRGAJSA-N 1 0 427.502 -1.691 20 0 IAADRO COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(N)=O ZINC001221019572 1068427511 /nfs/dbraw/zinc/42/75/11/1068427511.db2.gz YUDOAANLPMOVNT-AJNGGQMLSA-N 1 0 441.529 -1.221 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001221022449 1068427570 /nfs/dbraw/zinc/42/75/70/1068427570.db2.gz ZCICCQXKBSDHPP-KRWDZBQOSA-N 1 0 444.414 -1.025 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001221022450 1068427539 /nfs/dbraw/zinc/42/75/39/1068427539.db2.gz ZCICCQXKBSDHPP-QGZVFWFLSA-N 1 0 444.414 -1.025 20 0 IAADRO COCCC1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCS(=O)(=O)CC1 ZINC001221025830 1068427654 /nfs/dbraw/zinc/42/76/54/1068427654.db2.gz JGHWBPWKOVVMMQ-UHFFFAOYSA-N 1 0 435.503 -3.606 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1)C(N)=O ZINC001221028167 1068427633 /nfs/dbraw/zinc/42/76/33/1068427633.db2.gz IGNMWTKUAQMGHZ-DZGCQCFKSA-N 1 0 439.538 -1.215 20 0 IAADRO COCCC1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCS(=O)(=O)CC1 ZINC001221028465 1068427590 /nfs/dbraw/zinc/42/75/90/1068427590.db2.gz SELWQKJPJIIORW-KBPBESRZSA-N 1 0 432.543 -1.459 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028661 1068427601 /nfs/dbraw/zinc/42/76/01/1068427601.db2.gz YEENBJCZOFHUPV-JSGCOSHPSA-N 1 0 425.511 -1.605 20 0 IAADRO CCC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)OCc1ccccc1 ZINC001221055977 1068427319 /nfs/dbraw/zinc/42/73/19/1068427319.db2.gz AKKFWEDZMNWNCH-OAHLLOKOSA-N 1 0 435.481 -1.678 20 0 IAADRO CCC(CC)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072837 1068427426 /nfs/dbraw/zinc/42/74/26/1068427426.db2.gz URMLATBVRCPNRX-LZEKZJAISA-N 1 0 426.514 -1.201 20 0 IAADRO CCC(CC)[C@@H](NC(=O)c1ncn2c1nnn(C)c2=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221076292 1068427362 /nfs/dbraw/zinc/42/73/62/1068427362.db2.gz RPJBUVZSAIIOJK-KMCWBVRRSA-N 1 0 435.485 -1.145 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(OCC2CCOCC2)cc1 ZINC001221078789 1068427577 /nfs/dbraw/zinc/42/75/77/1068427577.db2.gz SQFJEMTZZBIAGC-UHFFFAOYSA-N 1 0 449.508 -1.585 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(Oc2ccccn2)cc1 ZINC001221082371 1068427449 /nfs/dbraw/zinc/42/74/49/1068427449.db2.gz RFSSSQTUHYJIMG-UHFFFAOYSA-N 1 0 428.449 -1.203 20 0 IAADRO COCCC1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC(F)(F)CC1 ZINC001221103716 1068428505 /nfs/dbraw/zinc/42/85/05/1068428505.db2.gz OUQXTEQQXVHVRO-UHFFFAOYSA-N 1 0 435.472 -1.358 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221153203 1068428271 /nfs/dbraw/zinc/42/82/71/1068428271.db2.gz DRWCQMNMAQGMAO-UHFFFAOYSA-N 1 0 447.496 -2.088 20 0 IAADRO COCCOc1nccc(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001221157411 1068428443 /nfs/dbraw/zinc/42/84/43/1068428443.db2.gz HITKWFXPVZESKN-IRXDYDNUSA-N 1 0 433.465 -1.129 20 0 IAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221157808 1068428550 /nfs/dbraw/zinc/42/85/50/1068428550.db2.gz OFVLXRQJRMQSST-WFASDCNBSA-N 1 0 425.511 -1.060 20 0 IAADRO COc1ccccc1CC1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC1 ZINC001221163973 1068428525 /nfs/dbraw/zinc/42/85/25/1068428525.db2.gz IUWTYRZVIVDACY-UHFFFAOYSA-N 1 0 433.509 -1.169 20 0 IAADRO Cc1cccc(C2(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCOCC2)n1 ZINC001221173120 1068428302 /nfs/dbraw/zinc/42/83/02/1068428302.db2.gz WKHOXTYUISWJIR-UHFFFAOYSA-N 1 0 434.497 -2.138 20 0 IAADRO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001221190495 1068428572 /nfs/dbraw/zinc/42/85/72/1068428572.db2.gz POQVUYBMSPWMHJ-JYJNAYRXSA-N 1 0 439.513 -1.499 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@H](OCc2ccccc2)CC1 ZINC001221199524 1068428423 /nfs/dbraw/zinc/42/84/23/1068428423.db2.gz NUQPXDUVXMMEIV-CALCHBBNSA-N 1 0 433.509 -1.062 20 0 IAADRO CC(C)CC1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCS(=O)(=O)CC1 ZINC001221215480 1068428606 /nfs/dbraw/zinc/42/86/06/1068428606.db2.gz QRNUYXMARWDKNL-UHFFFAOYSA-N 1 0 433.531 -2.597 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN1CC[NH2+]CC1)C(N)=O ZINC001221231865 1068428245 /nfs/dbraw/zinc/42/82/45/1068428245.db2.gz CAOYHJISORMQRN-GJZGRUSLSA-N 1 0 444.602 -1.738 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC001221231929 1068428396 /nfs/dbraw/zinc/42/83/96/1068428396.db2.gz DAXSCIBIQUAUAR-IHRRRGAJSA-N 1 0 431.559 -1.655 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC001221231940 1068428351 /nfs/dbraw/zinc/42/83/51/1068428351.db2.gz DAXSCIBIQUAUAR-MELADBBJSA-N 1 0 431.559 -1.655 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]12C[NH2+][C@@H](CO1)C2)C(N)=O ZINC001221232522 1068428412 /nfs/dbraw/zinc/42/84/12/1068428412.db2.gz KGDHQUSFNFMNNV-UMCXVIDHSA-N 1 0 443.570 -1.512 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21)C(N)=O ZINC001221232547 1068429150 /nfs/dbraw/zinc/42/91/50/1068429150.db2.gz KJIVPWXGYMHBEA-RGHULWKBSA-N 1 0 427.571 -1.178 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CCCO1)C(N)=O ZINC001221233316 1068429041 /nfs/dbraw/zinc/42/90/41/1068429041.db2.gz ZCRVEOSXBJSRSI-KKUMJFAQSA-N 1 0 445.586 -1.265 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[NH2+]CCC1=O)C(N)=O ZINC001221234129 1068429048 /nfs/dbraw/zinc/42/90/48/1068429048.db2.gz DRGNOYYOZFXIJL-IHRRRGAJSA-N 1 0 443.570 -1.465 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CCC1=O)C(N)=O ZINC001221234130 1068429030 /nfs/dbraw/zinc/42/90/30/1068429030.db2.gz DRGNOYYOZFXIJL-RDBSUJKOSA-N 1 0 443.570 -1.465 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)C(N)=O ZINC001221234355 1068429169 /nfs/dbraw/zinc/42/91/69/1068429169.db2.gz FHSGQFACPMXYBZ-USRAEIGSSA-N 1 0 427.571 -1.035 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C[C@@H]1COCC[NH2+]1)C(N)=O ZINC001221234439 1068429122 /nfs/dbraw/zinc/42/91/22/1068429122.db2.gz HWQCRZGTBNYUDW-ILXRZTDVSA-N 1 0 445.586 -1.265 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C[C@H]1COCC[NH2+]1)C(N)=O ZINC001221234441 1068429082 /nfs/dbraw/zinc/42/90/82/1068429082.db2.gz HWQCRZGTBNYUDW-KKUMJFAQSA-N 1 0 445.586 -1.265 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CCN1C)C(N)=O ZINC001221234489 1068429106 /nfs/dbraw/zinc/42/91/06/1068429106.db2.gz IPGWJKXCJWPORZ-KKUMJFAQSA-N 1 0 444.602 -1.740 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[NH2+]CCN1C)C(N)=O ZINC001221234493 1068429075 /nfs/dbraw/zinc/42/90/75/1068429075.db2.gz IPGWJKXCJWPORZ-SOUVJXGZSA-N 1 0 444.602 -1.740 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(N)=O ZINC001221234714 1068430224 /nfs/dbraw/zinc/43/02/24/1068430224.db2.gz KJIVPWXGYMHBEA-HCZIRCDUSA-N 1 0 427.571 -1.178 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CC[C@@H]([NH3+])CO1)C(N)=O ZINC001221235099 1068429951 /nfs/dbraw/zinc/42/99/51/1068429951.db2.gz QRIJKAAPUGQKFG-QPSCCSFWSA-N 1 0 445.586 -1.137 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C[C@H]1C[NH2+]CCO1)C(N)=O ZINC001221235174 1068429894 /nfs/dbraw/zinc/42/98/94/1068429894.db2.gz VAIMZNRJNGRBBQ-KKUMJFAQSA-N 1 0 445.586 -1.265 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1COC[C@H]1[NH3+])C(N)=O ZINC001221235287 1068429872 /nfs/dbraw/zinc/42/98/72/1068429872.db2.gz ZHYTYXSHTNIMBJ-CRWXNKLISA-N 1 0 431.559 -1.670 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CN(C2COC2)C1)C(=O)CF ZINC001221246201 1068430104 /nfs/dbraw/zinc/43/01/04/1068430104.db2.gz SYPRQJKFGQDCLJ-YLVFBTJISA-N 1 0 429.493 -1.913 20 0 IAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221256514 1068430146 /nfs/dbraw/zinc/43/01/46/1068430146.db2.gz AVBUCYFGUQMRED-LBPRGKRZSA-N 1 0 425.446 -3.682 20 0 IAADRO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221256577 1068430235 /nfs/dbraw/zinc/43/02/35/1068430235.db2.gz CUFWLWJALNCVJF-BZSNNMDCSA-N 1 0 447.492 -1.237 20 0 IAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCOCCOCCOCCC(=O)OC(C)(C)C ZINC001221259192 1068429876 /nfs/dbraw/zinc/42/98/76/1068429876.db2.gz WFZGJYZGTMNWOT-GJZGRUSLSA-N 1 0 435.518 -1.292 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCCNC(=O)C1)C(=O)CF ZINC001221268410 1068430130 /nfs/dbraw/zinc/43/01/30/1068430130.db2.gz AMVMDDNGLKHBCF-LKQDWFRTSA-N 1 0 429.493 -1.327 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCCNC(=O)C1)C(=O)CF ZINC001221268426 1068430077 /nfs/dbraw/zinc/43/00/77/1068430077.db2.gz AMVMDDNGLKHBCF-MRHIQRDNSA-N 1 0 429.493 -1.327 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221311982 1068429917 /nfs/dbraw/zinc/42/99/17/1068429917.db2.gz QHAKJKIVHOIJRY-UHFFFAOYSA-N 1 0 446.420 -2.006 20 0 IAADRO Cc1cnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c(=O)[nH]1 ZINC001221328190 1068430039 /nfs/dbraw/zinc/43/00/39/1068430039.db2.gz JPZMARAHEMPRIX-MJVIPROJSA-N 1 0 426.449 -1.082 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1cc(Br)cs1 ZINC001221330354 1068431083 /nfs/dbraw/zinc/43/10/83/1068431083.db2.gz DVTMJFKVXMXOBL-UHFFFAOYSA-N 1 0 434.316 -1.523 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCN1CCCS1(=O)=O ZINC001221335052 1068430909 /nfs/dbraw/zinc/43/09/09/1068430909.db2.gz BRTDSIDMYWKVDY-GJZGRUSLSA-N 1 0 431.559 -1.463 20 0 IAADRO COc1ccccc1[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1nnc(C)o1 ZINC001221336260 1068430986 /nfs/dbraw/zinc/43/09/86/1068430986.db2.gz KHAGPPPXQGAWAS-GOSISDBHSA-N 1 0 447.452 -2.100 20 0 IAADRO COc1ccccc1[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1nnc(C)o1 ZINC001221336273 1068431000 /nfs/dbraw/zinc/43/10/00/1068431000.db2.gz KHAGPPPXQGAWAS-SFHVURJKSA-N 1 0 447.452 -2.100 20 0 IAADRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221336842 1068430859 /nfs/dbraw/zinc/43/08/59/1068430859.db2.gz LCTIEMAQVJADSL-AJNGGQMLSA-N 1 0 443.545 -1.071 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221347609 1068431098 /nfs/dbraw/zinc/43/10/98/1068431098.db2.gz AHYKEBPEWSLFQS-QAETUUGQSA-N 1 0 445.524 -1.344 20 0 IAADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001221347652 1068431053 /nfs/dbraw/zinc/43/10/53/1068431053.db2.gz AXTHLFQVILGTNV-ULQDDVLXSA-N 1 0 441.492 -1.418 20 0 IAADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347766 1068430921 /nfs/dbraw/zinc/43/09/21/1068430921.db2.gz DJMTYPKVXQNOMT-IHRRRGAJSA-N 1 0 425.515 -1.933 20 0 IAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348153 1068430887 /nfs/dbraw/zinc/43/08/87/1068430887.db2.gz HFTZFLJMQNJYRE-STQMWFEESA-N 1 0 429.503 -2.866 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001221348471 1068431110 /nfs/dbraw/zinc/43/11/10/1068431110.db2.gz JTPZEKVVDVHDQH-GJZGRUSLSA-N 1 0 434.497 -1.072 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001221348494 1068430823 /nfs/dbraw/zinc/43/08/23/1068430823.db2.gz KHLUZMBPEWHUIA-BZSNNMDCSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001221348497 1068430969 /nfs/dbraw/zinc/43/09/69/1068430969.db2.gz KHLUZMBPEWHUIA-SQNIBIBYSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221348537 1068431139 /nfs/dbraw/zinc/43/11/39/1068431139.db2.gz LEOBLQADQAQEOK-HOCLYGCPSA-N 1 0 441.496 -1.573 20 0 IAADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348619 1068430942 /nfs/dbraw/zinc/43/09/42/1068430942.db2.gz LZLGXXDEVCFTSN-TUUVXOQKSA-N 1 0 435.529 -1.209 20 0 IAADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)COC1(C)C ZINC001221348623 1068431123 /nfs/dbraw/zinc/43/11/23/1068431123.db2.gz MEKDAXJBBZMZQB-MXAVVETBSA-N 1 0 449.512 -1.776 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221348873 1068431133 /nfs/dbraw/zinc/43/11/33/1068431133.db2.gz PFZTVWCVNXLPRR-BGTYHANMSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221348874 1068431727 /nfs/dbraw/zinc/43/17/27/1068431727.db2.gz PFZTVWCVNXLPRR-DKIMLUQUSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221348875 1068431828 /nfs/dbraw/zinc/43/18/28/1068431828.db2.gz PFZTVWCVNXLPRR-RANZSIQMSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221348876 1068431798 /nfs/dbraw/zinc/43/17/98/1068431798.db2.gz PFZTVWCVNXLPRR-UBDQQSCGSA-N 1 0 431.541 -1.013 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221349512 1068431592 /nfs/dbraw/zinc/43/15/92/1068431592.db2.gz XYGHWGJKUYOWAE-IHRRRGAJSA-N 1 0 438.510 -2.310 20 0 IAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221349520 1068431554 /nfs/dbraw/zinc/43/15/54/1068431554.db2.gz XYGHWGJKUYOWAE-RDBSUJKOSA-N 1 0 438.510 -2.310 20 0 IAADRO C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350190 1068431818 /nfs/dbraw/zinc/43/18/18/1068431818.db2.gz PBJDCOZNCDEQJR-XUXIUFHCSA-N 1 0 441.529 -1.208 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COCN1)C(N)=O ZINC001221351050 1068431683 /nfs/dbraw/zinc/43/16/83/1068431683.db2.gz CRYDENWBNFXYCO-VGWMRTNUSA-N 1 0 440.545 -1.837 20 0 IAADRO CONCCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352503 1068431741 /nfs/dbraw/zinc/43/17/41/1068431741.db2.gz VFTNHGJTSJDGNG-ZOBUZTSGSA-N 1 0 442.561 -1.242 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(F)CNC1)C(N)=O ZINC001221352556 1068431670 /nfs/dbraw/zinc/43/16/70/1068431670.db2.gz WQOXYPRRBCMEKK-KKUMJFAQSA-N 1 0 442.536 -1.471 20 0 IAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)COC1)C(N)=O ZINC001221352560 1068431717 /nfs/dbraw/zinc/43/17/17/1068431717.db2.gz WVGFVWQLUGLERL-KKUMJFAQSA-N 1 0 440.545 -2.055 20 0 IAADRO COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221362995 1068432494 /nfs/dbraw/zinc/43/24/94/1068432494.db2.gz HRTFDMITNPYGOO-UWJYBYFXSA-N 1 0 444.286 -1.248 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CNC(=O)C1(C)C)C(=O)CF ZINC001221367720 1068432294 /nfs/dbraw/zinc/43/22/94/1068432294.db2.gz AZBRCMMXJVAOMC-MEDZGJRSSA-N 1 0 429.493 -1.471 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CNC(=O)C1(C)C)C(=O)CF ZINC001221367721 1068432434 /nfs/dbraw/zinc/43/24/34/1068432434.db2.gz AZBRCMMXJVAOMC-UHXUCMFUSA-N 1 0 429.493 -1.471 20 0 IAADRO COc1ccc(CN2C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2=O)c(OC)c1 ZINC001221369402 1068432449 /nfs/dbraw/zinc/43/24/49/1068432449.db2.gz JGSXUASNMVMFBE-WHOFXGATSA-N 1 0 435.481 -1.372 20 0 IAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cnn(C)c(=O)c1Br ZINC001221401609 1068432347 /nfs/dbraw/zinc/43/23/47/1068432347.db2.gz KTAXGYRJGSSUJV-WPRPVWTQSA-N 1 0 429.275 -1.064 20 0 IAADRO Cn1ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(Br)c1=O ZINC001221402120 1068432319 /nfs/dbraw/zinc/43/23/19/1068432319.db2.gz VCOFRWPXJUHDAF-UHFFFAOYSA-N 1 0 432.235 -3.211 20 0 IAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001222000096 1068433158 /nfs/dbraw/zinc/43/31/58/1068433158.db2.gz VCBIQFGTMIBKOO-LZLYRXPVSA-N 1 0 434.559 -1.000 20 0 IAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001222000097 1068433311 /nfs/dbraw/zinc/43/33/11/1068433311.db2.gz VCBIQFGTMIBKOO-XYJFISCASA-N 1 0 434.559 -1.000 20 0 IAADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)CC2)cn1 ZINC001228587726 1068436332 /nfs/dbraw/zinc/43/63/32/1068436332.db2.gz UEMZKCANAZJPMP-UHFFFAOYSA-N 1 0 441.558 -1.011 20 0 IAADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231768599 1068437218 /nfs/dbraw/zinc/43/72/18/1068437218.db2.gz SZYPKHZXEYBFIV-FQEVSTJZSA-N 1 0 429.481 -1.343 20 0 IAADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231768601 1068437071 /nfs/dbraw/zinc/43/70/71/1068437071.db2.gz SZYPKHZXEYBFIV-HXUWFJFHSA-N 1 0 429.481 -1.343 20 0 IAADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CC[C@H]2S1(=O)=O ZINC001231769762 1068437001 /nfs/dbraw/zinc/43/70/01/1068437001.db2.gz XTDQBTZQYPHTEE-UKRRQHHQSA-N 1 0 427.527 -1.602 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@@H]3COCC[NH2+]3)CC[C@@H]12 ZINC001235492999 1068438039 /nfs/dbraw/zinc/43/80/39/1068438039.db2.gz LCDKXMKGGKWJMT-LMMKCTJWSA-N 1 0 430.571 -1.050 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@H]3COCC[NH2+]3)CC[C@@H]12 ZINC001235493000 1068437958 /nfs/dbraw/zinc/43/79/58/1068437958.db2.gz LCDKXMKGGKWJMT-SCTDSRPQSA-N 1 0 430.571 -1.050 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@H]3CNCCO3)CC[C@@H]12 ZINC001235495739 1068438031 /nfs/dbraw/zinc/43/80/31/1068438031.db2.gz ZBSLECUXNYVPNT-LMMKCTJWSA-N 1 0 430.571 -1.050 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@H]3CNCCO3)CC[C@@H]12 ZINC001235495740 1068437995 /nfs/dbraw/zinc/43/79/95/1068437995.db2.gz ZBSLECUXNYVPNT-SCTDSRPQSA-N 1 0 430.571 -1.050 20 0 IAADRO Cn1cc(CN2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c(=O)n(C)c1=O ZINC001236266877 1068437880 /nfs/dbraw/zinc/43/78/80/1068437880.db2.gz MBSARHDWDVPEHI-HOTGVXAUSA-N 1 0 440.495 -1.200 20 0 IAADRO O=C(CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC001238182797 1068438913 /nfs/dbraw/zinc/43/89/13/1068438913.db2.gz RXFARIBXMMAETH-UHFFFAOYSA-N 1 0 446.551 -1.192 20 0 IAADRO O=C1C[C@H]2[NH2+]CC[C@]2(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC001238323662 1068438748 /nfs/dbraw/zinc/43/87/48/1068438748.db2.gz ABEKBQMYPAIFMY-GDBMZVCRSA-N 1 0 430.508 -1.436 20 0 IAADRO O=C1C[C@@H]2[NH2+]CC[C@]2(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC001238323668 1068438742 /nfs/dbraw/zinc/43/87/42/1068438742.db2.gz ABEKBQMYPAIFMY-GOEBONIOSA-N 1 0 430.508 -1.436 20 0 IAADRO O=C1C[C@@H]2[NH2+]CC[C@@]2(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC001238323671 1068438657 /nfs/dbraw/zinc/43/86/57/1068438657.db2.gz ABEKBQMYPAIFMY-HOCLYGCPSA-N 1 0 430.508 -1.436 20 0 IAADRO O=C1C[C@H]2[NH2+]CC[C@@]2(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC001238323673 1068438937 /nfs/dbraw/zinc/43/89/37/1068438937.db2.gz ABEKBQMYPAIFMY-ZBFHGGJFSA-N 1 0 430.508 -1.436 20 0 IAADRO CCOC(=O)CS(=O)(=O)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001238594113 1068438769 /nfs/dbraw/zinc/43/87/69/1068438769.db2.gz COKNTEOORURHDB-UHFFFAOYSA-N 1 0 430.520 -1.489 20 0 IAADRO COC(=O)CCS(=O)(=O)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001238595100 1068438729 /nfs/dbraw/zinc/43/87/29/1068438729.db2.gz KJWZWDMULUCKLT-UHFFFAOYSA-N 1 0 430.520 -1.489 20 0 IAADRO O=S(=O)(CC1CC[NH2+]CC1)NCCOCCOCCOCCOCCOCCO ZINC001238595381 1068438953 /nfs/dbraw/zinc/43/89/53/1068438953.db2.gz NCWYXFXZHHNGCS-UHFFFAOYSA-N 1 0 442.575 -1.019 20 0 IAADRO O=S(=O)(NCCOCCOCCOCCOCCOCCO)C1CC[NH2+]CC1 ZINC001238595461 1068438693 /nfs/dbraw/zinc/43/86/93/1068438693.db2.gz NNLZNMBFKJSJBH-UHFFFAOYSA-N 1 0 428.548 -1.267 20 0 IAADRO COC(=O)CCCS(=O)(=O)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001238596099 1068438719 /nfs/dbraw/zinc/43/87/19/1068438719.db2.gz QHBNRVFATUCQRP-UHFFFAOYSA-N 1 0 444.547 -1.099 20 0 IAADRO CS(=O)(=O)CS(=O)(=O)NCCOCCOCCOCCOCCOCC[NH3+] ZINC001238596664 1068438884 /nfs/dbraw/zinc/43/88/84/1068438884.db2.gz UQKNACQPFZVJBV-UHFFFAOYSA-N 1 0 436.549 -2.050 20 0 IAADRO [NH3+]CCOCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238613725 1068438793 /nfs/dbraw/zinc/43/87/93/1068438793.db2.gz FNUJMGABPTVHRU-UHFFFAOYSA-N 1 0 437.540 -1.022 20 0 IAADRO NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238837987 1068439629 /nfs/dbraw/zinc/43/96/29/1068439629.db2.gz ZLEIQVSJKNPVLF-HNNXBMFYSA-N 1 0 434.540 -1.031 20 0 IAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)CC[NH3+])C(N)=O ZINC001238876538 1068439574 /nfs/dbraw/zinc/43/95/74/1068439574.db2.gz MPZOGYUZUPYUHB-RYUDHWBXSA-N 1 0 425.577 -1.881 20 0 IAADRO COCCOCCOCCOCCOCCOCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238885048 1068439428 /nfs/dbraw/zinc/43/94/28/1068439428.db2.gz HLZLQFONLFRIAO-KRWDZBQOSA-N 1 0 428.548 -1.003 20 0 IAADRO COCCOCCOCCOCCOCCOCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238885049 1068439620 /nfs/dbraw/zinc/43/96/20/1068439620.db2.gz HLZLQFONLFRIAO-QGZVFWFLSA-N 1 0 428.548 -1.003 20 0 IAADRO COCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238885175 1068439684 /nfs/dbraw/zinc/43/96/84/1068439684.db2.gz KRZUDNYUYCSDGX-UHFFFAOYSA-N 1 0 446.563 -1.390 20 0 IAADRO O=C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@]2(CC[NH2+]C2)CN1 ZINC001239005443 1068439508 /nfs/dbraw/zinc/43/95/08/1068439508.db2.gz PQTDKQZAXPENJP-KRWDZBQOSA-N 1 0 444.535 -1.440 20 0 IAADRO O=C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@]2(CC[NH2+]C2)CN1 ZINC001239005450 1068439448 /nfs/dbraw/zinc/43/94/48/1068439448.db2.gz PQTDKQZAXPENJP-QGZVFWFLSA-N 1 0 444.535 -1.440 20 0 IAADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CC[NH2+]C[C@H]3C2)cc1)N1CCOCC1 ZINC001239018804 1068439597 /nfs/dbraw/zinc/43/95/97/1068439597.db2.gz JJIDIUDNAWWIAH-HNNXBMFYSA-N 1 0 430.552 -1.014 20 0 IAADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CC[NH2+]C[C@@H]3C2)cc1)N1CCOCC1 ZINC001239018806 1068439529 /nfs/dbraw/zinc/43/95/29/1068439529.db2.gz JJIDIUDNAWWIAH-OAHLLOKOSA-N 1 0 430.552 -1.014 20 0 IAADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001239023680 1068439496 /nfs/dbraw/zinc/43/94/96/1068439496.db2.gz STEYUOHSPQMORP-PBHICJAKSA-N 1 0 431.536 -1.090 20 0 IAADRO O=C1NCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C12C[NH2+]C2 ZINC001239032139 1068439540 /nfs/dbraw/zinc/43/95/40/1068439540.db2.gz JSZNXPVWGVKWDO-UHFFFAOYSA-N 1 0 430.508 -1.830 20 0 IAADRO O=S(=O)([C@@H]1CC[NH2+]C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001239075299 1068439514 /nfs/dbraw/zinc/43/95/14/1068439514.db2.gz SBWBJRQPYUGYEP-QLFBSQMISA-N 1 0 443.551 -1.299 20 0 IAADRO O=S(=O)([C@H]1CC[NH2+]C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001239075303 1068439571 /nfs/dbraw/zinc/43/95/71/1068439571.db2.gz SBWBJRQPYUGYEP-SOUVJXGZSA-N 1 0 443.551 -1.299 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(S(=O)(=O)CC[NH3+])CC[C@@H]12 ZINC001239075741 1068439606 /nfs/dbraw/zinc/43/96/06/1068439606.db2.gz MOCVNDOEQIKBDC-ZBFHGGJFSA-N 1 0 438.572 -1.750 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001239077095 1068439644 /nfs/dbraw/zinc/43/96/44/1068439644.db2.gz BQWWYETWNOSGRR-BRWVUGGUSA-N 1 0 449.595 -1.090 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001239077101 1068440259 /nfs/dbraw/zinc/44/02/59/1068440259.db2.gz BQWWYETWNOSGRR-GVDBMIGSSA-N 1 0 449.595 -1.090 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC3)C1=O ZINC001239077707 1068440313 /nfs/dbraw/zinc/44/03/13/1068440313.db2.gz TUVHNHKANKRGMM-PBHICJAKSA-N 1 0 434.584 -1.116 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC3)C1=O ZINC001239077708 1068440177 /nfs/dbraw/zinc/44/01/77/1068440177.db2.gz TUVHNHKANKRGMM-RHSMWYFYSA-N 1 0 434.584 -1.116 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC3)C1=O ZINC001239077709 1068440386 /nfs/dbraw/zinc/44/03/86/1068440386.db2.gz TUVHNHKANKRGMM-WMLDXEAASA-N 1 0 434.584 -1.116 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC3)C1=O ZINC001239077710 1068440449 /nfs/dbraw/zinc/44/04/49/1068440449.db2.gz TUVHNHKANKRGMM-YOEHRIQHSA-N 1 0 434.584 -1.116 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001239078460 1068440119 /nfs/dbraw/zinc/44/01/19/1068440119.db2.gz WHGJLJVBXCPRDE-ARFHVFGLSA-N 1 0 435.568 -1.338 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001239078461 1068440246 /nfs/dbraw/zinc/44/02/46/1068440246.db2.gz WHGJLJVBXCPRDE-BZUAXINKSA-N 1 0 435.568 -1.338 20 0 IAADRO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)[C@H]1CC[NH2+]C1)CCC2 ZINC001239083322 1068440086 /nfs/dbraw/zinc/44/00/86/1068440086.db2.gz SUCPCJYEBIBBTG-AWEZNQCLSA-N 1 0 435.510 -1.196 20 0 IAADRO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)CCC2 ZINC001239083326 1068440201 /nfs/dbraw/zinc/44/02/01/1068440201.db2.gz SUCPCJYEBIBBTG-CQSZACIVSA-N 1 0 435.510 -1.196 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)CC1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001239097603 1068440338 /nfs/dbraw/zinc/44/03/38/1068440338.db2.gz NTQVKWWMPVARJO-HOTGVXAUSA-N 1 0 445.586 -1.087 20 0 IAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)C1CC[NH2+]CC1)C(=O)NCC(N)=O ZINC001239098074 1068440430 /nfs/dbraw/zinc/44/04/30/1068440430.db2.gz WGYIDZSQGHTDJJ-GJZGRUSLSA-N 1 0 431.559 -1.335 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239099441 1068440143 /nfs/dbraw/zinc/44/01/43/1068440143.db2.gz RKZYLHPFBZPLBJ-DOMZBBRYSA-N 1 0 433.508 -1.029 20 0 IAADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(N2CC[NH2+]CC2)C1 ZINC001239119178 1068440219 /nfs/dbraw/zinc/44/02/19/1068440219.db2.gz AHVMXQYZEZHWJV-UHFFFAOYSA-N 1 0 430.552 -1.014 20 0 IAADRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239122046 1068440396 /nfs/dbraw/zinc/44/03/96/1068440396.db2.gz RKZYLHPFBZPLBJ-WFASDCNBSA-N 1 0 433.508 -1.029 20 0 IAADRO CS(=O)(=O)CS(=O)(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001239127407 1068440045 /nfs/dbraw/zinc/44/00/45/1068440045.db2.gz RSLNESQQPMMYTQ-STQMWFEESA-N 1 0 444.526 -1.466 20 0 IAADRO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001239134408 1068440322 /nfs/dbraw/zinc/44/03/22/1068440322.db2.gz LOCFXBVERGJIIY-CABCVRRESA-N 1 0 433.508 -1.172 20 0 IAADRO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001239134409 1068439989 /nfs/dbraw/zinc/43/99/89/1068439989.db2.gz LOCFXBVERGJIIY-GJZGRUSLSA-N 1 0 433.508 -1.172 20 0 IAADRO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC001239134410 1068440067 /nfs/dbraw/zinc/44/00/67/1068440067.db2.gz LOCFXBVERGJIIY-HUUCEWRRSA-N 1 0 433.508 -1.172 20 0 IAADRO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC001239134411 1068441118 /nfs/dbraw/zinc/44/11/18/1068441118.db2.gz LOCFXBVERGJIIY-LSDHHAIUSA-N 1 0 433.508 -1.172 20 0 IAADRO COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NC(=S)NCC[NH3+] ZINC001239341300 1068440846 /nfs/dbraw/zinc/44/08/46/1068440846.db2.gz IVBUPHMDIUZDMY-SDBHATRESA-N 1 0 427.487 -1.646 20 0 IAADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NCC[NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001239378906 1068441013 /nfs/dbraw/zinc/44/10/13/1068441013.db2.gz WIOGYHRNPQRDPG-OXGONZEZSA-N 1 0 449.482 -1.508 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=S)NCC[NH3+])CC[C@@H]12 ZINC001239436145 1068441055 /nfs/dbraw/zinc/44/10/55/1068441055.db2.gz YTYVTNQOTJMXMW-PBHICJAKSA-N 1 0 433.600 -1.206 20 0 IAADRO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001245973790 1068441991 /nfs/dbraw/zinc/44/19/91/1068441991.db2.gz QYSZLFHAMTVFBE-KRWDZBQOSA-N 1 0 432.591 -1.083 20 0 IAADRO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001245973798 1068441839 /nfs/dbraw/zinc/44/18/39/1068441839.db2.gz QYSZLFHAMTVFBE-QGZVFWFLSA-N 1 0 432.591 -1.083 20 0 IAADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@@]2(O)CC[NH2+]C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246001230 1068442077 /nfs/dbraw/zinc/44/20/77/1068442077.db2.gz ODCMXAGHHAZATM-MGYGNFHQSA-N 1 0 446.453 -1.617 20 0 IAADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@]2(O)CC[NH2+]C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246001237 1068442053 /nfs/dbraw/zinc/44/20/53/1068442053.db2.gz ODCMXAGHHAZATM-UPGMHYFXSA-N 1 0 446.453 -1.617 20 0 IAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246011487 1068442090 /nfs/dbraw/zinc/44/20/90/1068442090.db2.gz IHJNZEUPVKELRN-HRCADAONSA-N 1 0 427.452 -1.622 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038880 1068441697 /nfs/dbraw/zinc/44/16/97/1068441697.db2.gz TWPVYKTZKLPEPE-NEWSRXKRSA-N 1 0 430.571 -1.314 20 0 IAADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038881 1068442012 /nfs/dbraw/zinc/44/20/12/1068442012.db2.gz TWPVYKTZKLPEPE-QRQLOZEOSA-N 1 0 430.571 -1.314 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041244 1068441806 /nfs/dbraw/zinc/44/18/06/1068441806.db2.gz SSNWCHFDKBQPDP-BRSBDYLESA-N 1 0 445.582 -1.554 20 0 IAADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041245 1068442850 /nfs/dbraw/zinc/44/28/50/1068442850.db2.gz SSNWCHFDKBQPDP-BSDSXHPESA-N 1 0 445.582 -1.554 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041246 1068442784 /nfs/dbraw/zinc/44/27/84/1068442784.db2.gz SSNWCHFDKBQPDP-WNRNVDISSA-N 1 0 445.582 -1.554 20 0 IAADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041247 1068442670 /nfs/dbraw/zinc/44/26/70/1068442670.db2.gz SSNWCHFDKBQPDP-XMTFNYHQSA-N 1 0 445.582 -1.554 20 0 IAADRO O=C([C@@H]1C[C@H](N2CCN(C[C@H](O)CN3CCOCC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049798 1068442728 /nfs/dbraw/zinc/44/27/28/1068442728.db2.gz BXCJEMMHUIBXQL-BZSNNMDCSA-N 1 0 431.528 -1.105 20 0 IAADRO O=C([C@@H]1C[C@H](N2CCN(C[C@@H](O)CN3CCOCC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049799 1068442871 /nfs/dbraw/zinc/44/28/71/1068442871.db2.gz BXCJEMMHUIBXQL-KSZLIROESA-N 1 0 431.528 -1.105 20 0 IAADRO COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(CCOCCOCCOCC[NH3+])nn1 ZINC001246068981 1068442630 /nfs/dbraw/zinc/44/26/30/1068442630.db2.gz SHZQZMBHSYUWPE-GUNSETOZSA-N 1 0 435.547 -1.314 20 0 IAADRO COC(=O)[C@H](CC[S@](C)=O)NCc1cn(CCOCCOCCOCC[NH3+])nn1 ZINC001246068995 1068442705 /nfs/dbraw/zinc/44/27/05/1068442705.db2.gz SHZQZMBHSYUWPE-OFJJUDJNSA-N 1 0 435.547 -1.314 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CNC(=O)C1)c(N)nc2=O ZINC001246209035 1068443580 /nfs/dbraw/zinc/44/35/80/1068443580.db2.gz LBJIHCMRZITPIG-GMXVVIOVSA-N 1 0 437.457 -1.902 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CNC(=O)C1)c(N)nc2=O ZINC001246209038 1068443572 /nfs/dbraw/zinc/44/35/72/1068443572.db2.gz LBJIHCMRZITPIG-GVXVVHGQSA-N 1 0 437.457 -1.902 20 0 IAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CNC(=O)C1)c(N)nc2=O ZINC001246209039 1068443356 /nfs/dbraw/zinc/44/33/56/1068443356.db2.gz LBJIHCMRZITPIG-MDZLAQPJSA-N 1 0 437.457 -1.902 20 0 IAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CNC(=O)C1)c(N)nc2=O ZINC001246209040 1068443239 /nfs/dbraw/zinc/44/32/39/1068443239.db2.gz LBJIHCMRZITPIG-NTZNESFSSA-N 1 0 437.457 -1.902 20 0 IAADRO O=C([C@@H]1C[C@@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246315551 1068443511 /nfs/dbraw/zinc/44/35/11/1068443511.db2.gz NECXYFAAWLIXQR-OCBMSJAUSA-N 1 0 427.483 -2.579 20 0 IAADRO O=C([C@@H]1C[C@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246315552 1068443565 /nfs/dbraw/zinc/44/35/65/1068443565.db2.gz NECXYFAAWLIXQR-USNUUERLSA-N 1 0 427.483 -2.579 20 0 IAADRO N[C@H]1[C@H](n2ccc(N[C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246317609 1068443402 /nfs/dbraw/zinc/44/34/02/1068443402.db2.gz WMDFRVFFDFWQCG-OCBMSJAUSA-N 1 0 426.499 -2.669 20 0 IAADRO N[C@H]1[C@H](n2ccc(N[C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246317610 1068443532 /nfs/dbraw/zinc/44/35/32/1068443532.db2.gz WMDFRVFFDFWQCG-USNUUERLSA-N 1 0 426.499 -2.669 20 0 IAADRO Cc1cn([C@H]2C[C@H](N[C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001246375361 1068444175 /nfs/dbraw/zinc/44/41/75/1068444175.db2.gz PUILZXZWHAYKIH-BTFPBAQTSA-N 1 0 425.511 -1.241 20 0 IAADRO Cc1cn([C@H]2C[C@H](N[C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001246375362 1068444203 /nfs/dbraw/zinc/44/42/03/1068444203.db2.gz PUILZXZWHAYKIH-GZBLMMOJSA-N 1 0 425.511 -1.241 20 0 IAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246482035 1068445189 /nfs/dbraw/zinc/44/51/89/1068445189.db2.gz KLPJOYNQMQQPPN-PEDHHIEDSA-N 1 0 429.543 -1.590 20 0 IAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246482038 1068445211 /nfs/dbraw/zinc/44/52/11/1068445211.db2.gz KLPJOYNQMQQPPN-YHQUGGNUSA-N 1 0 429.543 -1.590 20 0 IAADRO COC(=O)[C@H](CCCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1)NC(=O)CNC(C)=O ZINC001246521467 1068445198 /nfs/dbraw/zinc/44/51/98/1068445198.db2.gz WHSWVPHMIDXKLW-JYJNAYRXSA-N 1 0 443.570 -1.196 20 0 IAADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1)NC(=O)CNC(C)=O ZINC001246521473 1068445166 /nfs/dbraw/zinc/44/51/66/1068445166.db2.gz WHSWVPHMIDXKLW-PMPSAXMXSA-N 1 0 443.570 -1.196 20 0 IAADRO COC(=O)[C@@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CN1 ZINC001246522870 1068445004 /nfs/dbraw/zinc/44/50/04/1068445004.db2.gz KPUSVMOMUQZCAB-DKIMLUQUSA-N 1 0 444.492 -1.253 20 0 IAADRO COC(=O)[C@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CN1 ZINC001246522879 1068445074 /nfs/dbraw/zinc/44/50/74/1068445074.db2.gz KPUSVMOMUQZCAB-LAVFITLUSA-N 1 0 444.492 -1.253 20 0 IAADRO COC(=O)[C@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CN1 ZINC001246522883 1068445030 /nfs/dbraw/zinc/44/50/30/1068445030.db2.gz KPUSVMOMUQZCAB-LEUOFYLZSA-N 1 0 444.492 -1.253 20 0 IAADRO COC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CN1 ZINC001246522887 1068444884 /nfs/dbraw/zinc/44/48/84/1068444884.db2.gz KPUSVMOMUQZCAB-UBDQQSCGSA-N 1 0 444.492 -1.253 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246524058 1068445023 /nfs/dbraw/zinc/44/50/23/1068445023.db2.gz OQQAJDATLIPHDC-QAETUUGQSA-N 1 0 435.550 -1.587 20 0 IAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246524069 1068444835 /nfs/dbraw/zinc/44/48/35/1068444835.db2.gz OQQAJDATLIPHDC-QZWWFDLISA-N 1 0 435.550 -1.587 20 0 IAADRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CN1 ZINC001246725952 1068445145 /nfs/dbraw/zinc/44/51/45/1068445145.db2.gz NWIDUMQYJQBWTD-BPKGMFCQSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CN1 ZINC001246725953 1068445721 /nfs/dbraw/zinc/44/57/21/1068445721.db2.gz NWIDUMQYJQBWTD-JZAWBGDQSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CN1 ZINC001246725954 1068445697 /nfs/dbraw/zinc/44/56/97/1068445697.db2.gz NWIDUMQYJQBWTD-OVYGPGRDSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CN1 ZINC001246725955 1068446125 /nfs/dbraw/zinc/44/61/25/1068446125.db2.gz NWIDUMQYJQBWTD-ZOFXXKQRSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CCN1 ZINC001246728401 1068445962 /nfs/dbraw/zinc/44/59/62/1068445962.db2.gz YBJUSOOJJGQCRF-BPKGMFCQSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CCN1 ZINC001246728402 1068445828 /nfs/dbraw/zinc/44/58/28/1068445828.db2.gz YBJUSOOJJGQCRF-JZAWBGDQSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CCN1 ZINC001246728403 1068446087 /nfs/dbraw/zinc/44/60/87/1068446087.db2.gz YBJUSOOJJGQCRF-OVYGPGRDSA-N 1 0 429.539 -1.126 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CCN1 ZINC001246728404 1068446100 /nfs/dbraw/zinc/44/61/00/1068446100.db2.gz YBJUSOOJJGQCRF-ZOFXXKQRSA-N 1 0 429.539 -1.126 20 0 IAADRO C=CS(=O)(=O)CC(CS(=O)(=O)C=C)N1C[C@@]23C[NH2+]C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012447 1068446040 /nfs/dbraw/zinc/44/60/40/1068446040.db2.gz TXBLBDKLZGBAHA-RDBSUJKOSA-N 1 0 426.538 -1.384 20 0 IAADRO O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@@H]1COCCOCCOCCOCCO1)O3 ZINC001247012532 1068446540 /nfs/dbraw/zinc/44/65/40/1068446540.db2.gz UGGVDJRZZDEHFR-BDXSIMOUSA-N 1 0 436.527 -1.404 20 0 IAADRO O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C[C@H]1COCCOCCOCCOCCO1)O3 ZINC001247012541 1068446672 /nfs/dbraw/zinc/44/66/72/1068446672.db2.gz UGGVDJRZZDEHFR-OWSLCNJRSA-N 1 0 436.527 -1.404 20 0 IAADRO COc1cc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)cc(OC)c1OC ZINC001248546500 1068446842 /nfs/dbraw/zinc/44/68/42/1068446842.db2.gz CTICEWSMDWGDJM-UHFFFAOYSA-N 1 0 436.425 -1.430 20 0 IAADRO CON(C)C(=O)c1ccc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)cc1 ZINC001248546763 1068446776 /nfs/dbraw/zinc/44/67/76/1068446776.db2.gz GMTBZKBMZBFSKI-UHFFFAOYSA-N 1 0 433.425 -1.823 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2cncc(Br)c2)no1 ZINC001248546856 1068446628 /nfs/dbraw/zinc/44/66/28/1068446628.db2.gz KUSIWJWHHPXMJM-UHFFFAOYSA-N 1 0 426.231 -1.299 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001248547167 1068446606 /nfs/dbraw/zinc/44/66/06/1068446606.db2.gz LSWLYCUIMMFZKN-UHFFFAOYSA-N 1 0 431.453 -1.620 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC001248547320 1068446813 /nfs/dbraw/zinc/44/68/13/1068446813.db2.gz OWMRQLRKSBRQFG-UHFFFAOYSA-N 1 0 445.480 -1.624 20 0 IAADRO CON(C)C(=O)c1cccc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)c1 ZINC001248547360 1068446444 /nfs/dbraw/zinc/44/64/44/1068446444.db2.gz PORXTLUAAGSWHQ-UHFFFAOYSA-N 1 0 433.425 -1.823 20 0 IAADRO Cc1cc(C)n(-c2ccc(-c3noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n3)cn2)n1 ZINC001248547547 1068446489 /nfs/dbraw/zinc/44/64/89/1068446489.db2.gz PUZGUOSIKGKXER-UHFFFAOYSA-N 1 0 441.452 -1.259 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccncc2Br)no1 ZINC001248547648 1068446754 /nfs/dbraw/zinc/44/67/54/1068446754.db2.gz RVUNOCYEZKTRJQ-UHFFFAOYSA-N 1 0 426.231 -1.299 20 0 IAADRO CC(=O)N1CCCc2cc(-c3noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n3)ccc21 ZINC001248547755 1068447655 /nfs/dbraw/zinc/44/76/55/1068447655.db2.gz UHBULMFHMSYYCA-UHFFFAOYSA-N 1 0 443.464 -1.157 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ncccc2Br)no1 ZINC001248547773 1068447701 /nfs/dbraw/zinc/44/77/01/1068447701.db2.gz UJPHARKJVSZCHA-UHFFFAOYSA-N 1 0 426.231 -1.299 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccccc2N2CCOCC2)no1 ZINC001248547827 1068447627 /nfs/dbraw/zinc/44/76/27/1068447627.db2.gz USRIGQSWJYFSTR-UHFFFAOYSA-N 1 0 431.453 -1.620 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001248548035 1068447761 /nfs/dbraw/zinc/44/77/61/1068447761.db2.gz WCIZOGUYRYIRLC-UHFFFAOYSA-N 1 0 436.400 -1.539 20 0 IAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001248548189 1068447678 /nfs/dbraw/zinc/44/76/78/1068447678.db2.gz YWEFHWZUAYXJCG-UHFFFAOYSA-N 1 0 431.453 -1.620 20 0 IAADRO COc1cc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)ccc1OC1COC1 ZINC001248548214 1068447639 /nfs/dbraw/zinc/44/76/39/1068447639.db2.gz ZBPJJVSDFKMNRU-UHFFFAOYSA-N 1 0 448.436 -1.670 20 0 IAADRO C[NH+](C)CCNC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001249830359 1068447720 /nfs/dbraw/zinc/44/77/20/1068447720.db2.gz UDWRHILBMHDZOK-QYVSTXNMSA-N 1 0 431.906 -1.061 20 0 IAADRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCC[NH+](C)C)[C@H](O)[C@@H]1O ZINC001249830440 1068447609 /nfs/dbraw/zinc/44/76/09/1068447609.db2.gz VOYGILRIDWCRLY-MEQWQQMJSA-N 1 0 438.514 -1.570 20 0 IAADRO CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001250955241 1068448346 /nfs/dbraw/zinc/44/83/46/1068448346.db2.gz AEZFTGFESOYPMJ-AWEZNQCLSA-N 1 0 441.529 -1.070 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)CN2CCOCC2)CC3)C1=O ZINC001251013541 1068448162 /nfs/dbraw/zinc/44/81/62/1068448162.db2.gz IWOSXMHPBKFYIQ-FXAWDEMLSA-N 1 0 444.598 -1.115 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)CN2CCOCC2)CC3)C1=O ZINC001251013545 1068448385 /nfs/dbraw/zinc/44/83/85/1068448385.db2.gz IWOSXMHPBKFYIQ-PXNSSMCTSA-N 1 0 444.598 -1.115 20 0 IAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@H](O)CN2CCOCC2)CC3)C1=O ZINC001251013546 1068449401 /nfs/dbraw/zinc/44/94/01/1068449401.db2.gz IWOSXMHPBKFYIQ-XLIONFOSSA-N 1 0 444.598 -1.115 20 0 IAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@H](O)CN2CCOCC2)CC3)C1=O ZINC001251013547 1068449252 /nfs/dbraw/zinc/44/92/52/1068449252.db2.gz IWOSXMHPBKFYIQ-YLJYHZDGSA-N 1 0 444.598 -1.115 20 0 IAADRO COCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251047145 1068449341 /nfs/dbraw/zinc/44/93/41/1068449341.db2.gz RBURHPQWHZTXMM-FQEVSTJZSA-N 1 0 438.562 -1.002 20 0 IAADRO COCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251047146 1068449396 /nfs/dbraw/zinc/44/93/96/1068449396.db2.gz RBURHPQWHZTXMM-HXUWFJFHSA-N 1 0 438.562 -1.002 20 0 IAADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001251073446 1068450154 /nfs/dbraw/zinc/45/01/54/1068450154.db2.gz LSZBUPNMOOWRMP-AGQMGONXSA-N 1 0 427.454 -1.358 20 0 IAADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001251362920 1068450341 /nfs/dbraw/zinc/45/03/41/1068450341.db2.gz PGKXDILNRBWQRH-VBKZILBWSA-N 1 0 441.529 -1.070 20 0 IAADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001251362921 1068450253 /nfs/dbraw/zinc/45/02/53/1068450253.db2.gz PGKXDILNRBWQRH-XOBRGWDASA-N 1 0 441.529 -1.070 20 0 IAADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C1 ZINC001251462638 1068449986 /nfs/dbraw/zinc/44/99/86/1068449986.db2.gz DWBNICDJIRFUIQ-CUCGDYHCSA-N 1 0 442.469 -1.470 20 0 IAADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C1 ZINC001251462639 1068450332 /nfs/dbraw/zinc/45/03/32/1068450332.db2.gz DWBNICDJIRFUIQ-ODIWYZQISA-N 1 0 442.469 -1.470 20 0 IAADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001251480851 1068450956 /nfs/dbraw/zinc/45/09/56/1068450956.db2.gz WWLGTPPQDGQEKH-DJJJIMSYSA-N 1 0 427.502 -1.460 20 0 IAADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001251480855 1068450809 /nfs/dbraw/zinc/45/08/09/1068450809.db2.gz WWLGTPPQDGQEKH-ORAYPTAESA-N 1 0 427.502 -1.460 20 0 IAADRO C[NH+]1CCC(CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)(N2CCOCC2)CC1 ZINC001251869242 1068451649 /nfs/dbraw/zinc/45/16/49/1068451649.db2.gz BVKXUVXDJMLEIX-UHFFFAOYSA-N 1 0 429.547 -1.055 20 0 IAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C[C@H](O)CO)cc1 ZINC001252073919 1068452508 /nfs/dbraw/zinc/45/25/08/1068452508.db2.gz UZDGZNQZAWZDSE-QBBQCFRVSA-N 1 0 435.433 -1.316 20 0 IAADRO CC[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001252383174 1068453174 /nfs/dbraw/zinc/45/31/74/1068453174.db2.gz LGUNRGJOTDUPCS-INIZCTEOSA-N 1 0 436.600 -1.325 20 0 IAADRO CC[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001252383175 1068453244 /nfs/dbraw/zinc/45/32/44/1068453244.db2.gz LGUNRGJOTDUPCS-MRXNPFEDSA-N 1 0 436.600 -1.325 20 0 IAADRO COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252413668 1068453233 /nfs/dbraw/zinc/45/32/33/1068453233.db2.gz GOUVYXHISVQPRN-DAYGRLMNSA-N 1 0 433.527 -1.505 20 0 IAADRO COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252413672 1068453254 /nfs/dbraw/zinc/45/32/54/1068453254.db2.gz GOUVYXHISVQPRN-RKVPGOIHSA-N 1 0 433.527 -1.505 20 0 IAADRO COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)C(=O)OC ZINC001252447987 1068453720 /nfs/dbraw/zinc/45/37/20/1068453720.db2.gz FQDWDCBTWOLXAZ-GOSISDBHSA-N 1 0 441.518 -1.144 20 0 IAADRO COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)C(=O)OC ZINC001252447989 1068453841 /nfs/dbraw/zinc/45/38/41/1068453841.db2.gz FQDWDCBTWOLXAZ-SFHVURJKSA-N 1 0 441.518 -1.144 20 0 IAADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001252949370 1068454515 /nfs/dbraw/zinc/45/45/15/1068454515.db2.gz KVPQLIREXANZLN-IOESTIDPSA-N 1 0 432.477 -1.205 20 0 IAADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001252949371 1068454846 /nfs/dbraw/zinc/45/48/46/1068454846.db2.gz KVPQLIREXANZLN-POVPESKVSA-N 1 0 432.477 -1.205 20 0 IAADRO COCCc1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001253076280 1068454636 /nfs/dbraw/zinc/45/46/36/1068454636.db2.gz DPEFTTAEPTXJOG-AEFFLSMTSA-N 1 0 436.509 -1.203 20 0 IAADRO COCCc1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001253076288 1068454920 /nfs/dbraw/zinc/45/49/20/1068454920.db2.gz DPEFTTAEPTXJOG-WMZOPIPTSA-N 1 0 436.509 -1.203 20 0 IAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917200 1068456582 /nfs/dbraw/zinc/45/65/82/1068456582.db2.gz ZWABCASIEGCHCR-CXAGYDPISA-N 1 0 425.396 -2.186 20 0 IAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917201 1068456489 /nfs/dbraw/zinc/45/64/89/1068456489.db2.gz ZWABCASIEGCHCR-DYVFJYSZSA-N 1 0 425.396 -2.186 20 0 IAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917202 1068456398 /nfs/dbraw/zinc/45/63/98/1068456398.db2.gz ZWABCASIEGCHCR-GUYCJALGSA-N 1 0 425.396 -2.186 20 0 IAADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917203 1068456499 /nfs/dbraw/zinc/45/64/99/1068456499.db2.gz ZWABCASIEGCHCR-SUMWQHHRSA-N 1 0 425.396 -2.186 20 0 IAADRO CCC[NH+](CCC)Cc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1 ZINC001254106934 1068457984 /nfs/dbraw/zinc/45/79/84/1068457984.db2.gz JFWZANPDWVJNEO-FVVUREQNSA-N 1 0 429.518 -1.140 20 0 IAADRO COC(=O)C(Cc1cn(CCOCCOCCOCCOCC[NH3+])nn1)C(=O)OC ZINC001254152771 1068460285 /nfs/dbraw/zinc/46/02/85/1068460285.db2.gz JFKAJMQCKSXBQE-UHFFFAOYSA-N 1 0 432.474 -1.192 20 0 IAADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC2)cc1 ZINC001254176970 1068460017 /nfs/dbraw/zinc/46/00/17/1068460017.db2.gz HTQWXYYQHRICFN-UHFFFAOYSA-N 1 0 425.511 -1.545 20 0 IAADRO CCOC(=O)CN1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001254398165 1068460268 /nfs/dbraw/zinc/46/02/68/1068460268.db2.gz XLGVRPDQDIADGD-BFHYXJOUSA-N 1 0 435.485 -1.018 20 0 IAADRO CCOC(=O)CN1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001254402601 1068461113 /nfs/dbraw/zinc/46/11/13/1068461113.db2.gz VOILBBRAACSACE-ROUUACIJSA-N 1 0 436.509 -1.117 20 0 IAADRO CCOC(=O)N1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001256232174 1068464556 /nfs/dbraw/zinc/46/45/56/1068464556.db2.gz JVFRXAFWJMNJTH-QQHRNGFRSA-N 1 0 437.457 -1.454 20 0 IAADRO COC(=O)[C@H]1C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256267420 1068464504 /nfs/dbraw/zinc/46/45/04/1068464504.db2.gz UJKYUPKVYQTALF-COWLWRSTSA-N 1 0 434.486 -1.029 20 0 IAADRO COC(=O)[C@H]1C[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256267421 1068464577 /nfs/dbraw/zinc/46/45/77/1068464577.db2.gz UJKYUPKVYQTALF-XCCXMSFNSA-N 1 0 434.486 -1.029 20 0 IAADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256336339 1068464398 /nfs/dbraw/zinc/46/43/98/1068464398.db2.gz YMMRPLDIJZBLCC-CSHUHZATSA-N 1 0 436.509 -1.119 20 0 IAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001256336340 1068465348 /nfs/dbraw/zinc/46/53/48/1068465348.db2.gz YMMRPLDIJZBLCC-GNSPCKGOSA-N 1 0 436.509 -1.119 20 0 IAADRO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256385298 1068465395 /nfs/dbraw/zinc/46/53/95/1068465395.db2.gz QZSYIXBHZVARGZ-LRDDRELGSA-N 1 0 440.522 -1.424 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001256388284 1068465454 /nfs/dbraw/zinc/46/54/54/1068465454.db2.gz UJCMGCZIDHOGEZ-AWEZNQCLSA-N 1 0 435.572 -1.015 20 0 IAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001256388285 1068465294 /nfs/dbraw/zinc/46/52/94/1068465294.db2.gz UJCMGCZIDHOGEZ-CQSZACIVSA-N 1 0 435.572 -1.015 20 0 IAADRO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)OC(C)(C)C ZINC001256507792 1068465443 /nfs/dbraw/zinc/46/54/43/1068465443.db2.gz WHPLSVOGANJXRX-NEPJUHHUSA-N 1 0 429.474 -1.765 20 0 IAADRO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)OC(C)(C)C ZINC001256507793 1068465326 /nfs/dbraw/zinc/46/53/26/1068465326.db2.gz WHPLSVOGANJXRX-RYUDHWBXSA-N 1 0 429.474 -1.765 20 0 IAADRO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCC([NH+]3CCOCC3)CC2)[C@@H](O)[C@@H]1O ZINC001256685337 1068465968 /nfs/dbraw/zinc/46/59/68/1068465968.db2.gz DJMRCLVOQMTRFO-ALEZWLBASA-N 1 0 426.488 -2.154 20 0 IAADRO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCC([NH+]3CCOCC3)CC2)[C@@H](O)[C@@H]1O ZINC001256685349 1068466080 /nfs/dbraw/zinc/46/60/80/1068466080.db2.gz DJMRCLVOQMTRFO-YCBQYYIRSA-N 1 0 426.488 -2.154 20 0 IAADRO CS(=O)(=O)N1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001257230532 1068466141 /nfs/dbraw/zinc/46/61/41/1068466141.db2.gz URRWGCRSTFLWBX-QJPTWQEYSA-N 1 0 427.487 -1.621 20 0 IAADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1)C(N)=O ZINC001257233099 1068466097 /nfs/dbraw/zinc/46/60/97/1068466097.db2.gz JUQFDAVBHIXXBT-DQYPLSBCSA-N 1 0 442.538 -1.332 20 0 IAADRO CS(=O)(=O)N1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001257233674 1068466271 /nfs/dbraw/zinc/46/62/71/1068466271.db2.gz RMVHBADZPYWOJJ-HOTGVXAUSA-N 1 0 428.511 -1.721 20 0 IAADRO CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCN1C(=O)OC(C)(C)C ZINC001257608947 1068467071 /nfs/dbraw/zinc/46/70/71/1068467071.db2.gz XYKIIHVXDSAWFN-MNCOHNSWSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCN1C(=O)OC(C)(C)C ZINC001257608949 1068467044 /nfs/dbraw/zinc/46/70/44/1068467044.db2.gz XYKIIHVXDSAWFN-QHLKRXENSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCN1C(=O)OC(C)(C)C ZINC001257608953 1068467147 /nfs/dbraw/zinc/46/71/47/1068467147.db2.gz XYKIIHVXDSAWFN-ULRVOZHWSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCN1C(=O)OC(C)(C)C ZINC001257608956 1068467214 /nfs/dbraw/zinc/46/72/14/1068467214.db2.gz XYKIIHVXDSAWFN-USYRYXCBSA-N 1 0 434.486 -1.293 20 0 IAADRO CCOC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)OC(C)(C)C ZINC001257614704 1068467317 /nfs/dbraw/zinc/46/73/17/1068467317.db2.gz XXMYHBZVUWFHFR-OLZOCXBDSA-N 1 0 443.501 -1.375 20 0 IAADRO CCOC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CCN1C(=O)OC(C)(C)C ZINC001257614713 1068467181 /nfs/dbraw/zinc/46/71/81/1068467181.db2.gz XXMYHBZVUWFHFR-STQMWFEESA-N 1 0 443.501 -1.375 20 0 IAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@H]1C(=O)OC ZINC001257729983 1068467015 /nfs/dbraw/zinc/46/70/15/1068467015.db2.gz NMKVLGGMHBEECD-IXJRGSLCSA-N 1 0 441.437 -1.711 20 0 IAADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@H]1C(=O)OC ZINC001257729985 1068467201 /nfs/dbraw/zinc/46/72/01/1068467201.db2.gz NMKVLGGMHBEECD-QNHRWPQASA-N 1 0 441.437 -1.711 20 0 IAADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OC ZINC001257733364 1068467345 /nfs/dbraw/zinc/46/73/45/1068467345.db2.gz XZXLRIBNDSHTLO-DGAVXFQQSA-N 1 0 426.470 -1.701 20 0 IAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OC ZINC001257733365 1068467089 /nfs/dbraw/zinc/46/70/89/1068467089.db2.gz XZXLRIBNDSHTLO-SYQHCUMBSA-N 1 0 426.470 -1.701 20 0 IAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001257920045 1068467008 /nfs/dbraw/zinc/46/70/08/1068467008.db2.gz JLJDFNOELLRWRB-CYBMUJFWSA-N 1 0 432.499 -1.280 20 0 IAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001257920048 1068466979 /nfs/dbraw/zinc/46/69/79/1068466979.db2.gz JLJDFNOELLRWRB-ZDUSSCGKSA-N 1 0 432.499 -1.280 20 0 IAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001257927212 1068468079 /nfs/dbraw/zinc/46/80/79/1068468079.db2.gz PWHQXYZCTFZFAC-OLZOCXBDSA-N 1 0 434.515 -2.075 20 0 IAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001257927225 1068467938 /nfs/dbraw/zinc/46/79/38/1068467938.db2.gz PWHQXYZCTFZFAC-STQMWFEESA-N 1 0 434.515 -2.075 20 0 IAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001278824951 1068462006 /nfs/dbraw/zinc/46/20/06/1068462006.db2.gz CDWRWWIKFUXZDE-UHFFFAOYSA-N 1 0 439.538 -1.101 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288160721 1068482685 /nfs/dbraw/zinc/48/26/85/1068482685.db2.gz RXDRTBPAAHCGRO-FQEVSTJZSA-N 1 0 436.561 -1.307 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288160722 1068482716 /nfs/dbraw/zinc/48/27/16/1068482716.db2.gz RXDRTBPAAHCGRO-HXUWFJFHSA-N 1 0 436.561 -1.307 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288167205 1068482738 /nfs/dbraw/zinc/48/27/38/1068482738.db2.gz VTAHAHHIAOLZPY-KBXCAEBGSA-N 1 0 443.574 -1.047 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288167206 1068482667 /nfs/dbraw/zinc/48/26/67/1068482667.db2.gz VTAHAHHIAOLZPY-KSSFIOAISA-N 1 0 443.574 -1.047 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001288169125 1068483442 /nfs/dbraw/zinc/48/34/42/1068483442.db2.gz WPWIVAILXVPJNJ-AWEZNQCLSA-N 1 0 436.517 -1.859 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001288169126 1068483463 /nfs/dbraw/zinc/48/34/63/1068483463.db2.gz WPWIVAILXVPJNJ-CQSZACIVSA-N 1 0 436.517 -1.859 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288864608 1068484715 /nfs/dbraw/zinc/48/47/15/1068484715.db2.gz YEFQJPWVYHKZEC-ACJLOTCBSA-N 1 0 441.558 -1.234 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288864609 1068484792 /nfs/dbraw/zinc/48/47/92/1068484792.db2.gz YEFQJPWVYHKZEC-FZKQIMNGSA-N 1 0 441.558 -1.234 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288864610 1068484773 /nfs/dbraw/zinc/48/47/73/1068484773.db2.gz YEFQJPWVYHKZEC-SCLBCKFNSA-N 1 0 441.558 -1.234 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288864611 1068484735 /nfs/dbraw/zinc/48/47/35/1068484735.db2.gz YEFQJPWVYHKZEC-UGSOOPFHSA-N 1 0 441.558 -1.234 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288869427 1068484807 /nfs/dbraw/zinc/48/48/07/1068484807.db2.gz HRSWCZMHIKIVDA-DAYGRLMNSA-N 1 0 443.574 -1.524 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288869437 1068484905 /nfs/dbraw/zinc/48/49/05/1068484905.db2.gz HRSWCZMHIKIVDA-HDMKZQKVSA-N 1 0 443.574 -1.524 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288869440 1068484862 /nfs/dbraw/zinc/48/48/62/1068484862.db2.gz HRSWCZMHIKIVDA-MPGHIAIKSA-N 1 0 443.574 -1.524 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288869442 1068484665 /nfs/dbraw/zinc/48/46/65/1068484665.db2.gz HRSWCZMHIKIVDA-RLFYNMQTSA-N 1 0 443.574 -1.524 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001288871839 1068485509 /nfs/dbraw/zinc/48/55/09/1068485509.db2.gz VXMXUCACYUIIRR-CYBMUJFWSA-N 1 0 429.547 -1.065 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001288871841 1068485539 /nfs/dbraw/zinc/48/55/39/1068485539.db2.gz VXMXUCACYUIIRR-ZDUSSCGKSA-N 1 0 429.547 -1.065 20 0 IAADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001288873356 1068486167 /nfs/dbraw/zinc/48/61/67/1068486167.db2.gz ZPEHIONPUPDNQO-CHWSQXEVSA-N 1 0 437.592 -1.080 20 0 IAADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001288873357 1068486194 /nfs/dbraw/zinc/48/61/94/1068486194.db2.gz ZPEHIONPUPDNQO-OLZOCXBDSA-N 1 0 437.592 -1.080 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001288873358 1068486186 /nfs/dbraw/zinc/48/61/86/1068486186.db2.gz ZPEHIONPUPDNQO-QWHCGFSZSA-N 1 0 437.592 -1.080 20 0 IAADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001288873359 1068486226 /nfs/dbraw/zinc/48/62/26/1068486226.db2.gz ZPEHIONPUPDNQO-STQMWFEESA-N 1 0 437.592 -1.080 20 0 IAADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001290853154 1068486845 /nfs/dbraw/zinc/48/68/45/1068486845.db2.gz YTBGDUUZSOOJJT-GOSISDBHSA-N 1 0 426.543 -1.119 20 0 IAADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001290853155 1068487662 /nfs/dbraw/zinc/48/76/62/1068487662.db2.gz YTBGDUUZSOOJJT-SFHVURJKSA-N 1 0 426.543 -1.119 20 0 IAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290878160 1068487703 /nfs/dbraw/zinc/48/77/03/1068487703.db2.gz CXWVRQDSFQQRSL-CVEARBPZSA-N 1 0 432.529 -1.324 20 0 IAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290878161 1068487655 /nfs/dbraw/zinc/48/76/55/1068487655.db2.gz CXWVRQDSFQQRSL-HOTGVXAUSA-N 1 0 432.529 -1.324 20 0 IAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290878162 1068487607 /nfs/dbraw/zinc/48/76/07/1068487607.db2.gz CXWVRQDSFQQRSL-HZPDHXFCSA-N 1 0 432.529 -1.324 20 0 IAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290878164 1068487672 /nfs/dbraw/zinc/48/76/72/1068487672.db2.gz CXWVRQDSFQQRSL-JKSUJKDBSA-N 1 0 432.529 -1.324 20 0 IAADRO O=C(CN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001293906897 1068490603 /nfs/dbraw/zinc/49/06/03/1068490603.db2.gz WFLJKSWYBOPQGB-INIZCTEOSA-N 1 0 428.555 -1.455 20 0 IAADRO O=C(CN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001293906898 1068490457 /nfs/dbraw/zinc/49/04/57/1068490457.db2.gz WFLJKSWYBOPQGB-MRXNPFEDSA-N 1 0 428.555 -1.455 20 0 IAADRO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CCN2C1=O ZINC001295888044 1068491163 /nfs/dbraw/zinc/49/11/63/1068491163.db2.gz BRTVGZHQVQLZEZ-JLTOFOAXSA-N 1 0 448.528 -1.044 20 0 IAADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CCN2C1=O ZINC001295888045 1068491288 /nfs/dbraw/zinc/49/12/88/1068491288.db2.gz BRTVGZHQVQLZEZ-VBKZILBWSA-N 1 0 448.528 -1.044 20 0 IAADRO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CCN2C1=O ZINC001295888046 1068491235 /nfs/dbraw/zinc/49/12/35/1068491235.db2.gz BRTVGZHQVQLZEZ-VLIAUNLRSA-N 1 0 448.528 -1.044 20 0 IAADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CCN2C1=O ZINC001295888047 1068491089 /nfs/dbraw/zinc/49/10/89/1068491089.db2.gz BRTVGZHQVQLZEZ-XOBRGWDASA-N 1 0 448.528 -1.044 20 0 IAADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001296047050 1068491120 /nfs/dbraw/zinc/49/11/20/1068491120.db2.gz RLNDVLFHQBMIMY-CABCVRRESA-N 1 0 441.558 -1.111 20 0 IAADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001296047051 1068491212 /nfs/dbraw/zinc/49/12/12/1068491212.db2.gz RLNDVLFHQBMIMY-GJZGRUSLSA-N 1 0 441.558 -1.111 20 0 IAADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001296047052 1068491250 /nfs/dbraw/zinc/49/12/50/1068491250.db2.gz RLNDVLFHQBMIMY-HUUCEWRRSA-N 1 0 441.558 -1.111 20 0 IAADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001296047053 1068491198 /nfs/dbraw/zinc/49/11/98/1068491198.db2.gz RLNDVLFHQBMIMY-LSDHHAIUSA-N 1 0 441.558 -1.111 20 0 IAADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001296290857 1068491106 /nfs/dbraw/zinc/49/11/06/1068491106.db2.gz LFKGDZYWIGLKHD-FOIQADDNSA-N 1 0 434.545 -1.446 20 0 IAADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001296290859 1068491174 /nfs/dbraw/zinc/49/11/74/1068491174.db2.gz LFKGDZYWIGLKHD-MGPUTAFESA-N 1 0 434.545 -1.446 20 0 IAADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001296290862 1068491802 /nfs/dbraw/zinc/49/18/02/1068491802.db2.gz LFKGDZYWIGLKHD-QRWLVFNGSA-N 1 0 434.545 -1.446 20 0 IAADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001296290865 1068491769 /nfs/dbraw/zinc/49/17/69/1068491769.db2.gz LFKGDZYWIGLKHD-YWZLYKJASA-N 1 0 434.545 -1.446 20 0 IAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)C1=O ZINC001297607058 1068492493 /nfs/dbraw/zinc/49/24/93/1068492493.db2.gz QECVXDDXOKAGPA-GDBMZVCRSA-N 1 0 439.538 -1.037 20 0 IAADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)C1=O ZINC001297607063 1068492431 /nfs/dbraw/zinc/49/24/31/1068492431.db2.gz QECVXDDXOKAGPA-GOEBONIOSA-N 1 0 439.538 -1.037 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)C1=O ZINC001297607065 1068492569 /nfs/dbraw/zinc/49/25/69/1068492569.db2.gz QECVXDDXOKAGPA-HOCLYGCPSA-N 1 0 439.538 -1.037 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)C1=O ZINC001297607066 1068492633 /nfs/dbraw/zinc/49/26/33/1068492633.db2.gz QECVXDDXOKAGPA-ZBFHGGJFSA-N 1 0 439.538 -1.037 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1=O ZINC001298846153 1068495108 /nfs/dbraw/zinc/49/51/08/1068495108.db2.gz IXJOSMSQIYDQLA-CYBMUJFWSA-N 1 0 428.515 -1.574 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1=O ZINC001298846154 1068495089 /nfs/dbraw/zinc/49/50/89/1068495089.db2.gz IXJOSMSQIYDQLA-ZDUSSCGKSA-N 1 0 428.515 -1.574 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001298881526 1068494989 /nfs/dbraw/zinc/49/49/89/1068494989.db2.gz GZHAPRDNZRTDTI-PBHICJAKSA-N 1 0 430.531 -1.486 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001298881528 1068495034 /nfs/dbraw/zinc/49/50/34/1068495034.db2.gz GZHAPRDNZRTDTI-RHSMWYFYSA-N 1 0 430.531 -1.486 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001298881530 1068495068 /nfs/dbraw/zinc/49/50/68/1068495068.db2.gz GZHAPRDNZRTDTI-WMLDXEAASA-N 1 0 430.531 -1.486 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)C1 ZINC001298881532 1068495005 /nfs/dbraw/zinc/49/50/05/1068495005.db2.gz GZHAPRDNZRTDTI-YOEHRIQHSA-N 1 0 430.531 -1.486 20 0 IAADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298953711 1068494951 /nfs/dbraw/zinc/49/49/51/1068494951.db2.gz PCGPZOODMPDAHQ-IGCXYCKISA-N 1 0 431.563 -1.227 20 0 IAADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298953712 1068495013 /nfs/dbraw/zinc/49/50/13/1068495013.db2.gz PCGPZOODMPDAHQ-IIYDPXPESA-N 1 0 431.563 -1.227 20 0 IAADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298953713 1068495760 /nfs/dbraw/zinc/49/57/60/1068495760.db2.gz PCGPZOODMPDAHQ-PBFPGSCMSA-N 1 0 431.563 -1.227 20 0 IAADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298953716 1068495744 /nfs/dbraw/zinc/49/57/44/1068495744.db2.gz PCGPZOODMPDAHQ-XNJGSVPQSA-N 1 0 431.563 -1.227 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001299269273 1067961441 /nfs/dbraw/zinc/96/14/41/1067961441.db2.gz OZYQKXFMBOISHW-CXAGYDPISA-N 1 0 444.562 -1.584 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001299269274 1067961456 /nfs/dbraw/zinc/96/14/56/1067961456.db2.gz OZYQKXFMBOISHW-DYVFJYSZSA-N 1 0 444.562 -1.584 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001299269275 1067961575 /nfs/dbraw/zinc/96/15/75/1067961575.db2.gz OZYQKXFMBOISHW-GUYCJALGSA-N 1 0 444.562 -1.584 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001299269276 1067961498 /nfs/dbraw/zinc/96/14/98/1067961498.db2.gz OZYQKXFMBOISHW-SUMWQHHRSA-N 1 0 444.562 -1.584 20 0 IAADRO COCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301737146 1068497918 /nfs/dbraw/zinc/49/79/18/1068497918.db2.gz VQKXBTSZGYWMCQ-KRWDZBQOSA-N 1 0 442.524 -1.011 20 0 IAADRO COCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301737147 1068497789 /nfs/dbraw/zinc/49/77/89/1068497789.db2.gz VQKXBTSZGYWMCQ-QGZVFWFLSA-N 1 0 442.524 -1.011 20 0 IAADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001302487160 1068501335 /nfs/dbraw/zinc/50/13/35/1068501335.db2.gz YKUNJXWUPPTUKK-AWEZNQCLSA-N 1 0 427.531 -1.357 20 0 IAADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)C3)n2CC[NH+]2CCCC2)C1 ZINC001302487167 1068501372 /nfs/dbraw/zinc/50/13/72/1068501372.db2.gz YKUNJXWUPPTUKK-CQSZACIVSA-N 1 0 427.531 -1.357 20 0 IAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303050409 1068501742 /nfs/dbraw/zinc/50/17/42/1068501742.db2.gz RQHRIGKMGQTMED-CVEARBPZSA-N 1 0 428.559 -1.000 20 0 IAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303050430 1068502405 /nfs/dbraw/zinc/50/24/05/1068502405.db2.gz RQHRIGKMGQTMED-HOTGVXAUSA-N 1 0 428.559 -1.000 20 0 IAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303050433 1068502521 /nfs/dbraw/zinc/50/25/21/1068502521.db2.gz RQHRIGKMGQTMED-HZPDHXFCSA-N 1 0 428.559 -1.000 20 0 IAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303050436 1068502230 /nfs/dbraw/zinc/50/22/30/1068502230.db2.gz RQHRIGKMGQTMED-JKSUJKDBSA-N 1 0 428.559 -1.000 20 0 IAADRO O=C1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1 ZINC001303115608 1068502277 /nfs/dbraw/zinc/50/22/77/1068502277.db2.gz PLILFFZLNYGRRM-CABCVRRESA-N 1 0 426.543 -1.037 20 0 IAADRO O=C1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1 ZINC001303115609 1068502447 /nfs/dbraw/zinc/50/24/47/1068502447.db2.gz PLILFFZLNYGRRM-GJZGRUSLSA-N 1 0 426.543 -1.037 20 0 IAADRO O=C1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCN1 ZINC001303115610 1068502490 /nfs/dbraw/zinc/50/24/90/1068502490.db2.gz PLILFFZLNYGRRM-HUUCEWRRSA-N 1 0 426.543 -1.037 20 0 IAADRO O=C1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCN1 ZINC001303115611 1068502179 /nfs/dbraw/zinc/50/21/79/1068502179.db2.gz PLILFFZLNYGRRM-LSDHHAIUSA-N 1 0 426.543 -1.037 20 0 IAADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001303723743 1068503544 /nfs/dbraw/zinc/50/35/44/1068503544.db2.gz VKNNAHPNNZZYSF-KBPBESRZSA-N 1 0 429.547 -1.161 20 0 IAADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001303723744 1068503552 /nfs/dbraw/zinc/50/35/52/1068503552.db2.gz VKNNAHPNNZZYSF-KGLIPLIRSA-N 1 0 429.547 -1.161 20 0 IAADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001303723745 1068503392 /nfs/dbraw/zinc/50/33/92/1068503392.db2.gz VKNNAHPNNZZYSF-UONOGXRCSA-N 1 0 429.547 -1.161 20 0 IAADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001303723746 1068503360 /nfs/dbraw/zinc/50/33/60/1068503360.db2.gz VKNNAHPNNZZYSF-ZIAGYGMSSA-N 1 0 429.547 -1.161 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303819966 1068504113 /nfs/dbraw/zinc/50/41/13/1068504113.db2.gz IOVDHAYPJYQKOH-CRAIPNDOSA-N 1 0 445.590 -1.277 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303819967 1068504008 /nfs/dbraw/zinc/50/40/08/1068504008.db2.gz IOVDHAYPJYQKOH-MAUKXSAKSA-N 1 0 445.590 -1.277 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303819968 1068504053 /nfs/dbraw/zinc/50/40/53/1068504053.db2.gz IOVDHAYPJYQKOH-QAPCUYQASA-N 1 0 445.590 -1.277 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303819969 1068503824 /nfs/dbraw/zinc/50/38/24/1068503824.db2.gz IOVDHAYPJYQKOH-YJBOKZPZSA-N 1 0 445.590 -1.277 20 0 IAADRO O=C(C[N@H+]1C[C@H](CO)[C@H](CO)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001308021517 1068508561 /nfs/dbraw/zinc/50/85/61/1068508561.db2.gz LSTXQBPKXUPYDJ-CALCHBBNSA-N 1 0 427.523 -1.144 20 0 IAADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001308112121 1068508527 /nfs/dbraw/zinc/50/85/27/1068508527.db2.gz HQRGNMLQPXAIOC-IBGZPJMESA-N 1 0 426.539 -1.238 20 0 IAADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001308112130 1068508660 /nfs/dbraw/zinc/50/86/60/1068508660.db2.gz HQRGNMLQPXAIOC-LJQANCHMSA-N 1 0 426.539 -1.238 20 0 IAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC001309078547 1068509258 /nfs/dbraw/zinc/50/92/58/1068509258.db2.gz ARVUBZQXUAFCMK-UHFFFAOYSA-N 1 0 429.543 -1.753 20 0 IAADRO COCCCS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001309295372 1068509860 /nfs/dbraw/zinc/50/98/60/1068509860.db2.gz CDROSJQNKOQJKU-UHFFFAOYSA-N 1 0 426.605 -1.062 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001309445094 1068509770 /nfs/dbraw/zinc/50/97/70/1068509770.db2.gz OEACKGOJRHXOKS-HNNXBMFYSA-N 1 0 440.588 -1.680 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001309445101 1068509914 /nfs/dbraw/zinc/50/99/14/1068509914.db2.gz OEACKGOJRHXOKS-OAHLLOKOSA-N 1 0 440.588 -1.680 20 0 IAADRO O=C(NC[C@]12COCCN1C(=O)COC2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001313169462 1068511456 /nfs/dbraw/zinc/51/14/56/1068511456.db2.gz XDBCZXNTOZQPLZ-FXAWDEMLSA-N 1 0 425.530 -1.290 20 0 IAADRO O=C(NC[C@@]12COCCN1C(=O)COC2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001313169477 1068511200 /nfs/dbraw/zinc/51/12/00/1068511200.db2.gz XDBCZXNTOZQPLZ-PXNSSMCTSA-N 1 0 425.530 -1.290 20 0 IAADRO O=C(NC[C@@]12COCCN1C(=O)COC2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001313169478 1068511586 /nfs/dbraw/zinc/51/15/86/1068511586.db2.gz XDBCZXNTOZQPLZ-XLIONFOSSA-N 1 0 425.530 -1.290 20 0 IAADRO O=C(NC[C@]12COCCN1C(=O)COC2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001313169479 1068511295 /nfs/dbraw/zinc/51/12/95/1068511295.db2.gz XDBCZXNTOZQPLZ-YLJYHZDGSA-N 1 0 425.530 -1.290 20 0 IAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001314395639 1068513188 /nfs/dbraw/zinc/51/31/88/1068513188.db2.gz LXTOEYQEZSPUHH-DLBZAZTESA-N 1 0 448.572 -1.012 20 0 IAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001314395640 1068513109 /nfs/dbraw/zinc/51/31/09/1068513109.db2.gz LXTOEYQEZSPUHH-IAGOWNOFSA-N 1 0 448.572 -1.012 20 0 IAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001314395641 1068512937 /nfs/dbraw/zinc/51/29/37/1068512937.db2.gz LXTOEYQEZSPUHH-IRXDYDNUSA-N 1 0 448.572 -1.012 20 0 IAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001314395642 1068513067 /nfs/dbraw/zinc/51/30/67/1068513067.db2.gz LXTOEYQEZSPUHH-SJORKVTESA-N 1 0 448.572 -1.012 20 0 IAADRO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314922689 1068514977 /nfs/dbraw/zinc/51/49/77/1068514977.db2.gz KBUICBIOFQDAQH-KRWDZBQOSA-N 1 0 429.547 -1.434 20 0 IAADRO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314922726 1068514898 /nfs/dbraw/zinc/51/48/98/1068514898.db2.gz KBUICBIOFQDAQH-QGZVFWFLSA-N 1 0 429.547 -1.434 20 0 IAADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001315012027 1068515961 /nfs/dbraw/zinc/51/59/61/1068515961.db2.gz YNGIPMGTDCNUFX-JLTOFOAXSA-N 1 0 444.496 -1.057 20 0 IAADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001315012028 1068515876 /nfs/dbraw/zinc/51/58/76/1068515876.db2.gz YNGIPMGTDCNUFX-VBKZILBWSA-N 1 0 444.496 -1.057 20 0 IAADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001315012029 1068516044 /nfs/dbraw/zinc/51/60/44/1068516044.db2.gz YNGIPMGTDCNUFX-VLIAUNLRSA-N 1 0 444.496 -1.057 20 0 IAADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001315012030 1068516015 /nfs/dbraw/zinc/51/60/15/1068516015.db2.gz YNGIPMGTDCNUFX-XOBRGWDASA-N 1 0 444.496 -1.057 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)CCOC)CC1 ZINC001315054988 1068516422 /nfs/dbraw/zinc/51/64/22/1068516422.db2.gz BLNJEZUGYZQTFZ-AWEZNQCLSA-N 1 0 446.578 -1.072 20 0 IAADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)CCOC)CC1 ZINC001315054989 1068516590 /nfs/dbraw/zinc/51/65/90/1068516590.db2.gz BLNJEZUGYZQTFZ-CQSZACIVSA-N 1 0 446.578 -1.072 20 0 IAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001315068196 1068516892 /nfs/dbraw/zinc/51/68/92/1068516892.db2.gz XNKYUTOXXTXHAT-CABCVRRESA-N 1 0 441.558 -1.063 20 0 IAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001315068197 1068517135 /nfs/dbraw/zinc/51/71/35/1068517135.db2.gz XNKYUTOXXTXHAT-GJZGRUSLSA-N 1 0 441.558 -1.063 20 0 IAADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001315068198 1068517041 /nfs/dbraw/zinc/51/70/41/1068517041.db2.gz XNKYUTOXXTXHAT-HUUCEWRRSA-N 1 0 441.558 -1.063 20 0 IAADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001315068199 1068517171 /nfs/dbraw/zinc/51/71/71/1068517171.db2.gz XNKYUTOXXTXHAT-LSDHHAIUSA-N 1 0 441.558 -1.063 20 0 IAADRO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1O ZINC001315110047 1068518102 /nfs/dbraw/zinc/51/81/02/1068518102.db2.gz RREVMKRGMHDSJY-STXHMFSFSA-N 1 0 436.513 -1.173 20 0 IAADRO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1O ZINC001315110049 1068517964 /nfs/dbraw/zinc/51/79/64/1068517964.db2.gz RREVMKRGMHDSJY-SXGZJXTBSA-N 1 0 436.513 -1.173 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001316067262 1068518937 /nfs/dbraw/zinc/51/89/37/1068518937.db2.gz CYPFTFKKUBYILS-CVEARBPZSA-N 1 0 445.590 -1.013 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001316067265 1068518814 /nfs/dbraw/zinc/51/88/14/1068518814.db2.gz CYPFTFKKUBYILS-HOTGVXAUSA-N 1 0 445.590 -1.013 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001316067456 1068519023 /nfs/dbraw/zinc/51/90/23/1068519023.db2.gz CYPFTFKKUBYILS-HZPDHXFCSA-N 1 0 445.590 -1.013 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 ZINC001316067458 1068518692 /nfs/dbraw/zinc/51/86/92/1068518692.db2.gz CYPFTFKKUBYILS-JKSUJKDBSA-N 1 0 445.590 -1.013 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001316071068 1068518648 /nfs/dbraw/zinc/51/86/48/1068518648.db2.gz HXHRFWHYRZAHBL-AWEZNQCLSA-N 1 0 445.546 -1.875 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001316071076 1068518770 /nfs/dbraw/zinc/51/87/70/1068518770.db2.gz HXHRFWHYRZAHBL-CQSZACIVSA-N 1 0 445.546 -1.875 20 0 IAADRO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121583 1068518469 /nfs/dbraw/zinc/51/84/69/1068518469.db2.gz SUNDAVJWZPPDJV-CRAIPNDOSA-N 1 0 445.590 -1.277 20 0 IAADRO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121584 1068518579 /nfs/dbraw/zinc/51/85/79/1068518579.db2.gz SUNDAVJWZPPDJV-MAUKXSAKSA-N 1 0 445.590 -1.277 20 0 IAADRO COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121585 1068518890 /nfs/dbraw/zinc/51/88/90/1068518890.db2.gz SUNDAVJWZPPDJV-QAPCUYQASA-N 1 0 445.590 -1.277 20 0 IAADRO COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121586 1068519425 /nfs/dbraw/zinc/51/94/25/1068519425.db2.gz SUNDAVJWZPPDJV-YJBOKZPZSA-N 1 0 445.590 -1.277 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)c2c(=O)n(C)c1=O ZINC001318178350 1068524330 /nfs/dbraw/zinc/52/43/30/1068524330.db2.gz CECGNIDRRPOYMM-AWEZNQCLSA-N 1 0 431.497 -1.236 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2c(=O)n(C)c1=O ZINC001318178361 1068524713 /nfs/dbraw/zinc/52/47/13/1068524713.db2.gz CECGNIDRRPOYMM-CQSZACIVSA-N 1 0 431.497 -1.236 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)C1 ZINC001318293256 1068525358 /nfs/dbraw/zinc/52/53/58/1068525358.db2.gz IOTHBGFVMMMULH-AWEZNQCLSA-N 1 0 430.527 -1.041 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)C1 ZINC001318293257 1068525221 /nfs/dbraw/zinc/52/52/21/1068525221.db2.gz IOTHBGFVMMMULH-CQSZACIVSA-N 1 0 430.527 -1.041 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001318578264 1068526785 /nfs/dbraw/zinc/52/67/85/1068526785.db2.gz ZFHDUOQGVCHKEM-BBWFWOEESA-N 1 0 428.555 -1.455 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001318578267 1068526954 /nfs/dbraw/zinc/52/69/54/1068526954.db2.gz ZFHDUOQGVCHKEM-BRWVUGGUSA-N 1 0 428.555 -1.455 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001318578270 1068526868 /nfs/dbraw/zinc/52/68/68/1068526868.db2.gz ZFHDUOQGVCHKEM-GVDBMIGSSA-N 1 0 428.555 -1.455 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001318578273 1068527006 /nfs/dbraw/zinc/52/70/06/1068527006.db2.gz ZFHDUOQGVCHKEM-ZACQAIPSSA-N 1 0 428.555 -1.455 20 0 IAADRO CC[NH+]1CCN(CCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318856307 1068528295 /nfs/dbraw/zinc/52/82/95/1068528295.db2.gz HZSYPXLGFWXQSQ-KRWDZBQOSA-N 1 0 429.587 -1.539 20 0 IAADRO CC[NH+]1CCN(CCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318856308 1068528448 /nfs/dbraw/zinc/52/84/48/1068528448.db2.gz HZSYPXLGFWXQSQ-QGZVFWFLSA-N 1 0 429.587 -1.539 20 0 IAADRO CN1CC[NH+](CC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)CC1 ZINC001318924004 1068528359 /nfs/dbraw/zinc/52/83/59/1068528359.db2.gz IZSBIDUISLBZPU-UHFFFAOYSA-N 1 0 426.543 -1.122 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC001319212080 1068529305 /nfs/dbraw/zinc/52/93/05/1068529305.db2.gz BONBIJMTKWGRHV-UHFFFAOYSA-N 1 0 433.513 -1.260 20 0 IAADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001319267395 1068529808 /nfs/dbraw/zinc/52/98/08/1068529808.db2.gz USAQBMKOQIKGBW-BZUAXINKSA-N 1 0 449.595 -1.011 20 0 IAADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001319267396 1068529643 /nfs/dbraw/zinc/52/96/43/1068529643.db2.gz USAQBMKOQIKGBW-OAGGEKHMSA-N 1 0 449.595 -1.011 20 0 IAADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001319267397 1068529850 /nfs/dbraw/zinc/52/98/50/1068529850.db2.gz USAQBMKOQIKGBW-OWCLPIDISA-N 1 0 449.595 -1.011 20 0 IAADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001319267398 1068529717 /nfs/dbraw/zinc/52/97/17/1068529717.db2.gz USAQBMKOQIKGBW-PMPSAXMXSA-N 1 0 449.595 -1.011 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 ZINC001319449906 1068530830 /nfs/dbraw/zinc/53/08/30/1068530830.db2.gz BQQVNXWKPOJYGK-FGTMMUONSA-N 1 0 432.587 -1.765 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 ZINC001319449909 1068531153 /nfs/dbraw/zinc/53/11/53/1068531153.db2.gz BQQVNXWKPOJYGK-KURKYZTESA-N 1 0 432.587 -1.765 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 ZINC001319449910 1068531099 /nfs/dbraw/zinc/53/10/99/1068531099.db2.gz BQQVNXWKPOJYGK-KZNAEPCWSA-N 1 0 432.587 -1.765 20 0 IAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 ZINC001319449911 1068530898 /nfs/dbraw/zinc/53/08/98/1068530898.db2.gz BQQVNXWKPOJYGK-SQNIBIBYSA-N 1 0 432.587 -1.765 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001319660412 1068532934 /nfs/dbraw/zinc/53/29/34/1068532934.db2.gz QYLURHMASUSNBP-MSOLQXFVSA-N 1 0 441.598 -1.268 20 0 IAADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001319660427 1068532871 /nfs/dbraw/zinc/53/28/71/1068532871.db2.gz QYLURHMASUSNBP-QZTJIDSGSA-N 1 0 441.598 -1.268 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001319660428 1068532743 /nfs/dbraw/zinc/53/27/43/1068532743.db2.gz QYLURHMASUSNBP-ROUUACIJSA-N 1 0 441.598 -1.268 20 0 IAADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001319660429 1068532966 /nfs/dbraw/zinc/53/29/66/1068532966.db2.gz QYLURHMASUSNBP-ZWKOTPCHSA-N 1 0 441.598 -1.268 20 0 IAADRO CS(=O)(=O)N1CCCN(CC2(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)COC2)CC1 ZINC001320397354 1068535895 /nfs/dbraw/zinc/53/58/95/1068535895.db2.gz CZHJHXFYIYOUSV-UHFFFAOYSA-N 1 0 438.616 -1.062 20 0 IAADRO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001321007165 1068540437 /nfs/dbraw/zinc/54/04/37/1068540437.db2.gz CYUCEJVDJBKDNX-FVQHAEBGSA-N 1 0 440.632 -1.130 20 0 IAADRO CS(=O)(=O)NC[C@@H]1CCCN(CC(O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001321007167 1068540278 /nfs/dbraw/zinc/54/02/78/1068540278.db2.gz CYUCEJVDJBKDNX-HOTGVXAUSA-N 1 0 440.632 -1.130 20 0 IAADRO CS(=O)(=O)NC[C@H]1CCCN(CC(O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001321007169 1068540337 /nfs/dbraw/zinc/54/03/37/1068540337.db2.gz CYUCEJVDJBKDNX-HZPDHXFCSA-N 1 0 440.632 -1.130 20 0 IAADRO Cn1c2ncn(CCC(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC001321074682 1068540207 /nfs/dbraw/zinc/54/02/07/1068540207.db2.gz RZRJDQIFWLXBOL-UHFFFAOYSA-N 1 0 434.497 -1.491 20 0 IAADRO CN1CCN(C)[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C1 ZINC001321720041 1068542683 /nfs/dbraw/zinc/54/26/83/1068542683.db2.gz KJKKAGDNBQATJS-CVEARBPZSA-N 1 0 441.602 -1.486 20 0 IAADRO CN1CCN(C)[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C1 ZINC001321720042 1068542633 /nfs/dbraw/zinc/54/26/33/1068542633.db2.gz KJKKAGDNBQATJS-HOTGVXAUSA-N 1 0 441.602 -1.486 20 0 IAADRO CN1CCN(C)[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C1 ZINC001321720043 1068542484 /nfs/dbraw/zinc/54/24/84/1068542484.db2.gz KJKKAGDNBQATJS-HZPDHXFCSA-N 1 0 441.602 -1.486 20 0 IAADRO CN1CCN(C)[C@H](CNS(=O)(=O)c2c[nH]c(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C1 ZINC001321720044 1068542457 /nfs/dbraw/zinc/54/24/57/1068542457.db2.gz KJKKAGDNBQATJS-JKSUJKDBSA-N 1 0 441.602 -1.486 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322143242 1068545009 /nfs/dbraw/zinc/54/50/09/1068545009.db2.gz BXDZHAONCCLBCE-DZGCQCFKSA-N 1 0 440.526 -1.465 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322143245 1068545001 /nfs/dbraw/zinc/54/50/01/1068545001.db2.gz BXDZHAONCCLBCE-HIFRSBDPSA-N 1 0 440.526 -1.465 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322143248 1068545017 /nfs/dbraw/zinc/54/50/17/1068545017.db2.gz BXDZHAONCCLBCE-UKRRQHHQSA-N 1 0 440.526 -1.465 20 0 IAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322143250 1068544774 /nfs/dbraw/zinc/54/47/74/1068544774.db2.gz BXDZHAONCCLBCE-ZFWWWQNUSA-N 1 0 440.526 -1.465 20 0 IAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001323084834 1068547048 /nfs/dbraw/zinc/54/70/48/1068547048.db2.gz HWXKZQWVCDUDKA-UHFFFAOYSA-N 1 0 427.469 -1.314 20 0 IAADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@@H]2COCCO2)CC1)[C@H]1COCCO1 ZINC001323194335 1068547203 /nfs/dbraw/zinc/54/72/03/1068547203.db2.gz ZGXWPUWJFWRLFB-HDICACEKSA-N 1 0 428.530 -1.553 20 0 IAADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@H]2COCCO2)CC1)[C@H]1COCCO1 ZINC001323194337 1068546943 /nfs/dbraw/zinc/54/69/43/1068546943.db2.gz ZGXWPUWJFWRLFB-QZTJIDSGSA-N 1 0 428.530 -1.553 20 0 IAADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@@H]2COCCO2)CC1)[C@@H]1COCCO1 ZINC001323194339 1068546998 /nfs/dbraw/zinc/54/69/98/1068546998.db2.gz ZGXWPUWJFWRLFB-ROUUACIJSA-N 1 0 428.530 -1.553 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001323450962 1068547960 /nfs/dbraw/zinc/54/79/60/1068547960.db2.gz BEWZRLXQSZWQTP-GOSISDBHSA-N 1 0 443.614 -1.293 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001323450964 1068548093 /nfs/dbraw/zinc/54/80/93/1068548093.db2.gz BEWZRLXQSZWQTP-SFHVURJKSA-N 1 0 443.614 -1.293 20 0 IAADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001324706058 1068551471 /nfs/dbraw/zinc/55/14/71/1068551471.db2.gz IUZQDOWBPVSEGI-DLBZAZTESA-N 1 0 445.586 -1.272 20 0 IAADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001324706059 1068551327 /nfs/dbraw/zinc/55/13/27/1068551327.db2.gz IUZQDOWBPVSEGI-IAGOWNOFSA-N 1 0 445.586 -1.272 20 0 IAADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001324706060 1068551508 /nfs/dbraw/zinc/55/15/08/1068551508.db2.gz IUZQDOWBPVSEGI-IRXDYDNUSA-N 1 0 445.586 -1.272 20 0 IAADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001324706061 1068551366 /nfs/dbraw/zinc/55/13/66/1068551366.db2.gz IUZQDOWBPVSEGI-SJORKVTESA-N 1 0 445.586 -1.272 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325141381 1068552269 /nfs/dbraw/zinc/55/22/69/1068552269.db2.gz YSKRFMKYGWHKNQ-CVEARBPZSA-N 1 0 444.554 -1.729 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325141382 1068552333 /nfs/dbraw/zinc/55/23/33/1068552333.db2.gz YSKRFMKYGWHKNQ-HOTGVXAUSA-N 1 0 444.554 -1.729 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325141383 1068552513 /nfs/dbraw/zinc/55/25/13/1068552513.db2.gz YSKRFMKYGWHKNQ-HZPDHXFCSA-N 1 0 444.554 -1.729 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325141384 1068552498 /nfs/dbraw/zinc/55/24/98/1068552498.db2.gz YSKRFMKYGWHKNQ-JKSUJKDBSA-N 1 0 444.554 -1.729 20 0 IAADRO O=C(CN1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)CN2CC[C@@H](n3cncn3)C2)CC1 ZINC001325835757 1068553441 /nfs/dbraw/zinc/55/34/41/1068553441.db2.gz NEEPLJJNDPFFBR-QZTJIDSGSA-N 1 0 442.528 -1.266 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001327014330 1068555122 /nfs/dbraw/zinc/55/51/22/1068555122.db2.gz ZQQVPIXAOXOFBG-UHFFFAOYSA-N 1 0 435.485 -1.456 20 0 IAADRO CS(=O)(=O)NCC1CCN(CC(O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001327876447 1068555657 /nfs/dbraw/zinc/55/56/57/1068555657.db2.gz YBUDQWNMFCBCMV-UHFFFAOYSA-N 1 0 440.632 -1.130 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC001330235343 1068556672 /nfs/dbraw/zinc/55/66/72/1068556672.db2.gz CHMXSCOPZOMSIE-UHFFFAOYSA-N 1 0 433.575 -1.415 20 0 IAADRO CN(C)C(=O)[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCCN1C(=O)CNC1=O ZINC001335058735 1068558099 /nfs/dbraw/zinc/55/80/99/1068558099.db2.gz BWNGMHJGTLKSMM-AWEZNQCLSA-N 1 0 437.501 -2.055 20 0 IAADRO CN(C)C(=O)[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCCN1C(=O)CNC1=O ZINC001335058748 1068558124 /nfs/dbraw/zinc/55/81/24/1068558124.db2.gz BWNGMHJGTLKSMM-CQSZACIVSA-N 1 0 437.501 -2.055 20 0 IAADRO O=C(c1cc(S(=O)(=O)N2CCCN(CCO)CC2)c[nH]1)N1CCC[N@H+](CCO)CC1 ZINC001335332760 1068558593 /nfs/dbraw/zinc/55/85/93/1068558593.db2.gz KJHFXEIIZNLKCE-UHFFFAOYSA-N 1 0 443.570 -1.156 20 0 IAADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001337430439 1068559112 /nfs/dbraw/zinc/55/91/12/1068559112.db2.gz MXIPXVPOOUHYDJ-GOSISDBHSA-N 1 0 444.598 -1.523 20 0 IAADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001337430446 1068559339 /nfs/dbraw/zinc/55/93/39/1068559339.db2.gz MXIPXVPOOUHYDJ-SFHVURJKSA-N 1 0 444.598 -1.523 20 0 IAADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)CCS(=O)(=O)CC1 ZINC001338681040 1068560322 /nfs/dbraw/zinc/56/03/22/1068560322.db2.gz INMRJVGKZSRXNM-UHFFFAOYSA-N 1 0 432.543 -1.681 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001339824655 1068562534 /nfs/dbraw/zinc/56/25/34/1068562534.db2.gz LCVDPWXFZLAZDQ-UHFFFAOYSA-N 1 0 439.494 -1.373 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001340125829 1068562506 /nfs/dbraw/zinc/56/25/06/1068562506.db2.gz SIXHZKOLRXTTBP-CABCVRRESA-N 1 0 431.559 -1.078 20 0 IAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001340125830 1068562520 /nfs/dbraw/zinc/56/25/20/1068562520.db2.gz SIXHZKOLRXTTBP-GJZGRUSLSA-N 1 0 431.559 -1.078 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001340125831 1068562243 /nfs/dbraw/zinc/56/22/43/1068562243.db2.gz SIXHZKOLRXTTBP-HUUCEWRRSA-N 1 0 431.559 -1.078 20 0 IAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001340125832 1068562407 /nfs/dbraw/zinc/56/24/07/1068562407.db2.gz SIXHZKOLRXTTBP-LSDHHAIUSA-N 1 0 431.559 -1.078 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC001344550189 1068565721 /nfs/dbraw/zinc/56/57/21/1068565721.db2.gz VLAGRURNZYOHNU-UHFFFAOYSA-N 1 0 440.522 -1.192 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360668256 1068569626 /nfs/dbraw/zinc/56/96/26/1068569626.db2.gz XUMNDPPNZPKBPL-DCGLDWPTSA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360668261 1068569464 /nfs/dbraw/zinc/56/94/64/1068569464.db2.gz XUMNDPPNZPKBPL-GDZNZVCISA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360668263 1068569514 /nfs/dbraw/zinc/56/95/14/1068569514.db2.gz XUMNDPPNZPKBPL-IGCXYCKISA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360668265 1068569245 /nfs/dbraw/zinc/56/92/45/1068569245.db2.gz XUMNDPPNZPKBPL-IIYDPXPESA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360689301 1068569355 /nfs/dbraw/zinc/56/93/55/1068569355.db2.gz WXWMFEFIVCQECM-DOPJRALCSA-N 1 0 441.558 -1.329 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360689302 1068569489 /nfs/dbraw/zinc/56/94/89/1068569489.db2.gz WXWMFEFIVCQECM-KKXDTOCCSA-N 1 0 441.558 -1.329 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360689303 1068569655 /nfs/dbraw/zinc/56/96/55/1068569655.db2.gz WXWMFEFIVCQECM-MORSLUCNSA-N 1 0 441.558 -1.329 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360689304 1068569697 /nfs/dbraw/zinc/56/96/97/1068569697.db2.gz WXWMFEFIVCQECM-VHSSKADRSA-N 1 0 441.558 -1.329 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360708667 1068569975 /nfs/dbraw/zinc/56/99/75/1068569975.db2.gz AXQAGCNWXCIMQO-CYBMUJFWSA-N 1 0 429.547 -1.329 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001360708668 1068570146 /nfs/dbraw/zinc/57/01/46/1068570146.db2.gz AXQAGCNWXCIMQO-ZDUSSCGKSA-N 1 0 429.547 -1.329 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709175 1068569941 /nfs/dbraw/zinc/56/99/41/1068569941.db2.gz KCRYCYUDWIIVIO-CVEARBPZSA-N 1 0 445.590 -1.013 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709176 1068570620 /nfs/dbraw/zinc/57/06/20/1068570620.db2.gz KCRYCYUDWIIVIO-HOTGVXAUSA-N 1 0 445.590 -1.013 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709177 1068570479 /nfs/dbraw/zinc/57/04/79/1068570479.db2.gz KCRYCYUDWIIVIO-HZPDHXFCSA-N 1 0 445.590 -1.013 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709178 1068570750 /nfs/dbraw/zinc/57/07/50/1068570750.db2.gz KCRYCYUDWIIVIO-JKSUJKDBSA-N 1 0 445.590 -1.013 20 0 IAADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001441795072 1068572941 /nfs/dbraw/zinc/57/29/41/1068572941.db2.gz HFAASJWPTBPHEW-AWEZNQCLSA-N 1 0 433.556 -1.281 20 0 IAADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC001441795081 1068573077 /nfs/dbraw/zinc/57/30/77/1068573077.db2.gz HFAASJWPTBPHEW-CQSZACIVSA-N 1 0 433.556 -1.281 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1=O ZINC001450722151 1068574319 /nfs/dbraw/zinc/57/43/19/1068574319.db2.gz KRUHHTFVTOOAMV-ARFHVFGLSA-N 1 0 444.554 -1.683 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1=O ZINC001450722152 1068574272 /nfs/dbraw/zinc/57/42/72/1068574272.db2.gz KRUHHTFVTOOAMV-BZUAXINKSA-N 1 0 444.554 -1.683 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1=O ZINC001450722153 1068574173 /nfs/dbraw/zinc/57/41/73/1068574173.db2.gz KRUHHTFVTOOAMV-OAGGEKHMSA-N 1 0 444.554 -1.683 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1=O ZINC001450722154 1068574144 /nfs/dbraw/zinc/57/41/44/1068574144.db2.gz KRUHHTFVTOOAMV-XHSDSOJGSA-N 1 0 444.554 -1.683 20 0 IAADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001451451046 1068574830 /nfs/dbraw/zinc/57/48/30/1068574830.db2.gz ACBUFPRDWUZDLB-UHFFFAOYSA-N 1 0 427.527 -1.232 20 0 IAADRO Cn1cc([C@@H]2[C@@H](C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001451464121 1068574895 /nfs/dbraw/zinc/57/48/95/1068574895.db2.gz YOJFUMXQFLETHM-KZNAEPCWSA-N 1 0 434.541 -1.177 20 0 IAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001452151767 1068575048 /nfs/dbraw/zinc/57/50/48/1068575048.db2.gz PFCJPRKTOPQCGK-AWEZNQCLSA-N 1 0 437.522 -1.001 20 0 IAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001452151769 1068574928 /nfs/dbraw/zinc/57/49/28/1068574928.db2.gz PFCJPRKTOPQCGK-CQSZACIVSA-N 1 0 437.522 -1.001 20 0 IAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001461325788 1068579151 /nfs/dbraw/zinc/57/91/51/1068579151.db2.gz XXGDCDYEZQOVLM-UHFFFAOYSA-N 1 0 427.527 -1.108 20 0 IAADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001462405847 1068578953 /nfs/dbraw/zinc/57/89/53/1068578953.db2.gz WVXVEOHPUBEPJZ-KBXCAEBGSA-N 1 0 430.527 -1.043 20 0 IAADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001462405862 1068579048 /nfs/dbraw/zinc/57/90/48/1068579048.db2.gz WVXVEOHPUBEPJZ-KDOFPFPSSA-N 1 0 430.527 -1.043 20 0 IAADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001462405880 1068579278 /nfs/dbraw/zinc/57/92/78/1068579278.db2.gz WVXVEOHPUBEPJZ-KSSFIOAISA-N 1 0 430.527 -1.043 20 0 IAADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001462405897 1068579232 /nfs/dbraw/zinc/57/92/32/1068579232.db2.gz WVXVEOHPUBEPJZ-RDTXWAMCSA-N 1 0 430.527 -1.043 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001463600387 1068579669 /nfs/dbraw/zinc/57/96/69/1068579669.db2.gz UQAIBJFBCRYBAD-UHFFFAOYSA-N 1 0 426.561 -2.070 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001463856219 1068579641 /nfs/dbraw/zinc/57/96/41/1068579641.db2.gz GVRHUZUHBKEMMP-UHFFFAOYSA-N 1 0 446.551 -1.399 20 0 IAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001464170452 1068580265 /nfs/dbraw/zinc/58/02/65/1068580265.db2.gz ZNZRUMVBOMLULC-KBPBESRZSA-N 1 0 431.515 -1.879 20 0 IAADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001464318498 1068581367 /nfs/dbraw/zinc/58/13/67/1068581367.db2.gz KVODSSZVQGGLMR-AWEZNQCLSA-N 1 0 433.556 -1.281 20 0 IAADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001464318660 1068581182 /nfs/dbraw/zinc/58/11/82/1068581182.db2.gz KVODSSZVQGGLMR-CQSZACIVSA-N 1 0 433.556 -1.281 20 0 IAADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001466341733 1068583069 /nfs/dbraw/zinc/58/30/69/1068583069.db2.gz FEBRHHZCTGMXGL-CVEARBPZSA-N 1 0 429.539 -1.292 20 0 IAADRO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001466341734 1068583159 /nfs/dbraw/zinc/58/31/59/1068583159.db2.gz FEBRHHZCTGMXGL-HOTGVXAUSA-N 1 0 429.539 -1.292 20 0 IAADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001466341735 1068583330 /nfs/dbraw/zinc/58/33/30/1068583330.db2.gz FEBRHHZCTGMXGL-HZPDHXFCSA-N 1 0 429.539 -1.292 20 0 IAADRO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001466341736 1068583187 /nfs/dbraw/zinc/58/31/87/1068583187.db2.gz FEBRHHZCTGMXGL-JKSUJKDBSA-N 1 0 429.539 -1.292 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001467863424 1068583711 /nfs/dbraw/zinc/58/37/11/1068583711.db2.gz KILNVWTUVFFIDZ-HNNXBMFYSA-N 1 0 431.559 -1.368 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001467863425 1068583955 /nfs/dbraw/zinc/58/39/55/1068583955.db2.gz KILNVWTUVFFIDZ-OAHLLOKOSA-N 1 0 431.559 -1.368 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1=O ZINC001468670480 1068584456 /nfs/dbraw/zinc/58/44/56/1068584456.db2.gz NGBDGAKDURNWAC-AWEZNQCLSA-N 1 0 425.511 -1.221 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1=O ZINC001468670481 1068584562 /nfs/dbraw/zinc/58/45/62/1068584562.db2.gz NGBDGAKDURNWAC-CQSZACIVSA-N 1 0 425.511 -1.221 20 0 IAADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001469771504 1068584424 /nfs/dbraw/zinc/58/44/24/1068584424.db2.gz IARDEFQDLSLASV-CYBMUJFWSA-N 1 0 425.511 -1.315 20 0 IAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001469771506 1068584621 /nfs/dbraw/zinc/58/46/21/1068584621.db2.gz IARDEFQDLSLASV-ZDUSSCGKSA-N 1 0 425.511 -1.315 20 0 IAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001469982223 1068584604 /nfs/dbraw/zinc/58/46/04/1068584604.db2.gz KBFXOCPAAAMDGL-UHFFFAOYSA-N 1 0 448.567 -1.153 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001471182640 1068585555 /nfs/dbraw/zinc/58/55/55/1068585555.db2.gz PLQXNSFIDPIIMZ-IBGZPJMESA-N 1 0 440.589 -1.127 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001471182647 1068585604 /nfs/dbraw/zinc/58/56/04/1068585604.db2.gz PLQXNSFIDPIIMZ-LJQANCHMSA-N 1 0 440.589 -1.127 20 0 IAADRO Cn1cc([C@@H]2[C@@H](C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001471536821 1068586327 /nfs/dbraw/zinc/58/63/27/1068586327.db2.gz BXYCVWSGYZWVRS-NCXUSEDFSA-N 1 0 434.541 -1.177 20 0 IAADRO Cn1cc([C@@H]2[C@@H](C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001471536823 1068586278 /nfs/dbraw/zinc/58/62/78/1068586278.db2.gz BXYCVWSGYZWVRS-WJFTUGDTSA-N 1 0 434.541 -1.177 20 0 IAADRO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473491042 1068588700 /nfs/dbraw/zinc/58/87/00/1068588700.db2.gz RLIAUGDYVSBQCH-IYBDPMFKSA-N 1 0 436.490 -1.472 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001475240098 1068589336 /nfs/dbraw/zinc/58/93/36/1068589336.db2.gz MCAMTBLVXFBWJP-HNNXBMFYSA-N 1 0 425.573 -1.137 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001475240099 1068589166 /nfs/dbraw/zinc/58/91/66/1068589166.db2.gz MCAMTBLVXFBWJP-OAHLLOKOSA-N 1 0 425.573 -1.137 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477658701 1068590314 /nfs/dbraw/zinc/59/03/14/1068590314.db2.gz YXKCTJOQQMFUEZ-KRWDZBQOSA-N 1 0 433.575 -1.256 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477658702 1068590229 /nfs/dbraw/zinc/59/02/29/1068590229.db2.gz YXKCTJOQQMFUEZ-QGZVFWFLSA-N 1 0 433.575 -1.256 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1=O ZINC001477752886 1068590206 /nfs/dbraw/zinc/59/02/06/1068590206.db2.gz DFHISOVXYXVUCK-UHFFFAOYSA-N 1 0 432.529 -1.069 20 0 IAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001477855175 1068590427 /nfs/dbraw/zinc/59/04/27/1068590427.db2.gz QQBVIMIGMJJYKP-INIZCTEOSA-N 1 0 441.558 -1.168 20 0 IAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001477855176 1068590359 /nfs/dbraw/zinc/59/03/59/1068590359.db2.gz QQBVIMIGMJJYKP-MRXNPFEDSA-N 1 0 441.558 -1.168 20 0 IAADRO COCCNC(=O)CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001478817724 1068590936 /nfs/dbraw/zinc/59/09/36/1068590936.db2.gz HEEBXGBRQLKQIQ-UHFFFAOYSA-N 1 0 440.589 -1.127 20 0 IAADRO C[NH+]1CCC(CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)(N2CCOCC2)CC1 ZINC001478819408 1068590802 /nfs/dbraw/zinc/59/08/02/1068590802.db2.gz SANLLWFIFCRNRX-INIZCTEOSA-N 1 0 433.575 -1.257 20 0 IAADRO C[NH+]1CCC(CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)(N2CCOCC2)CC1 ZINC001478819409 1068590862 /nfs/dbraw/zinc/59/08/62/1068590862.db2.gz SANLLWFIFCRNRX-MRXNPFEDSA-N 1 0 433.575 -1.257 20 0 IAADRO C[NH+]1CCC(CNC(=O)NC[C@@]23COCCN2C(=O)COC3)(N2CCOCC2)CC1 ZINC001478820440 1068590773 /nfs/dbraw/zinc/59/07/73/1068590773.db2.gz ZJTLZHQLHZUSCN-FQEVSTJZSA-N 1 0 425.530 -1.290 20 0 IAADRO C[NH+]1CCC(CNC(=O)NC[C@]23COCCN2C(=O)COC3)(N2CCOCC2)CC1 ZINC001478820441 1068590906 /nfs/dbraw/zinc/59/09/06/1068590906.db2.gz ZJTLZHQLHZUSCN-HXUWFJFHSA-N 1 0 425.530 -1.290 20 0 IAADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001494342825 1068591715 /nfs/dbraw/zinc/59/17/15/1068591715.db2.gz HFUBDEJXVKVIIA-IIDMSEBBSA-N 1 0 444.558 -1.097 20 0 IAADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001494342827 1068591781 /nfs/dbraw/zinc/59/17/81/1068591781.db2.gz HFUBDEJXVKVIIA-RKVPGOIHSA-N 1 0 444.558 -1.097 20 0 IAADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001494342829 1068591960 /nfs/dbraw/zinc/59/19/60/1068591960.db2.gz HFUBDEJXVKVIIA-RVKKMQEKSA-N 1 0 444.558 -1.097 20 0 IAADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001494342830 1068591947 /nfs/dbraw/zinc/59/19/47/1068591947.db2.gz HFUBDEJXVKVIIA-VKJFTORMSA-N 1 0 444.558 -1.097 20 0 IAADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502319459 1068592885 /nfs/dbraw/zinc/59/28/85/1068592885.db2.gz PRUPIWGCDQANIY-CHWSQXEVSA-N 1 0 437.592 -1.032 20 0 IAADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502319460 1068592787 /nfs/dbraw/zinc/59/27/87/1068592787.db2.gz PRUPIWGCDQANIY-OLZOCXBDSA-N 1 0 437.592 -1.032 20 0 IAADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502319461 1068592921 /nfs/dbraw/zinc/59/29/21/1068592921.db2.gz PRUPIWGCDQANIY-QWHCGFSZSA-N 1 0 437.592 -1.032 20 0 IAADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502319462 1068593051 /nfs/dbraw/zinc/59/30/51/1068593051.db2.gz PRUPIWGCDQANIY-STQMWFEESA-N 1 0 437.592 -1.032 20 0 IAADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503099723 1068593539 /nfs/dbraw/zinc/59/35/39/1068593539.db2.gz UAMWPGWSSWXCJU-FQEVSTJZSA-N 1 0 435.529 -1.192 20 0 IAADRO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503099724 1068593500 /nfs/dbraw/zinc/59/35/00/1068593500.db2.gz UAMWPGWSSWXCJU-HXUWFJFHSA-N 1 0 435.529 -1.192 20 0 IAADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503397076 1068594747 /nfs/dbraw/zinc/59/47/47/1068594747.db2.gz XWUABALGDXDJOQ-KBPBESRZSA-N 1 0 432.529 -1.036 20 0 IAADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503397077 1068594606 /nfs/dbraw/zinc/59/46/06/1068594606.db2.gz XWUABALGDXDJOQ-KGLIPLIRSA-N 1 0 432.529 -1.036 20 0 IAADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503397078 1068595157 /nfs/dbraw/zinc/59/51/57/1068595157.db2.gz XWUABALGDXDJOQ-UONOGXRCSA-N 1 0 432.529 -1.036 20 0 IAADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503397079 1068595267 /nfs/dbraw/zinc/59/52/67/1068595267.db2.gz XWUABALGDXDJOQ-ZIAGYGMSSA-N 1 0 432.529 -1.036 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001503404684 1068595287 /nfs/dbraw/zinc/59/52/87/1068595287.db2.gz OAGIOUKNUIVPLH-AWEZNQCLSA-N 1 0 445.546 -1.875 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001503404689 1068595346 /nfs/dbraw/zinc/59/53/46/1068595346.db2.gz OAGIOUKNUIVPLH-CQSZACIVSA-N 1 0 445.546 -1.875 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503405592 1068595147 /nfs/dbraw/zinc/59/51/47/1068595147.db2.gz YPHGYTWSMNOACE-KBPBESRZSA-N 1 0 434.501 -2.046 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503405624 1068595199 /nfs/dbraw/zinc/59/51/99/1068595199.db2.gz YPHGYTWSMNOACE-KGLIPLIRSA-N 1 0 434.501 -2.046 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503405625 1068595257 /nfs/dbraw/zinc/59/52/57/1068595257.db2.gz YPHGYTWSMNOACE-UONOGXRCSA-N 1 0 434.501 -2.046 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503405626 1068595416 /nfs/dbraw/zinc/59/54/16/1068595416.db2.gz YPHGYTWSMNOACE-ZIAGYGMSSA-N 1 0 434.501 -2.046 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001503678198 1068596233 /nfs/dbraw/zinc/59/62/33/1068596233.db2.gz FGQDTMNZVZZQFO-KBXCAEBGSA-N 1 0 441.558 -1.233 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001503678199 1068596381 /nfs/dbraw/zinc/59/63/81/1068596381.db2.gz FGQDTMNZVZZQFO-KDOFPFPSSA-N 1 0 441.558 -1.233 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001503678200 1068596458 /nfs/dbraw/zinc/59/64/58/1068596458.db2.gz FGQDTMNZVZZQFO-KSSFIOAISA-N 1 0 441.558 -1.233 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001503678201 1068596317 /nfs/dbraw/zinc/59/63/17/1068596317.db2.gz FGQDTMNZVZZQFO-RDTXWAMCSA-N 1 0 441.558 -1.233 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001503681508 1068596249 /nfs/dbraw/zinc/59/62/49/1068596249.db2.gz UEQCCNQHXCTPQN-GOSISDBHSA-N 1 0 441.558 -1.451 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001503681513 1068596435 /nfs/dbraw/zinc/59/64/35/1068596435.db2.gz UEQCCNQHXCTPQN-SFHVURJKSA-N 1 0 441.558 -1.451 20 0 IAADRO COC(=O)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503854594 1068599116 /nfs/dbraw/zinc/59/91/16/1068599116.db2.gz KBXHNQCODWBIFV-AHIWAGSCSA-N 1 0 430.531 -1.046 20 0 IAADRO COC(=O)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503854595 1068599188 /nfs/dbraw/zinc/59/91/88/1068599188.db2.gz KBXHNQCODWBIFV-OGHNNQOOSA-N 1 0 430.531 -1.046 20 0 IAADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001503854596 1068599140 /nfs/dbraw/zinc/59/91/40/1068599140.db2.gz KBXHNQCODWBIFV-PBFPGSCMSA-N 1 0 430.531 -1.046 20 0 IAADRO COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503854597 1068599040 /nfs/dbraw/zinc/59/90/40/1068599040.db2.gz KBXHNQCODWBIFV-XNJGSVPQSA-N 1 0 430.531 -1.046 20 0 IAADRO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503893235 1068599014 /nfs/dbraw/zinc/59/90/14/1068599014.db2.gz VCPNESSFWZLIGG-CXAGYDPISA-N 1 0 445.546 -1.157 20 0 IAADRO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503893236 1068599082 /nfs/dbraw/zinc/59/90/82/1068599082.db2.gz VCPNESSFWZLIGG-DYVFJYSZSA-N 1 0 445.546 -1.157 20 0 IAADRO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001503893237 1068599218 /nfs/dbraw/zinc/59/92/18/1068599218.db2.gz VCPNESSFWZLIGG-GUYCJALGSA-N 1 0 445.546 -1.157 20 0 IAADRO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001503893238 1068598986 /nfs/dbraw/zinc/59/89/86/1068598986.db2.gz VCPNESSFWZLIGG-SUMWQHHRSA-N 1 0 445.546 -1.157 20 0 IAADRO COCC[N@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504849543 1068600261 /nfs/dbraw/zinc/60/02/61/1068600261.db2.gz CNACHKVMIMCPNY-CVEARBPZSA-N 1 0 435.529 -1.103 20 0 IAADRO COCC[N@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504849546 1068600106 /nfs/dbraw/zinc/60/01/06/1068600106.db2.gz CNACHKVMIMCPNY-HOTGVXAUSA-N 1 0 435.529 -1.103 20 0 IAADRO COCC[N@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504849548 1068600240 /nfs/dbraw/zinc/60/02/40/1068600240.db2.gz CNACHKVMIMCPNY-HZPDHXFCSA-N 1 0 435.529 -1.103 20 0 IAADRO COCC[N@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504849550 1068600292 /nfs/dbraw/zinc/60/02/92/1068600292.db2.gz CNACHKVMIMCPNY-JKSUJKDBSA-N 1 0 435.529 -1.103 20 0 IAADRO COCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504853478 1068600159 /nfs/dbraw/zinc/60/01/59/1068600159.db2.gz CAIQPADSUPEJAD-AWEZNQCLSA-N 1 0 436.517 -1.859 20 0 IAADRO COCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504853487 1068600300 /nfs/dbraw/zinc/60/03/00/1068600300.db2.gz CAIQPADSUPEJAD-CQSZACIVSA-N 1 0 436.517 -1.859 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504857449 1068600080 /nfs/dbraw/zinc/60/00/80/1068600080.db2.gz ODPLBLNZIHIFSN-KBPBESRZSA-N 1 0 434.501 -2.046 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504857453 1068600184 /nfs/dbraw/zinc/60/01/84/1068600184.db2.gz ODPLBLNZIHIFSN-KGLIPLIRSA-N 1 0 434.501 -2.046 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504857455 1068600312 /nfs/dbraw/zinc/60/03/12/1068600312.db2.gz ODPLBLNZIHIFSN-UONOGXRCSA-N 1 0 434.501 -2.046 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504857457 1068600137 /nfs/dbraw/zinc/60/01/37/1068600137.db2.gz ODPLBLNZIHIFSN-ZIAGYGMSSA-N 1 0 434.501 -2.046 20 0 IAADRO CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001505113132 1068600741 /nfs/dbraw/zinc/60/07/41/1068600741.db2.gz PLCRDTULLHQDFI-DAYGRLMNSA-N 1 0 444.558 -1.097 20 0 IAADRO CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001505113133 1068600848 /nfs/dbraw/zinc/60/08/48/1068600848.db2.gz PLCRDTULLHQDFI-HDMKZQKVSA-N 1 0 444.558 -1.097 20 0 IAADRO CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001505113134 1068600829 /nfs/dbraw/zinc/60/08/29/1068600829.db2.gz PLCRDTULLHQDFI-MPGHIAIKSA-N 1 0 444.558 -1.097 20 0 IAADRO CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001505113135 1068600768 /nfs/dbraw/zinc/60/07/68/1068600768.db2.gz PLCRDTULLHQDFI-RLFYNMQTSA-N 1 0 444.558 -1.097 20 0 IAADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001505141092 1068601995 /nfs/dbraw/zinc/60/19/95/1068601995.db2.gz ZCEOTDWSKQKNTB-HNNXBMFYSA-N 1 0 439.542 -1.191 20 0 IAADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001505141098 1068601980 /nfs/dbraw/zinc/60/19/80/1068601980.db2.gz ZCEOTDWSKQKNTB-OAHLLOKOSA-N 1 0 439.542 -1.191 20 0 IAADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001508372447 1068604490 /nfs/dbraw/zinc/60/44/90/1068604490.db2.gz UUCPHVLZOFSRAK-JXFKEZNVSA-N 1 0 435.529 -1.078 20 0 IAADRO CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001508372460 1068604621 /nfs/dbraw/zinc/60/46/21/1068604621.db2.gz UUCPHVLZOFSRAK-OXJNMPFZSA-N 1 0 435.529 -1.078 20 0 IAADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001508372464 1068604611 /nfs/dbraw/zinc/60/46/11/1068604611.db2.gz UUCPHVLZOFSRAK-OXQOHEQNSA-N 1 0 435.529 -1.078 20 0 IAADRO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001508372466 1068604522 /nfs/dbraw/zinc/60/45/22/1068604522.db2.gz UUCPHVLZOFSRAK-UZLBHIALSA-N 1 0 435.529 -1.078 20 0 IAADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001509523882 1068605194 /nfs/dbraw/zinc/60/51/94/1068605194.db2.gz DKHFQDPQGAKRMK-HNNXBMFYSA-N 1 0 432.529 -1.112 20 0 IAADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001509523887 1068605235 /nfs/dbraw/zinc/60/52/35/1068605235.db2.gz DKHFQDPQGAKRMK-OAHLLOKOSA-N 1 0 432.529 -1.112 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001509685211 1068605785 /nfs/dbraw/zinc/60/57/85/1068605785.db2.gz ILJPKKSZXZYIHG-KRWDZBQOSA-N 1 0 429.547 -1.436 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001509685213 1068605871 /nfs/dbraw/zinc/60/58/71/1068605871.db2.gz ILJPKKSZXZYIHG-QGZVFWFLSA-N 1 0 429.547 -1.436 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001509686211 1068605825 /nfs/dbraw/zinc/60/58/25/1068605825.db2.gz KVDNEHGDSGGCGF-HNNXBMFYSA-N 1 0 430.513 -1.175 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001509686214 1068605910 /nfs/dbraw/zinc/60/59/10/1068605910.db2.gz KVDNEHGDSGGCGF-OAHLLOKOSA-N 1 0 430.513 -1.175 20 0 IAADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001510061866 1068605865 /nfs/dbraw/zinc/60/58/65/1068605865.db2.gz OMBJNDUVUCJDQX-HZSPNIEDSA-N 1 0 429.547 -1.127 20 0 IAADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001510061872 1068605903 /nfs/dbraw/zinc/60/59/03/1068605903.db2.gz OMBJNDUVUCJDQX-MCIONIFRSA-N 1 0 429.547 -1.127 20 0 IAADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001510061876 1068605924 /nfs/dbraw/zinc/60/59/24/1068605924.db2.gz OMBJNDUVUCJDQX-MGPQQGTHSA-N 1 0 429.547 -1.127 20 0 IAADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001510061882 1068605861 /nfs/dbraw/zinc/60/58/61/1068605861.db2.gz OMBJNDUVUCJDQX-RDBSUJKOSA-N 1 0 429.547 -1.127 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001510198716 1068606499 /nfs/dbraw/zinc/60/64/99/1068606499.db2.gz FEBLCZCYWMUKEG-DOPJRALCSA-N 1 0 441.558 -1.186 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510198723 1068606550 /nfs/dbraw/zinc/60/65/50/1068606550.db2.gz FEBLCZCYWMUKEG-KKXDTOCCSA-N 1 0 441.558 -1.186 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001510198726 1068606618 /nfs/dbraw/zinc/60/66/18/1068606618.db2.gz FEBLCZCYWMUKEG-MORSLUCNSA-N 1 0 441.558 -1.186 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510198729 1068606559 /nfs/dbraw/zinc/60/65/59/1068606559.db2.gz FEBLCZCYWMUKEG-VHSSKADRSA-N 1 0 441.558 -1.186 20 0 IAADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001513975890 1068609208 /nfs/dbraw/zinc/60/92/08/1068609208.db2.gz HYUJOYBGJFQBTF-AHIWAGSCSA-N 1 0 429.547 -1.330 20 0 IAADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001513975891 1068609122 /nfs/dbraw/zinc/60/91/22/1068609122.db2.gz HYUJOYBGJFQBTF-OGHNNQOOSA-N 1 0 429.547 -1.330 20 0 IAADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001513975892 1068609008 /nfs/dbraw/zinc/60/90/08/1068609008.db2.gz HYUJOYBGJFQBTF-PBFPGSCMSA-N 1 0 429.547 -1.330 20 0 IAADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001513975893 1068609183 /nfs/dbraw/zinc/60/91/83/1068609183.db2.gz HYUJOYBGJFQBTF-XNJGSVPQSA-N 1 0 429.547 -1.330 20 0 IAADRO CCO[C@@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001516151224 1068609661 /nfs/dbraw/zinc/60/96/61/1068609661.db2.gz BUPDTGNHLYHQPK-MSOLQXFVSA-N 1 0 446.574 -1.018 20 0 IAADRO CCO[C@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001516151236 1068609546 /nfs/dbraw/zinc/60/95/46/1068609546.db2.gz BUPDTGNHLYHQPK-QZTJIDSGSA-N 1 0 446.574 -1.018 20 0 IAADRO CCO[C@@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001516151240 1068610357 /nfs/dbraw/zinc/61/03/57/1068610357.db2.gz BUPDTGNHLYHQPK-ROUUACIJSA-N 1 0 446.574 -1.018 20 0 IAADRO CCO[C@]1(c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001516151242 1068610201 /nfs/dbraw/zinc/61/02/01/1068610201.db2.gz BUPDTGNHLYHQPK-ZWKOTPCHSA-N 1 0 446.574 -1.018 20 0 IAADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001517027769 1068611269 /nfs/dbraw/zinc/61/12/69/1068611269.db2.gz OMMXZKVVINNJFW-KRWDZBQOSA-N 1 0 442.524 -1.011 20 0 IAADRO C[NH+](C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001517027770 1068611244 /nfs/dbraw/zinc/61/12/44/1068611244.db2.gz OMMXZKVVINNJFW-QGZVFWFLSA-N 1 0 442.524 -1.011 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001517413170 1068612608 /nfs/dbraw/zinc/61/26/08/1068612608.db2.gz KPZVJSNHSYUYDC-GOSISDBHSA-N 1 0 441.558 -1.338 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001517413189 1068612620 /nfs/dbraw/zinc/61/26/20/1068612620.db2.gz KPZVJSNHSYUYDC-SFHVURJKSA-N 1 0 441.558 -1.338 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001517413252 1068612575 /nfs/dbraw/zinc/61/25/75/1068612575.db2.gz JYBSJLCGKRQWPN-CXAGYDPISA-N 1 0 443.530 -2.386 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001517413261 1068612669 /nfs/dbraw/zinc/61/26/69/1068612669.db2.gz JYBSJLCGKRQWPN-DYVFJYSZSA-N 1 0 443.530 -2.386 20 0 IAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001517413262 1068612697 /nfs/dbraw/zinc/61/26/97/1068612697.db2.gz JYBSJLCGKRQWPN-GUYCJALGSA-N 1 0 443.530 -2.386 20 0 IAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)C1 ZINC001517413263 1068612639 /nfs/dbraw/zinc/61/26/39/1068612639.db2.gz JYBSJLCGKRQWPN-SUMWQHHRSA-N 1 0 443.530 -2.386 20 0 IAADRO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001517621797 1068614485 /nfs/dbraw/zinc/61/44/85/1068614485.db2.gz CKEZNYJOPFTUKC-CYBMUJFWSA-N 1 0 437.592 -1.032 20 0 IAADRO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001517621800 1068614429 /nfs/dbraw/zinc/61/44/29/1068614429.db2.gz CKEZNYJOPFTUKC-ZDUSSCGKSA-N 1 0 437.592 -1.032 20 0 IAADRO COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001517911735 1068615128 /nfs/dbraw/zinc/61/51/28/1068615128.db2.gz CQZCAZSJPGFISP-KBXCAEBGSA-N 1 0 444.558 -1.097 20 0 IAADRO COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001517911759 1068615108 /nfs/dbraw/zinc/61/51/08/1068615108.db2.gz CQZCAZSJPGFISP-KDOFPFPSSA-N 1 0 444.558 -1.097 20 0 IAADRO COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001517911762 1068615032 /nfs/dbraw/zinc/61/50/32/1068615032.db2.gz CQZCAZSJPGFISP-KSSFIOAISA-N 1 0 444.558 -1.097 20 0 IAADRO COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001517911766 1068615095 /nfs/dbraw/zinc/61/50/95/1068615095.db2.gz CQZCAZSJPGFISP-RDTXWAMCSA-N 1 0 444.558 -1.097 20 0 IAADRO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001518913108 1068615779 /nfs/dbraw/zinc/61/57/79/1068615779.db2.gz ONFHGUHLFUIWOW-GRDNDAEWSA-N 1 0 432.547 -1.194 20 0 IAADRO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001518913118 1068615749 /nfs/dbraw/zinc/61/57/49/1068615749.db2.gz ONFHGUHLFUIWOW-JKIFEVAISA-N 1 0 432.547 -1.194 20 0 IAADRO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001518913121 1068615662 /nfs/dbraw/zinc/61/56/62/1068615662.db2.gz ONFHGUHLFUIWOW-KEYYUXOJSA-N 1 0 432.547 -1.194 20 0 IAADRO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001518913125 1068615726 /nfs/dbraw/zinc/61/57/26/1068615726.db2.gz ONFHGUHLFUIWOW-ZQIUZPCESA-N 1 0 432.547 -1.194 20 0 IAADRO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519109228 1068616360 /nfs/dbraw/zinc/61/63/60/1068616360.db2.gz QESXELLSOWMTEW-HNNXBMFYSA-N 1 0 443.512 -1.150 20 0 IAADRO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519109229 1068616496 /nfs/dbraw/zinc/61/64/96/1068616496.db2.gz QESXELLSOWMTEW-OAHLLOKOSA-N 1 0 443.512 -1.150 20 0 IAADRO COCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519114665 1068616522 /nfs/dbraw/zinc/61/65/22/1068616522.db2.gz IYAIJXKAQRVPTR-AWEZNQCLSA-N 1 0 429.485 -1.540 20 0 IAADRO COCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519114669 1068616446 /nfs/dbraw/zinc/61/64/46/1068616446.db2.gz IYAIJXKAQRVPTR-CQSZACIVSA-N 1 0 429.485 -1.540 20 0 IAADRO COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519118355 1068616474 /nfs/dbraw/zinc/61/64/74/1068616474.db2.gz WFOSQYZAPMINQG-HNNXBMFYSA-N 1 0 431.501 -1.596 20 0 IAADRO COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519118368 1068616504 /nfs/dbraw/zinc/61/65/04/1068616504.db2.gz WFOSQYZAPMINQG-OAHLLOKOSA-N 1 0 431.501 -1.596 20 0 IAADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001519221764 1068617053 /nfs/dbraw/zinc/61/70/53/1068617053.db2.gz SIZLWGRRSHQNFZ-KBPBESRZSA-N 1 0 429.547 -1.065 20 0 IAADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001519221765 1068617143 /nfs/dbraw/zinc/61/71/43/1068617143.db2.gz SIZLWGRRSHQNFZ-KGLIPLIRSA-N 1 0 429.547 -1.065 20 0 IAADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001519221766 1068617105 /nfs/dbraw/zinc/61/71/05/1068617105.db2.gz SIZLWGRRSHQNFZ-UONOGXRCSA-N 1 0 429.547 -1.065 20 0 IAADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001519221767 1068616976 /nfs/dbraw/zinc/61/69/76/1068616976.db2.gz SIZLWGRRSHQNFZ-ZIAGYGMSSA-N 1 0 429.547 -1.065 20 0 IAADRO O=C(CN1C(=O)CCC1=O)NCCN(CC[NH+]1CCCCC1)C(=O)CN1C(=O)CCC1=O ZINC001528215864 1068620734 /nfs/dbraw/zinc/62/07/34/1068620734.db2.gz TUHMVAPRKBUUHP-UHFFFAOYSA-N 1 0 449.508 -1.285 20 0 IAADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541945310 1068627421 /nfs/dbraw/zinc/62/74/21/1068627421.db2.gz FLAJFGMDQMIRIL-AGIUHOORSA-N 1 0 442.546 -2.015 20 0 IAADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+](C)C ZINC001541945311 1068627458 /nfs/dbraw/zinc/62/74/58/1068627458.db2.gz FLAJFGMDQMIRIL-AVGNSLFASA-N 1 0 442.546 -2.015 20 0 IAADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541945312 1068627484 /nfs/dbraw/zinc/62/74/84/1068627484.db2.gz FLAJFGMDQMIRIL-FRRDWIJNSA-N 1 0 442.546 -2.015 20 0 IAADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001541945313 1068627443 /nfs/dbraw/zinc/62/74/43/1068627443.db2.gz FLAJFGMDQMIRIL-RWMBFGLXSA-N 1 0 442.546 -2.015 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541946036 1068628059 /nfs/dbraw/zinc/62/80/59/1068628059.db2.gz OWNQNWKELWXNKX-AWEZNQCLSA-N 1 0 442.590 -1.150 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541946037 1068627934 /nfs/dbraw/zinc/62/79/34/1068627934.db2.gz OWNQNWKELWXNKX-CQSZACIVSA-N 1 0 442.590 -1.150 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541946070 1068628009 /nfs/dbraw/zinc/62/80/09/1068628009.db2.gz PGZITGWRAHIKHF-AHIWAGSCSA-N 1 0 442.546 -1.831 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541946071 1068627876 /nfs/dbraw/zinc/62/78/76/1068627876.db2.gz PGZITGWRAHIKHF-DCGLDWPTSA-N 1 0 442.546 -1.831 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541946072 1068627924 /nfs/dbraw/zinc/62/79/24/1068627924.db2.gz PGZITGWRAHIKHF-GDZNZVCISA-N 1 0 442.546 -1.831 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541946073 1068628050 /nfs/dbraw/zinc/62/80/50/1068628050.db2.gz PGZITGWRAHIKHF-OGHNNQOOSA-N 1 0 442.546 -1.831 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001541946142 1068627989 /nfs/dbraw/zinc/62/79/89/1068627989.db2.gz QGMBAJQLXMKPNF-AWEZNQCLSA-N 1 0 429.547 -1.063 20 0 IAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001541946143 1068627891 /nfs/dbraw/zinc/62/78/91/1068627891.db2.gz QGMBAJQLXMKPNF-CQSZACIVSA-N 1 0 429.547 -1.063 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001544912178 1068631778 /nfs/dbraw/zinc/63/17/78/1068631778.db2.gz RFXGFHNNWLJCBY-BMFZPTHFSA-N 1 0 426.539 -1.037 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001544912180 1068631710 /nfs/dbraw/zinc/63/17/10/1068631710.db2.gz RFXGFHNNWLJCBY-BPUTZDHNSA-N 1 0 426.539 -1.037 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001544912182 1068631730 /nfs/dbraw/zinc/63/17/30/1068631730.db2.gz RFXGFHNNWLJCBY-IMJJTQAJSA-N 1 0 426.539 -1.037 20 0 IAADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001544912183 1068631640 /nfs/dbraw/zinc/63/16/40/1068631640.db2.gz RFXGFHNNWLJCBY-KBMXLJTQSA-N 1 0 426.539 -1.037 20 0 IAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001545793803 1068571785 /nfs/dbraw/zinc/57/17/85/1068571785.db2.gz NRMCPOVWRFVXPQ-BBRMVZONSA-N 1 0 426.543 -1.124 20 0 IAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001545793804 1068571879 /nfs/dbraw/zinc/57/18/79/1068571879.db2.gz NRMCPOVWRFVXPQ-CJNGLKHVSA-N 1 0 426.543 -1.124 20 0 IAADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001545793805 1068572043 /nfs/dbraw/zinc/57/20/43/1068572043.db2.gz NRMCPOVWRFVXPQ-CZUORRHYSA-N 1 0 426.543 -1.124 20 0 IAADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001545793806 1068571916 /nfs/dbraw/zinc/57/19/16/1068571916.db2.gz NRMCPOVWRFVXPQ-XJKSGUPXSA-N 1 0 426.543 -1.124 20 0 IAADRO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001546098640 1068577080 /nfs/dbraw/zinc/57/70/80/1068577080.db2.gz KHSUCQPMKVBKFB-HNNXBMFYSA-N 1 0 442.538 -1.162 20 0 IAADRO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001546098641 1068577362 /nfs/dbraw/zinc/57/73/62/1068577362.db2.gz KHSUCQPMKVBKFB-OAHLLOKOSA-N 1 0 442.538 -1.162 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001546098852 1068577234 /nfs/dbraw/zinc/57/72/34/1068577234.db2.gz PGSYAJWCXNNRGP-UHFFFAOYSA-N 1 0 434.559 -1.494 20 0 IAADRO CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547918950 1068633088 /nfs/dbraw/zinc/63/30/88/1068633088.db2.gz IIHDCZJMZQKFKP-CDHQVMDDSA-N 1 0 438.529 -1.052 20 0 IAADRO CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547918957 1068633066 /nfs/dbraw/zinc/63/30/66/1068633066.db2.gz IIHDCZJMZQKFKP-CWFSZBLJSA-N 1 0 438.529 -1.052 20 0 IAADRO CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547918958 1068633720 /nfs/dbraw/zinc/63/37/20/1068633720.db2.gz IIHDCZJMZQKFKP-RYGJVYDSSA-N 1 0 438.529 -1.052 20 0 IAADRO CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547918959 1068633669 /nfs/dbraw/zinc/63/36/69/1068633669.db2.gz IIHDCZJMZQKFKP-UIAACRFSSA-N 1 0 438.529 -1.052 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001552875283 1068634836 /nfs/dbraw/zinc/63/48/36/1068634836.db2.gz DCMXNTIOMCXWCS-CVEARBPZSA-N 1 0 435.529 -1.103 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001552875286 1068634952 /nfs/dbraw/zinc/63/49/52/1068634952.db2.gz DCMXNTIOMCXWCS-HOTGVXAUSA-N 1 0 435.529 -1.103 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001552875290 1068634789 /nfs/dbraw/zinc/63/47/89/1068634789.db2.gz DCMXNTIOMCXWCS-HZPDHXFCSA-N 1 0 435.529 -1.103 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001552875294 1068635396 /nfs/dbraw/zinc/63/53/96/1068635396.db2.gz DCMXNTIOMCXWCS-JKSUJKDBSA-N 1 0 435.529 -1.103 20 0 IAADRO Cn1cc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCOCC[NH+](C)C)cn1 ZINC001552875358 1068635454 /nfs/dbraw/zinc/63/54/54/1068635454.db2.gz MDXSMMAWWFVXIN-HNNXBMFYSA-N 1 0 431.501 -1.596 20 0 IAADRO Cn1cc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCOCC[NH+](C)C)cn1 ZINC001552875365 1068635490 /nfs/dbraw/zinc/63/54/90/1068635490.db2.gz MDXSMMAWWFVXIN-OAHLLOKOSA-N 1 0 431.501 -1.596 20 0 IAADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001554358301 1068636718 /nfs/dbraw/zinc/63/67/18/1068636718.db2.gz NMWMLAYTICVCDK-FOIQADDNSA-N 1 0 434.545 -1.494 20 0 IAADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001554358302 1068636673 /nfs/dbraw/zinc/63/66/73/1068636673.db2.gz NMWMLAYTICVCDK-MGPUTAFESA-N 1 0 434.545 -1.494 20 0 IAADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001554358303 1068636764 /nfs/dbraw/zinc/63/67/64/1068636764.db2.gz NMWMLAYTICVCDK-QRWLVFNGSA-N 1 0 434.545 -1.494 20 0 IAADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001554358304 1068636749 /nfs/dbraw/zinc/63/67/49/1068636749.db2.gz NMWMLAYTICVCDK-YWZLYKJASA-N 1 0 434.545 -1.494 20 0 IAADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001554398491 1068637338 /nfs/dbraw/zinc/63/73/38/1068637338.db2.gz POSFROHLKLCROB-FSPWUOQZSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001554398492 1068637278 /nfs/dbraw/zinc/63/72/78/1068637278.db2.gz POSFROHLKLCROB-MORSLUCNSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001554398493 1068637250 /nfs/dbraw/zinc/63/72/50/1068637250.db2.gz POSFROHLKLCROB-VHSSKADRSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001554398494 1068637238 /nfs/dbraw/zinc/63/72/38/1068637238.db2.gz POSFROHLKLCROB-XWIAVFTESA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001554419964 1068637265 /nfs/dbraw/zinc/63/72/65/1068637265.db2.gz WNJVOPXUOVOKGI-HBUWYVDXSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001554419965 1068637322 /nfs/dbraw/zinc/63/73/22/1068637322.db2.gz WNJVOPXUOVOKGI-IYOUNJFTSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001554419966 1068637285 /nfs/dbraw/zinc/63/72/85/1068637285.db2.gz WNJVOPXUOVOKGI-LBTNJELSSA-N 1 0 443.574 -1.083 20 0 IAADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001554419967 1068637243 /nfs/dbraw/zinc/63/72/43/1068637243.db2.gz WNJVOPXUOVOKGI-PMUMKWKESA-N 1 0 443.574 -1.083 20 0 IAADRO COCC[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555521878 1068640358 /nfs/dbraw/zinc/64/03/58/1068640358.db2.gz KHMIFQUWBARORG-INIZCTEOSA-N 1 0 445.528 -1.206 20 0 IAADRO COCC[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555521879 1068640472 /nfs/dbraw/zinc/64/04/72/1068640472.db2.gz KHMIFQUWBARORG-MRXNPFEDSA-N 1 0 445.528 -1.206 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001555523940 1068640392 /nfs/dbraw/zinc/64/03/92/1068640392.db2.gz PDEIJERBTDYBML-KBPBESRZSA-N 1 0 444.562 -1.320 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001555523941 1068640491 /nfs/dbraw/zinc/64/04/91/1068640491.db2.gz PDEIJERBTDYBML-KGLIPLIRSA-N 1 0 444.562 -1.320 20 0 IAADRO COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001555523942 1068640882 /nfs/dbraw/zinc/64/08/82/1068640882.db2.gz PDEIJERBTDYBML-UONOGXRCSA-N 1 0 444.562 -1.320 20 0 IAADRO COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001555523943 1068640988 /nfs/dbraw/zinc/64/09/88/1068640988.db2.gz PDEIJERBTDYBML-ZIAGYGMSSA-N 1 0 444.562 -1.320 20 0 IAADRO COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555524579 1068640959 /nfs/dbraw/zinc/64/09/59/1068640959.db2.gz YHXUDCFIOVTBSI-HNNXBMFYSA-N 1 0 448.528 -1.761 20 0 IAADRO COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555524585 1068640911 /nfs/dbraw/zinc/64/09/11/1068640911.db2.gz YHXUDCFIOVTBSI-OAHLLOKOSA-N 1 0 448.528 -1.761 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC1=O ZINC001556884463 1068644113 /nfs/dbraw/zinc/64/41/13/1068644113.db2.gz BBGLYDYAPYWCJA-CYBMUJFWSA-N 1 0 438.510 -1.109 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC1=O ZINC001556884464 1068644086 /nfs/dbraw/zinc/64/40/86/1068644086.db2.gz BBGLYDYAPYWCJA-ZDUSSCGKSA-N 1 0 438.510 -1.109 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)CC1=O ZINC001556884977 1068644219 /nfs/dbraw/zinc/64/42/19/1068644219.db2.gz POFWKDDKSGPYLL-CYBMUJFWSA-N 1 0 427.527 -1.200 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)CC1=O ZINC001556884978 1068644030 /nfs/dbraw/zinc/64/40/30/1068644030.db2.gz POFWKDDKSGPYLL-ZDUSSCGKSA-N 1 0 427.527 -1.200 20 0 IAADRO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001557024092 1068644816 /nfs/dbraw/zinc/64/48/16/1068644816.db2.gz IZGJGLBYNSQEEU-DLBZAZTESA-N 1 0 442.582 -1.065 20 0 IAADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001557024093 1068644922 /nfs/dbraw/zinc/64/49/22/1068644922.db2.gz IZGJGLBYNSQEEU-IAGOWNOFSA-N 1 0 442.582 -1.065 20 0 IAADRO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001557024094 1068644957 /nfs/dbraw/zinc/64/49/57/1068644957.db2.gz IZGJGLBYNSQEEU-IRXDYDNUSA-N 1 0 442.582 -1.065 20 0 IAADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001557024095 1068644800 /nfs/dbraw/zinc/64/48/00/1068644800.db2.gz IZGJGLBYNSQEEU-SJORKVTESA-N 1 0 442.582 -1.065 20 0 IAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001557024239 1068644751 /nfs/dbraw/zinc/64/47/51/1068644751.db2.gz OHYCORAWZMNDBY-HNNXBMFYSA-N 1 0 428.559 -1.000 20 0 IAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001557024240 1068644812 /nfs/dbraw/zinc/64/48/12/1068644812.db2.gz OHYCORAWZMNDBY-OAHLLOKOSA-N 1 0 428.559 -1.000 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1=O ZINC001557340531 1068644940 /nfs/dbraw/zinc/64/49/40/1068644940.db2.gz MXDZJWMYJAMGKB-AWEZNQCLSA-N 1 0 437.522 -1.081 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1=O ZINC001557340532 1068644834 /nfs/dbraw/zinc/64/48/34/1068644834.db2.gz MXDZJWMYJAMGKB-CQSZACIVSA-N 1 0 437.522 -1.081 20 0 IAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001557433836 1068644891 /nfs/dbraw/zinc/64/48/91/1068644891.db2.gz OWDIBPRRRNESMC-UHFFFAOYSA-N 1 0 427.483 -1.280 20 0 IAADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cn1 ZINC001558920755 1068647548 /nfs/dbraw/zinc/64/75/48/1068647548.db2.gz MNQIEABBHPPZNO-BSDSXHPESA-N 1 0 425.555 -1.243 20 0 IAADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cn1 ZINC001558920756 1068647499 /nfs/dbraw/zinc/64/74/99/1068647499.db2.gz MNQIEABBHPPZNO-FJIDUMEYSA-N 1 0 425.555 -1.243 20 0 IAADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cn1 ZINC001558920757 1068647652 /nfs/dbraw/zinc/64/76/52/1068647652.db2.gz MNQIEABBHPPZNO-MLHJIOFPSA-N 1 0 425.555 -1.243 20 0 IAADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cn1 ZINC001558920758 1068647575 /nfs/dbraw/zinc/64/75/75/1068647575.db2.gz MNQIEABBHPPZNO-WNRNVDISSA-N 1 0 425.555 -1.243 20 0 IAADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001559612908 1068648352 /nfs/dbraw/zinc/64/83/52/1068648352.db2.gz QBLAVPGMUHYVJA-GOSISDBHSA-N 1 0 443.614 -1.104 20 0 IAADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001559612909 1068648414 /nfs/dbraw/zinc/64/84/14/1068648414.db2.gz QBLAVPGMUHYVJA-SFHVURJKSA-N 1 0 443.614 -1.104 20 0 IAADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)c1 ZINC001559853190 1068648504 /nfs/dbraw/zinc/64/85/04/1068648504.db2.gz RNRXYFSXSQMJDT-CALCHBBNSA-N 1 0 448.501 -1.074 20 0 IAADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001561652326 1068650376 /nfs/dbraw/zinc/65/03/76/1068650376.db2.gz LVSULXYWFFAGDE-UHFFFAOYSA-N 1 0 426.605 -1.016 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1=O ZINC001561841296 1068650992 /nfs/dbraw/zinc/65/09/92/1068650992.db2.gz YUORBQXEXSPOIO-CYBMUJFWSA-N 1 0 434.540 -1.209 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1=O ZINC001561841297 1068651142 /nfs/dbraw/zinc/65/11/42/1068651142.db2.gz YUORBQXEXSPOIO-ZDUSSCGKSA-N 1 0 434.540 -1.209 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1=O ZINC001568773830 1068654379 /nfs/dbraw/zinc/65/43/79/1068654379.db2.gz HHDMBSYQGGDOIG-BMFZPTHFSA-N 1 0 426.539 -1.167 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)C1=O ZINC001568773831 1068654208 /nfs/dbraw/zinc/65/42/08/1068654208.db2.gz HHDMBSYQGGDOIG-BPUTZDHNSA-N 1 0 426.539 -1.167 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1=O ZINC001568773832 1068654266 /nfs/dbraw/zinc/65/42/66/1068654266.db2.gz HHDMBSYQGGDOIG-IMJJTQAJSA-N 1 0 426.539 -1.167 20 0 IAADRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)C1=O ZINC001568773833 1068654417 /nfs/dbraw/zinc/65/44/17/1068654417.db2.gz HHDMBSYQGGDOIG-KBMXLJTQSA-N 1 0 426.539 -1.167 20 0 IAADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001570227759 1068655194 /nfs/dbraw/zinc/65/51/94/1068655194.db2.gz PHXOSINZJSDHMZ-UHFFFAOYSA-N 1 0 439.538 -1.005 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1=O ZINC001583536565 1068655922 /nfs/dbraw/zinc/65/59/22/1068655922.db2.gz ARHXVIBOMAZIJQ-UHFFFAOYSA-N 1 0 437.522 -1.347 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001587046993 1068658253 /nfs/dbraw/zinc/65/82/53/1068658253.db2.gz MMOYKKVCMJQCOE-CVEARBPZSA-N 1 0 428.555 -1.062 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001587046994 1068658239 /nfs/dbraw/zinc/65/82/39/1068658239.db2.gz MMOYKKVCMJQCOE-HOTGVXAUSA-N 1 0 428.555 -1.062 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001587046996 1068658205 /nfs/dbraw/zinc/65/82/05/1068658205.db2.gz MMOYKKVCMJQCOE-HZPDHXFCSA-N 1 0 428.555 -1.062 20 0 IAADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001587046997 1068658276 /nfs/dbraw/zinc/65/82/76/1068658276.db2.gz MMOYKKVCMJQCOE-JKSUJKDBSA-N 1 0 428.555 -1.062 20 0 IAADRO C[NH+](C)CCn1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001596758007 1068661731 /nfs/dbraw/zinc/66/17/31/1068661731.db2.gz IUVGKQCOYYUJCY-HNNXBMFYSA-N 1 0 433.556 -1.281 20 0 IAADRO C[NH+](C)CCn1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001596758010 1068661615 /nfs/dbraw/zinc/66/16/15/1068661615.db2.gz IUVGKQCOYYUJCY-OAHLLOKOSA-N 1 0 433.556 -1.281 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608584475 1068664023 /nfs/dbraw/zinc/66/40/23/1068664023.db2.gz IHYPVBMIBZDQTC-NRFANRHFSA-N 1 0 448.572 -1.117 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001608584477 1068663769 /nfs/dbraw/zinc/66/37/69/1068663769.db2.gz IHYPVBMIBZDQTC-OAQYLSRUSA-N 1 0 448.572 -1.117 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001608605149 1068663953 /nfs/dbraw/zinc/66/39/53/1068663953.db2.gz JRQAOSWRSRHTNS-BFUOFWGJSA-N 1 0 434.501 -2.370 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608605154 1068663989 /nfs/dbraw/zinc/66/39/89/1068663989.db2.gz JRQAOSWRSRHTNS-DJJJIMSYSA-N 1 0 434.501 -2.370 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001608605155 1068663870 /nfs/dbraw/zinc/66/38/70/1068663870.db2.gz JRQAOSWRSRHTNS-ORAYPTAESA-N 1 0 434.501 -2.370 20 0 IAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001608605157 1068663889 /nfs/dbraw/zinc/66/38/89/1068663889.db2.gz JRQAOSWRSRHTNS-YJYMSZOUSA-N 1 0 434.501 -2.370 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611705297 1068665697 /nfs/dbraw/zinc/66/56/97/1068665697.db2.gz QHAVFAPSWNTQFF-AHIWAGSCSA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611705298 1068666459 /nfs/dbraw/zinc/66/64/59/1068666459.db2.gz QHAVFAPSWNTQFF-DCGLDWPTSA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611705299 1068666279 /nfs/dbraw/zinc/66/62/79/1068666279.db2.gz QHAVFAPSWNTQFF-GDZNZVCISA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611705300 1068666361 /nfs/dbraw/zinc/66/63/61/1068666361.db2.gz QHAVFAPSWNTQFF-OGHNNQOOSA-N 1 0 429.547 -1.378 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611711867 1068666272 /nfs/dbraw/zinc/66/62/72/1068666272.db2.gz UZKVJIPHXPCPJH-AHIWAGSCSA-N 1 0 443.530 -1.404 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611711868 1068666432 /nfs/dbraw/zinc/66/64/32/1068666432.db2.gz UZKVJIPHXPCPJH-DCGLDWPTSA-N 1 0 443.530 -1.404 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611711869 1068666328 /nfs/dbraw/zinc/66/63/28/1068666328.db2.gz UZKVJIPHXPCPJH-GDZNZVCISA-N 1 0 443.530 -1.404 20 0 IAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611711870 1068667024 /nfs/dbraw/zinc/66/70/24/1068667024.db2.gz UZKVJIPHXPCPJH-OGHNNQOOSA-N 1 0 443.530 -1.404 20 0 IAADRO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001612594280 1068667605 /nfs/dbraw/zinc/66/76/05/1068667605.db2.gz XJHXRSVVWTVRLC-CRAIPNDOSA-N 1 0 426.543 -1.121 20 0 IAADRO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001612594281 1068667681 /nfs/dbraw/zinc/66/76/81/1068667681.db2.gz XJHXRSVVWTVRLC-MAUKXSAKSA-N 1 0 426.543 -1.121 20 0 IAADRO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001612594282 1068667635 /nfs/dbraw/zinc/66/76/35/1068667635.db2.gz XJHXRSVVWTVRLC-QAPCUYQASA-N 1 0 426.543 -1.121 20 0 IAADRO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001612594283 1068667570 /nfs/dbraw/zinc/66/75/70/1068667570.db2.gz XJHXRSVVWTVRLC-YJBOKZPZSA-N 1 0 426.543 -1.121 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001615975473 1068670402 /nfs/dbraw/zinc/67/04/02/1068670402.db2.gz JPQNHQJKFVJECU-GLJUWKHASA-N 1 0 441.558 -1.186 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001615975477 1068670507 /nfs/dbraw/zinc/67/05/07/1068670507.db2.gz JPQNHQJKFVJECU-HBUWYVDXSA-N 1 0 441.558 -1.186 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001615975478 1068670540 /nfs/dbraw/zinc/67/05/40/1068670540.db2.gz JPQNHQJKFVJECU-LBTNJELSSA-N 1 0 441.558 -1.186 20 0 IAADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001615975479 1068670384 /nfs/dbraw/zinc/67/03/84/1068670384.db2.gz JPQNHQJKFVJECU-QWQRMKEZSA-N 1 0 441.558 -1.186 20 0 IAADRO COC(=O)CC1([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)CCS(=O)(=O)CC1 ZINC001617352113 1068671972 /nfs/dbraw/zinc/67/19/72/1068671972.db2.gz ATKGSKXPHCQOSM-UHFFFAOYSA-N 1 0 427.545 -1.516 20 0 IAADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001617699975 1068672644 /nfs/dbraw/zinc/67/26/44/1068672644.db2.gz RQWHAZSWJWOKDB-AWEZNQCLSA-N 1 0 429.547 -1.111 20 0 IAADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001617699976 1068672785 /nfs/dbraw/zinc/67/27/85/1068672785.db2.gz RQWHAZSWJWOKDB-CQSZACIVSA-N 1 0 429.547 -1.111 20 0 IAADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001617700251 1068672816 /nfs/dbraw/zinc/67/28/16/1068672816.db2.gz YYDMCGZDDZRNHG-AWEZNQCLSA-N 1 0 429.485 -1.540 20 0 IAADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001617700252 1068672693 /nfs/dbraw/zinc/67/26/93/1068672693.db2.gz YYDMCGZDDZRNHG-CQSZACIVSA-N 1 0 429.485 -1.540 20 0 IAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001618485360 1068674677 /nfs/dbraw/zinc/67/46/77/1068674677.db2.gz QPUKJEAGKMIOOQ-INIZCTEOSA-N 1 0 430.571 -1.208 20 0 IAADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618485364 1068674624 /nfs/dbraw/zinc/67/46/24/1068674624.db2.gz QPUKJEAGKMIOOQ-MRXNPFEDSA-N 1 0 430.571 -1.208 20 0 IAADRO CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001618485617 1068674728 /nfs/dbraw/zinc/67/47/28/1068674728.db2.gz WQFUKXACQDAVAB-GOSISDBHSA-N 1 0 443.614 -1.150 20 0 IAADRO CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001618485618 1068674699 /nfs/dbraw/zinc/67/46/99/1068674699.db2.gz WQFUKXACQDAVAB-SFHVURJKSA-N 1 0 443.614 -1.150 20 0 IAADRO C[NH+](C)CCn1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001618485672 1068674637 /nfs/dbraw/zinc/67/46/37/1068674637.db2.gz XXOKBFVJESETOL-INIZCTEOSA-N 1 0 426.543 -1.494 20 0 IAADRO C[NH+](C)CCn1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001618485673 1068675327 /nfs/dbraw/zinc/67/53/27/1068675327.db2.gz XXOKBFVJESETOL-MRXNPFEDSA-N 1 0 426.543 -1.494 20 0 IAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001618843769 1068677032 /nfs/dbraw/zinc/67/70/32/1068677032.db2.gz KGETUAIHVXAXIT-KBPBESRZSA-N 1 0 429.547 -1.065 20 0 IAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001618843770 1068677055 /nfs/dbraw/zinc/67/70/55/1068677055.db2.gz KGETUAIHVXAXIT-KGLIPLIRSA-N 1 0 429.547 -1.065 20 0 IAADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001618843771 1068677683 /nfs/dbraw/zinc/67/76/83/1068677683.db2.gz KGETUAIHVXAXIT-UONOGXRCSA-N 1 0 429.547 -1.065 20 0 IAADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001618843772 1068677581 /nfs/dbraw/zinc/67/75/81/1068677581.db2.gz KGETUAIHVXAXIT-ZIAGYGMSSA-N 1 0 429.547 -1.065 20 0 IAADRO COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001619543572 1068678218 /nfs/dbraw/zinc/67/82/18/1068678218.db2.gz ACCOQAYEJHYDQX-FQEVSTJZSA-N 1 0 435.529 -1.124 20 0 IAADRO COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001619543573 1068678320 /nfs/dbraw/zinc/67/83/20/1068678320.db2.gz ACCOQAYEJHYDQX-HXUWFJFHSA-N 1 0 435.529 -1.124 20 0 IAADRO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001619551190 1068678259 /nfs/dbraw/zinc/67/82/59/1068678259.db2.gz IOFRDTNWDYNDRU-FQEVSTJZSA-N 1 0 435.529 -1.238 20 0 IAADRO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001619551191 1068678298 /nfs/dbraw/zinc/67/82/98/1068678298.db2.gz IOFRDTNWDYNDRU-HXUWFJFHSA-N 1 0 435.529 -1.238 20 0 IAADRO COCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001619836644 1068679119 /nfs/dbraw/zinc/67/91/19/1068679119.db2.gz KCICXKITGPQPPZ-CABCVRRESA-N 1 0 448.528 -1.656 20 0 IAADRO COCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001619836645 1068679019 /nfs/dbraw/zinc/67/90/19/1068679019.db2.gz KCICXKITGPQPPZ-GJZGRUSLSA-N 1 0 448.528 -1.656 20 0 IAADRO COCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001619836646 1068679079 /nfs/dbraw/zinc/67/90/79/1068679079.db2.gz KCICXKITGPQPPZ-HUUCEWRRSA-N 1 0 448.528 -1.656 20 0 IAADRO COCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001619836647 1068679137 /nfs/dbraw/zinc/67/91/37/1068679137.db2.gz KCICXKITGPQPPZ-LSDHHAIUSA-N 1 0 448.528 -1.656 20 0 IAADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001621669830 1068683422 /nfs/dbraw/zinc/68/34/22/1068683422.db2.gz KPZGAOUSWKNSFU-HNNXBMFYSA-N 1 0 443.613 -1.063 20 0 IAADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001621669831 1068683372 /nfs/dbraw/zinc/68/33/72/1068683372.db2.gz KPZGAOUSWKNSFU-OAHLLOKOSA-N 1 0 443.613 -1.063 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC001622465653 1068684924 /nfs/dbraw/zinc/68/49/24/1068684924.db2.gz VFWPKLPYKDILEZ-CYBMUJFWSA-N 1 0 434.540 -1.058 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC001622465654 1068684898 /nfs/dbraw/zinc/68/48/98/1068684898.db2.gz VFWPKLPYKDILEZ-ZDUSSCGKSA-N 1 0 434.540 -1.058 20 0 IAADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001624750569 1068686887 /nfs/dbraw/zinc/68/68/87/1068686887.db2.gz DYXKUFAZFDTSMM-UHFFFAOYSA-N 1 0 445.929 -1.050 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccccc1N ZINC001626189365 1068663327 /nfs/dbraw/zinc/66/33/27/1068663327.db2.gz QQPIFELQYQWNCS-UHFFFAOYSA-N 1 0 427.527 -1.204 20 0 IAADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001626191802 1068663169 /nfs/dbraw/zinc/66/31/69/1068663169.db2.gz NCQUWPQXQGMNAI-INIZCTEOSA-N 1 0 435.568 -1.242 20 0 IAADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001626191803 1068663288 /nfs/dbraw/zinc/66/32/88/1068663288.db2.gz NCQUWPQXQGMNAI-MRXNPFEDSA-N 1 0 435.568 -1.242 20 0 IAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001626500555 1068688095 /nfs/dbraw/zinc/68/80/95/1068688095.db2.gz VFOVYAWFTJPEPU-UHFFFAOYSA-N 1 0 447.602 -1.267 20 0 IAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001627306845 1068689446 /nfs/dbraw/zinc/68/94/46/1068689446.db2.gz LFBXRUXEHWDQEM-LLVKDONJSA-N 1 0 425.467 -1.180 20 0 IAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001627306846 1068689482 /nfs/dbraw/zinc/68/94/82/1068689482.db2.gz LFBXRUXEHWDQEM-NSHDSACASA-N 1 0 425.467 -1.180 20 0 IAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001627307664 1068689430 /nfs/dbraw/zinc/68/94/30/1068689430.db2.gz WBLKOHXPQIZKGL-CYBMUJFWSA-N 1 0 446.551 -1.053 20 0 IAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001627307665 1068689495 /nfs/dbraw/zinc/68/94/95/1068689495.db2.gz WBLKOHXPQIZKGL-ZDUSSCGKSA-N 1 0 446.551 -1.053 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1=O ZINC001628397693 1068690219 /nfs/dbraw/zinc/69/02/19/1068690219.db2.gz BTWKTERVZUTOJO-UHFFFAOYSA-N 1 0 445.929 -1.050 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1=O ZINC001629141473 1068691538 /nfs/dbraw/zinc/69/15/38/1068691538.db2.gz WEQXYCHRBIWQOY-CYBMUJFWSA-N 1 0 428.515 -1.574 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1=O ZINC001629141474 1068691516 /nfs/dbraw/zinc/69/15/16/1068691516.db2.gz WEQXYCHRBIWQOY-ZDUSSCGKSA-N 1 0 428.515 -1.574 20 0 IAADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001631265070 1068694285 /nfs/dbraw/zinc/69/42/85/1068694285.db2.gz YRHQGJOPWDEZSD-INIZCTEOSA-N 1 0 438.558 -1.077 20 0 IAADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001631265074 1068694356 /nfs/dbraw/zinc/69/43/56/1068694356.db2.gz YRHQGJOPWDEZSD-MRXNPFEDSA-N 1 0 438.558 -1.077 20 0 IAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001632534697 1068694893 /nfs/dbraw/zinc/69/48/93/1068694893.db2.gz FYNRHLKPWAWASW-UHFFFAOYSA-N 1 0 439.538 -1.101 20 0 IAADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001634308503 1068697379 /nfs/dbraw/zinc/69/73/79/1068697379.db2.gz XLDNBEYUAXMMPW-HNNXBMFYSA-N 1 0 426.543 -1.494 20 0 IAADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001634308504 1068697335 /nfs/dbraw/zinc/69/73/35/1068697335.db2.gz XLDNBEYUAXMMPW-OAHLLOKOSA-N 1 0 426.543 -1.494 20 0 IAADRO C[NH+]1CCN(C2CN(C(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001634384409 1068697258 /nfs/dbraw/zinc/69/72/58/1068697258.db2.gz AOWDVMONCGMVKF-UHFFFAOYSA-N 1 0 430.552 -1.173 20 0 IAADRO O=C(CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC[NH+]1CCCCC1 ZINC001636609009 1068700245 /nfs/dbraw/zinc/70/02/45/1068700245.db2.gz FINURBVWYMZGOP-AWEZNQCLSA-N 1 0 427.527 -1.130 20 0 IAADRO O=C(CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NCC[NH+]1CCCCC1 ZINC001636609010 1068700278 /nfs/dbraw/zinc/70/02/78/1068700278.db2.gz FINURBVWYMZGOP-CQSZACIVSA-N 1 0 427.527 -1.130 20 0 IAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001638802812 1068701520 /nfs/dbraw/zinc/70/15/20/1068701520.db2.gz AWZGYGQQZURUFC-AWEZNQCLSA-N 1 0 437.522 -1.001 20 0 IAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001638802818 1068701547 /nfs/dbraw/zinc/70/15/47/1068701547.db2.gz AWZGYGQQZURUFC-CQSZACIVSA-N 1 0 437.522 -1.001 20 0 IAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001639547641 1068701915 /nfs/dbraw/zinc/70/19/15/1068701915.db2.gz HPHCDMKJKPSOFU-UHFFFAOYSA-N 1 0 429.518 -1.124 20 0 IAADRO C[NH+](C)CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1=O ZINC001640708817 1068703041 /nfs/dbraw/zinc/70/30/41/1068703041.db2.gz HZVOWUDAHQXYKB-UHFFFAOYSA-N 1 0 446.551 -1.399 20 0 IAADRO COC(=O)CC1([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCS(=O)(=O)CC1 ZINC001642786333 1068704900 /nfs/dbraw/zinc/70/49/00/1068704900.db2.gz NWHUPQNGKNQWLK-UHFFFAOYSA-N 1 0 439.556 -1.373 20 0 IAADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC001644373329 1068706050 /nfs/dbraw/zinc/70/60/50/1068706050.db2.gz JMNGFIJUQVQQGP-UHFFFAOYSA-N 1 0 445.567 -1.105 20 0 IAADRO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001644982863 1068706552 /nfs/dbraw/zinc/70/65/52/1068706552.db2.gz MMKNIBNVHRAZPP-UHFFFAOYSA-N 1 0 432.543 -1.082 20 0 IAADRO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001646102248 1068707507 /nfs/dbraw/zinc/70/75/07/1068707507.db2.gz WAVJVNLVCUZRLB-HOCLYGCPSA-N 1 0 441.506 -1.424 20 0 IAADRO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001646102249 1068707789 /nfs/dbraw/zinc/70/77/89/1068707789.db2.gz WAVJVNLVCUZRLB-ZBFHGGJFSA-N 1 0 441.506 -1.424 20 0 IAADRO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001647869470 1068707637 /nfs/dbraw/zinc/70/76/37/1068707637.db2.gz RSBAMBAWWKUYTG-IRXDYDNUSA-N 1 0 427.523 -1.144 20 0 IAADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC001649368146 1068708510 /nfs/dbraw/zinc/70/85/10/1068708510.db2.gz NODWQOZQWMIIRI-KRWDZBQOSA-N 1 0 445.586 -1.102 20 0 IAADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC001649368147 1068708931 /nfs/dbraw/zinc/70/89/31/1068708931.db2.gz NODWQOZQWMIIRI-QGZVFWFLSA-N 1 0 445.586 -1.102 20 0 IAADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001653895576 1068711522 /nfs/dbraw/zinc/71/15/22/1068711522.db2.gz GHOHGYHJDPOXDF-PMUMKWKESA-N 1 0 428.511 -1.506 20 0 IAADRO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001653895584 1068711851 /nfs/dbraw/zinc/71/18/51/1068711851.db2.gz GHOHGYHJDPOXDF-SUNYJGFJSA-N 1 0 428.511 -1.506 20 0 IAADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001654514563 1068712139 /nfs/dbraw/zinc/71/21/39/1068712139.db2.gz NQQRYILOLYJUFF-CALCHBBNSA-N 1 0 448.501 -1.074 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)CC1 ZINC001661330108 1068715585 /nfs/dbraw/zinc/71/55/85/1068715585.db2.gz SMRDSPBOZIUUAU-KRWDZBQOSA-N 1 0 435.616 -1.088 20 0 IAADRO C[NH+]1CCC(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)(N2CCOCC2)CC1 ZINC001662506515 1068716777 /nfs/dbraw/zinc/71/67/77/1068716777.db2.gz DVMJMUQNCFPSFH-UHFFFAOYSA-N 1 0 439.604 -1.805 20 0 IAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001663859084 1068717220 /nfs/dbraw/zinc/71/72/20/1068717220.db2.gz HVLGVJUOBLVCPK-INIZCTEOSA-N 1 0 439.604 -1.805 20 0 IAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001663859085 1068717456 /nfs/dbraw/zinc/71/74/56/1068717456.db2.gz HVLGVJUOBLVCPK-MRXNPFEDSA-N 1 0 439.604 -1.805 20 0 IAADRO C[NH+]1CCC(CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001664438305 1068718441 /nfs/dbraw/zinc/71/84/41/1068718441.db2.gz RMOPKZRENUBUPM-INIZCTEOSA-N 1 0 438.616 -1.016 20 0 IAADRO C[NH+]1CCC(CNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001664438306 1068718543 /nfs/dbraw/zinc/71/85/43/1068718543.db2.gz RMOPKZRENUBUPM-MRXNPFEDSA-N 1 0 438.616 -1.016 20 0 IAADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001665658712 1068719247 /nfs/dbraw/zinc/71/92/47/1068719247.db2.gz PNISZAOSZMJMNG-DLBZAZTESA-N 1 0 438.554 -1.006 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001668058902 1068720641 /nfs/dbraw/zinc/72/06/41/1068720641.db2.gz SBMXXDURCPSASV-GOSISDBHSA-N 1 0 446.618 -1.341 20 0 IAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001668058903 1068720735 /nfs/dbraw/zinc/72/07/35/1068720735.db2.gz SBMXXDURCPSASV-SFHVURJKSA-N 1 0 446.618 -1.341 20 0 IAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 ZINC001669216815 1068721244 /nfs/dbraw/zinc/72/12/44/1068721244.db2.gz JZFWMIVQHZCNQH-UHFFFAOYSA-N 1 0 445.633 -1.456 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001670968620 1067960221 /nfs/dbraw/zinc/96/02/21/1067960221.db2.gz AYIKZYVMRXWWLN-CYBMUJFWSA-N 1 0 434.540 -1.209 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001670968621 1067960107 /nfs/dbraw/zinc/96/01/07/1067960107.db2.gz AYIKZYVMRXWWLN-ZDUSSCGKSA-N 1 0 434.540 -1.209 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC001670968810 1067960237 /nfs/dbraw/zinc/96/02/37/1067960237.db2.gz DAKXXNDDCMSXPY-CABCVRRESA-N 1 0 425.573 -1.090 20 0 IAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001670968811 1067960068 /nfs/dbraw/zinc/96/00/68/1067960068.db2.gz DAKXXNDDCMSXPY-GJZGRUSLSA-N 1 0 425.573 -1.090 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1=O ZINC001670968812 1067960020 /nfs/dbraw/zinc/96/00/20/1067960020.db2.gz DAKXXNDDCMSXPY-HUUCEWRRSA-N 1 0 425.573 -1.090 20 0 IAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1=O ZINC001670968813 1067960184 /nfs/dbraw/zinc/96/01/84/1067960184.db2.gz DAKXXNDDCMSXPY-LSDHHAIUSA-N 1 0 425.573 -1.090 20 0 IAADRO CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CC1 ZINC001670968999 1067960128 /nfs/dbraw/zinc/96/01/28/1067960128.db2.gz GMTKDQWCGCPGNN-HNNXBMFYSA-N 1 0 435.547 -1.226 20 0 IAADRO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CC1 ZINC001670969006 1067960088 /nfs/dbraw/zinc/96/00/88/1067960088.db2.gz GMTKDQWCGCPGNN-OAHLLOKOSA-N 1 0 435.547 -1.226 20 0 IAADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001676841872 1068722487 /nfs/dbraw/zinc/72/24/87/1068722487.db2.gz AVTJJOZKDKTZSA-DLBZAZTESA-N 1 0 431.607 -1.560 20 0 IAADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001676841873 1068722667 /nfs/dbraw/zinc/72/26/67/1068722667.db2.gz AVTJJOZKDKTZSA-IAGOWNOFSA-N 1 0 431.607 -1.560 20 0 IAADRO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001676841874 1068722699 /nfs/dbraw/zinc/72/26/99/1068722699.db2.gz AVTJJOZKDKTZSA-IRXDYDNUSA-N 1 0 431.607 -1.560 20 0 IAADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001676841875 1068722356 /nfs/dbraw/zinc/72/23/56/1068722356.db2.gz AVTJJOZKDKTZSA-SJORKVTESA-N 1 0 431.607 -1.560 20 0 IAADRO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001677377104 1068722596 /nfs/dbraw/zinc/72/25/96/1068722596.db2.gz AWWQXJHFYVGLJQ-KRWDZBQOSA-N 1 0 432.591 -1.037 20 0 IAADRO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001677377105 1068722276 /nfs/dbraw/zinc/72/22/76/1068722276.db2.gz AWWQXJHFYVGLJQ-QGZVFWFLSA-N 1 0 432.591 -1.037 20 0 IAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001682713211 1068724112 /nfs/dbraw/zinc/72/41/12/1068724112.db2.gz SWQZUBKNFXCCJR-INIZCTEOSA-N 1 0 445.590 -1.854 20 0 IAADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836248 1068725644 /nfs/dbraw/zinc/72/56/44/1068725644.db2.gz JEJAFTHJVGKPCG-DLBZAZTESA-N 1 0 433.575 -1.257 20 0 IAADRO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836250 1068725510 /nfs/dbraw/zinc/72/55/10/1068725510.db2.gz JEJAFTHJVGKPCG-IAGOWNOFSA-N 1 0 433.575 -1.257 20 0 IAADRO CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836252 1068725756 /nfs/dbraw/zinc/72/57/56/1068725756.db2.gz JEJAFTHJVGKPCG-IRXDYDNUSA-N 1 0 433.575 -1.257 20 0 IAADRO CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836254 1068725588 /nfs/dbraw/zinc/72/55/88/1068725588.db2.gz JEJAFTHJVGKPCG-SJORKVTESA-N 1 0 433.575 -1.257 20 0 IAADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001685805705 1068726100 /nfs/dbraw/zinc/72/61/00/1068726100.db2.gz GBQLZQLVWYOVCP-KRWDZBQOSA-N 1 0 431.607 -1.558 20 0 IAADRO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001685805706 1068726066 /nfs/dbraw/zinc/72/60/66/1068726066.db2.gz GBQLZQLVWYOVCP-QGZVFWFLSA-N 1 0 431.607 -1.558 20 0 IAADRO