smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818212 374400831 /nfs/dbraw/zinc/40/08/31/374400831.db2.gz LMJOTXJTZTWEIU-CQSZACIVSA-N 2 2 349.439 -1.025 20 30 EAEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818212 374400819 /nfs/dbraw/zinc/40/08/19/374400819.db2.gz LMJOTXJTZTWEIU-CQSZACIVSA-N 2 2 349.439 -1.025 20 30 EAEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818300 374401552 /nfs/dbraw/zinc/40/15/52/374401552.db2.gz LMJOTXJTZTWEIU-AWEZNQCLSA-N 2 2 349.439 -1.025 20 30 EAEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818300 374401545 /nfs/dbraw/zinc/40/15/45/374401545.db2.gz LMJOTXJTZTWEIU-AWEZNQCLSA-N 2 2 349.439 -1.025 20 30 EAEDLP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000170912739 669740694 /nfs/dbraw/zinc/74/06/94/669740694.db2.gz VQWIBIKVXPNRRC-UHFFFAOYSA-N 3 2 340.472 -1.223 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000172778334 374810163 /nfs/dbraw/zinc/81/01/63/374810163.db2.gz RXISZMKQDLYTQJ-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000172778334 374810158 /nfs/dbraw/zinc/81/01/58/374810158.db2.gz RXISZMKQDLYTQJ-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000172778334 374810153 /nfs/dbraw/zinc/81/01/53/374810153.db2.gz RXISZMKQDLYTQJ-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000172778334 374810146 /nfs/dbraw/zinc/81/01/46/374810146.db2.gz RXISZMKQDLYTQJ-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000172778344 374811863 /nfs/dbraw/zinc/81/18/63/374811863.db2.gz RXISZMKQDLYTQJ-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000172778344 374811856 /nfs/dbraw/zinc/81/18/56/374811856.db2.gz RXISZMKQDLYTQJ-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000172778344 374811850 /nfs/dbraw/zinc/81/18/50/374811850.db2.gz RXISZMKQDLYTQJ-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000172778344 374811847 /nfs/dbraw/zinc/81/18/47/374811847.db2.gz RXISZMKQDLYTQJ-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000264063528 545674347 /nfs/dbraw/zinc/67/43/47/545674347.db2.gz DKEQVXGIRWTKFB-AWEZNQCLSA-N 2 2 349.439 -1.394 20 30 EAEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000264063532 545674433 /nfs/dbraw/zinc/67/44/33/545674433.db2.gz DKEQVXGIRWTKFB-CQSZACIVSA-N 2 2 349.439 -1.394 20 30 EAEDLP COCC[NH+](CC#CC[N@H+](CCOC)[C@@H](C)C(N)=O)[C@@H](C)C(N)=O ZINC000284161644 374688040 /nfs/dbraw/zinc/68/80/40/374688040.db2.gz QDIMGUYMNUZBDR-KBPBESRZSA-N 2 2 342.440 -1.366 20 30 EAEDLP COCC[NH+](CC#CC[N@@H+](CCOC)[C@@H](C)C(N)=O)[C@@H](C)C(N)=O ZINC000284161644 374688035 /nfs/dbraw/zinc/68/80/35/374688035.db2.gz QDIMGUYMNUZBDR-KBPBESRZSA-N 2 2 342.440 -1.366 20 30 EAEDLP COCC[NH+](CC#CC[N@H+](CCOC)[C@H](C)C(N)=O)[C@H](C)C(N)=O ZINC000284161650 374689088 /nfs/dbraw/zinc/68/90/88/374689088.db2.gz QDIMGUYMNUZBDR-ZIAGYGMSSA-N 2 2 342.440 -1.366 20 30 EAEDLP COCC[NH+](CC#CC[N@@H+](CCOC)[C@H](C)C(N)=O)[C@H](C)C(N)=O ZINC000284161650 374689082 /nfs/dbraw/zinc/68/90/82/374689082.db2.gz QDIMGUYMNUZBDR-ZIAGYGMSSA-N 2 2 342.440 -1.366 20 30 EAEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329357355 374731758 /nfs/dbraw/zinc/73/17/58/374731758.db2.gz HHNNYYIBVYDXCQ-AWEZNQCLSA-N 2 2 340.472 -1.100 20 30 EAEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329357355 374731752 /nfs/dbraw/zinc/73/17/52/374731752.db2.gz HHNNYYIBVYDXCQ-AWEZNQCLSA-N 2 2 340.472 -1.100 20 30 EAEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329357360 374731059 /nfs/dbraw/zinc/73/10/59/374731059.db2.gz HHNNYYIBVYDXCQ-CQSZACIVSA-N 2 2 340.472 -1.100 20 30 EAEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329357360 374731052 /nfs/dbraw/zinc/73/10/52/374731052.db2.gz HHNNYYIBVYDXCQ-CQSZACIVSA-N 2 2 340.472 -1.100 20 30 EAEDLP CNC(=O)N[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911099 374666508 /nfs/dbraw/zinc/66/65/08/374666508.db2.gz SQZOOPIQHHJKPF-KBPBESRZSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911099 374666504 /nfs/dbraw/zinc/66/65/04/374666504.db2.gz SQZOOPIQHHJKPF-KBPBESRZSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667272 /nfs/dbraw/zinc/66/72/72/374667272.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667268 /nfs/dbraw/zinc/66/72/68/374667268.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667263 /nfs/dbraw/zinc/66/72/63/374667263.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667255 /nfs/dbraw/zinc/66/72/55/374667255.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000341911102 374667603 /nfs/dbraw/zinc/66/76/03/374667603.db2.gz SQZOOPIQHHJKPF-ZIAGYGMSSA-N 2 2 336.440 -1.004 20 30 EAEDLP CNC(=O)N[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000341911102 374667598 /nfs/dbraw/zinc/66/75/98/374667598.db2.gz SQZOOPIQHHJKPF-ZIAGYGMSSA-N 2 2 336.440 -1.004 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000490651099 374961267 /nfs/dbraw/zinc/96/12/67/374961267.db2.gz PXNHFVBMGNYXMD-INIZCTEOSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000490651099 374961260 /nfs/dbraw/zinc/96/12/60/374961260.db2.gz PXNHFVBMGNYXMD-INIZCTEOSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000490651104 374961441 /nfs/dbraw/zinc/96/14/41/374961441.db2.gz PXNHFVBMGNYXMD-MRXNPFEDSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000490651104 374961432 /nfs/dbraw/zinc/96/14/32/374961432.db2.gz PXNHFVBMGNYXMD-MRXNPFEDSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000490651149 374961331 /nfs/dbraw/zinc/96/13/31/374961331.db2.gz QJZUEFWUIZQJDO-UHFFFAOYSA-N 2 2 336.436 -1.104 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000490690467 374960805 /nfs/dbraw/zinc/96/08/05/374960805.db2.gz RTJVQPOYPXJUQE-UHFFFAOYSA-N 2 2 349.479 -1.092 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000490690467 374960797 /nfs/dbraw/zinc/96/07/97/374960797.db2.gz RTJVQPOYPXJUQE-UHFFFAOYSA-N 2 2 349.479 -1.092 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000490742029 374960124 /nfs/dbraw/zinc/96/01/24/374960124.db2.gz UWXKKHRTGHHLEZ-UHFFFAOYSA-N 2 2 335.452 -1.530 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000490802792 374408902 /nfs/dbraw/zinc/40/89/02/374408902.db2.gz FUTLRSSWAQGMQR-UHFFFAOYSA-N 2 2 349.479 -1.140 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000490873148 374963435 /nfs/dbraw/zinc/96/34/35/374963435.db2.gz HVUCGEQDPSTNIH-UHFFFAOYSA-N 2 2 347.419 -1.220 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000490891554 374962704 /nfs/dbraw/zinc/96/27/04/374962704.db2.gz GBDPOIDHTYSIDM-UHFFFAOYSA-N 2 2 333.392 -1.562 20 30 EAEDLP C#CCNC(=O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000491147920 374964987 /nfs/dbraw/zinc/96/49/87/374964987.db2.gz TUCJHPTUFAFMGA-UHFFFAOYSA-N 2 2 335.452 -1.483 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000491427606 374967859 /nfs/dbraw/zinc/96/78/59/374967859.db2.gz KWRFMPTUQMNWBJ-AWEZNQCLSA-N 2 2 342.465 -1.236 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000491427606 374967852 /nfs/dbraw/zinc/96/78/52/374967852.db2.gz KWRFMPTUQMNWBJ-AWEZNQCLSA-N 2 2 342.465 -1.236 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000491427607 374967713 /nfs/dbraw/zinc/96/77/13/374967713.db2.gz KWRFMPTUQMNWBJ-CQSZACIVSA-N 2 2 342.465 -1.236 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000491427607 374967709 /nfs/dbraw/zinc/96/77/09/374967709.db2.gz KWRFMPTUQMNWBJ-CQSZACIVSA-N 2 2 342.465 -1.236 20 30 EAEDLP C#CCNc1nc(N2CC[NH+](C)CC2)nc(N2CC[NH+](C)CC2)n1 ZINC000491628713 374968318 /nfs/dbraw/zinc/96/83/18/374968318.db2.gz NTKWDUWORGUKOO-UHFFFAOYSA-N 2 2 330.440 -1.158 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000491665425 374967435 /nfs/dbraw/zinc/96/74/35/374967435.db2.gz RWZXCLCAAFZIEN-HNNXBMFYSA-N 2 2 326.441 -1.708 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000491665425 374967428 /nfs/dbraw/zinc/96/74/28/374967428.db2.gz RWZXCLCAAFZIEN-HNNXBMFYSA-N 2 2 326.441 -1.708 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000491665437 374967288 /nfs/dbraw/zinc/96/72/88/374967288.db2.gz RWZXCLCAAFZIEN-OAHLLOKOSA-N 2 2 326.441 -1.708 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000491665437 374967278 /nfs/dbraw/zinc/96/72/78/374967278.db2.gz RWZXCLCAAFZIEN-OAHLLOKOSA-N 2 2 326.441 -1.708 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000491678434 374969746 /nfs/dbraw/zinc/96/97/46/374969746.db2.gz UCGZIVKVFILUET-HNNXBMFYSA-N 2 2 336.436 -1.200 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000491678434 374969737 /nfs/dbraw/zinc/96/97/37/374969737.db2.gz UCGZIVKVFILUET-HNNXBMFYSA-N 2 2 336.436 -1.200 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000491678435 374970119 /nfs/dbraw/zinc/97/01/19/374970119.db2.gz UCGZIVKVFILUET-OAHLLOKOSA-N 2 2 336.436 -1.200 20 30 EAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000491678435 374970114 /nfs/dbraw/zinc/97/01/14/374970114.db2.gz UCGZIVKVFILUET-OAHLLOKOSA-N 2 2 336.436 -1.200 20 30 EAEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000594820335 374470910 /nfs/dbraw/zinc/47/09/10/374470910.db2.gz BSGXGWNVNPTWHR-CYBMUJFWSA-N 2 2 333.458 -1.071 20 30 EAEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000594820335 374470906 /nfs/dbraw/zinc/47/09/06/374470906.db2.gz BSGXGWNVNPTWHR-CYBMUJFWSA-N 2 2 333.458 -1.071 20 30 EAEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000594820336 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024360799 668638055 /nfs/dbraw/zinc/63/80/55/668638055.db2.gz PRRORTVYNGCJHP-OWCLPIDISA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024360799 668638053 /nfs/dbraw/zinc/63/80/53/668638053.db2.gz PRRORTVYNGCJHP-OWCLPIDISA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001025014324 668736598 /nfs/dbraw/zinc/73/65/98/668736598.db2.gz QZYHHTHIWURKJE-LVQVYYBASA-N 2 2 348.447 -1.134 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001025014324 668736593 /nfs/dbraw/zinc/73/65/93/668736593.db2.gz QZYHHTHIWURKJE-LVQVYYBASA-N 2 2 348.447 -1.134 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001025014324 668736588 /nfs/dbraw/zinc/73/65/88/668736588.db2.gz QZYHHTHIWURKJE-LVQVYYBASA-N 2 2 348.447 -1.134 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001025014324 668736585 /nfs/dbraw/zinc/73/65/85/668736585.db2.gz QZYHHTHIWURKJE-LVQVYYBASA-N 2 2 348.447 -1.134 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031742954 668989559 /nfs/dbraw/zinc/98/95/59/668989559.db2.gz YINRJAXXIYZKIR-AWEZNQCLSA-N 2 2 347.419 -1.316 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031742954 668989557 /nfs/dbraw/zinc/98/95/57/668989557.db2.gz YINRJAXXIYZKIR-AWEZNQCLSA-N 2 2 347.419 -1.316 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042105325 673410694 /nfs/dbraw/zinc/41/06/94/673410694.db2.gz ZILDYHMPROTRDU-CABCVRRESA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042105325 673410692 /nfs/dbraw/zinc/41/06/92/673410692.db2.gz ZILDYHMPROTRDU-CABCVRRESA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042105325 673410689 /nfs/dbraw/zinc/41/06/89/673410689.db2.gz ZILDYHMPROTRDU-CABCVRRESA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042105325 673410686 /nfs/dbraw/zinc/41/06/86/673410686.db2.gz ZILDYHMPROTRDU-CABCVRRESA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042105326 673410947 /nfs/dbraw/zinc/41/09/47/673410947.db2.gz ZILDYHMPROTRDU-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042105326 673410945 /nfs/dbraw/zinc/41/09/45/673410945.db2.gz ZILDYHMPROTRDU-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042105326 673410943 /nfs/dbraw/zinc/41/09/43/673410943.db2.gz ZILDYHMPROTRDU-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042105326 673410942 /nfs/dbraw/zinc/41/09/42/673410942.db2.gz ZILDYHMPROTRDU-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128422 673555772 /nfs/dbraw/zinc/55/57/72/673555772.db2.gz VTAGIQUFTOCFOX-HNNXBMFYSA-N 2 2 348.447 -1.131 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128422 673555770 /nfs/dbraw/zinc/55/57/70/673555770.db2.gz VTAGIQUFTOCFOX-HNNXBMFYSA-N 2 2 348.447 -1.131 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043646418 673634484 /nfs/dbraw/zinc/63/44/84/673634484.db2.gz DFMQKOZFNPFWAX-HNNXBMFYSA-N 2 2 348.447 -1.131 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043646418 673634483 /nfs/dbraw/zinc/63/44/83/673634483.db2.gz DFMQKOZFNPFWAX-HNNXBMFYSA-N 2 2 348.447 -1.131 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001043648520 673634953 /nfs/dbraw/zinc/63/49/53/673634953.db2.gz GCWCOUIHQPOWTA-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001043648520 673634951 /nfs/dbraw/zinc/63/49/51/673634951.db2.gz GCWCOUIHQPOWTA-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043648520 673634949 /nfs/dbraw/zinc/63/49/49/673634949.db2.gz GCWCOUIHQPOWTA-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043648520 673634948 /nfs/dbraw/zinc/63/49/48/673634948.db2.gz GCWCOUIHQPOWTA-GJZGRUSLSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001043648524 673635010 /nfs/dbraw/zinc/63/50/10/673635010.db2.gz GCWCOUIHQPOWTA-LSDHHAIUSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001043648524 673635008 /nfs/dbraw/zinc/63/50/08/673635008.db2.gz GCWCOUIHQPOWTA-LSDHHAIUSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043648524 673635005 /nfs/dbraw/zinc/63/50/05/673635005.db2.gz GCWCOUIHQPOWTA-LSDHHAIUSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043648524 673635003 /nfs/dbraw/zinc/63/50/03/673635003.db2.gz GCWCOUIHQPOWTA-LSDHHAIUSA-N 2 2 348.447 -1.132 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043649016 673634940 /nfs/dbraw/zinc/63/49/40/673634940.db2.gz JERAQWLUJGWHQE-CABCVRRESA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043649016 673634938 /nfs/dbraw/zinc/63/49/38/673634938.db2.gz JERAQWLUJGWHQE-CABCVRRESA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043649016 673634937 /nfs/dbraw/zinc/63/49/37/673634937.db2.gz JERAQWLUJGWHQE-CABCVRRESA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043649016 673634935 /nfs/dbraw/zinc/63/49/35/673634935.db2.gz JERAQWLUJGWHQE-CABCVRRESA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043649017 673635030 /nfs/dbraw/zinc/63/50/30/673635030.db2.gz JERAQWLUJGWHQE-GJZGRUSLSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043649017 673635028 /nfs/dbraw/zinc/63/50/28/673635028.db2.gz JERAQWLUJGWHQE-GJZGRUSLSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043649017 673635027 /nfs/dbraw/zinc/63/50/27/673635027.db2.gz JERAQWLUJGWHQE-GJZGRUSLSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043649017 673635025 /nfs/dbraw/zinc/63/50/25/673635025.db2.gz JERAQWLUJGWHQE-GJZGRUSLSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043649526 673635151 /nfs/dbraw/zinc/63/51/51/673635151.db2.gz NJJJLPSZGTXSTF-AWEZNQCLSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043649526 673635147 /nfs/dbraw/zinc/63/51/47/673635147.db2.gz NJJJLPSZGTXSTF-AWEZNQCLSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046036388 673851526 /nfs/dbraw/zinc/85/15/26/673851526.db2.gz ITAHJSVLLDGQJC-CVEARBPZSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046036388 673851524 /nfs/dbraw/zinc/85/15/24/673851524.db2.gz ITAHJSVLLDGQJC-CVEARBPZSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046036388 673851522 /nfs/dbraw/zinc/85/15/22/673851522.db2.gz ITAHJSVLLDGQJC-CVEARBPZSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046036388 673851520 /nfs/dbraw/zinc/85/15/20/673851520.db2.gz ITAHJSVLLDGQJC-CVEARBPZSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046036389 673851479 /nfs/dbraw/zinc/85/14/79/673851479.db2.gz ITAHJSVLLDGQJC-HOTGVXAUSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(N)=O)C2)CC1 ZINC001046036389 673851477 /nfs/dbraw/zinc/85/14/77/673851477.db2.gz ITAHJSVLLDGQJC-HOTGVXAUSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046036389 673851474 /nfs/dbraw/zinc/85/14/74/673851474.db2.gz ITAHJSVLLDGQJC-HOTGVXAUSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046036389 673851472 /nfs/dbraw/zinc/85/14/72/673851472.db2.gz ITAHJSVLLDGQJC-HOTGVXAUSA-N 2 2 347.463 -1.212 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047415065 673946358 /nfs/dbraw/zinc/94/63/58/673946358.db2.gz FJJBNRFCAHVFIG-JYJNAYRXSA-N 2 2 346.435 -1.121 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047415065 673946355 /nfs/dbraw/zinc/94/63/55/673946355.db2.gz FJJBNRFCAHVFIG-JYJNAYRXSA-N 2 2 346.435 -1.121 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047415065 673946353 /nfs/dbraw/zinc/94/63/53/673946353.db2.gz FJJBNRFCAHVFIG-JYJNAYRXSA-N 2 2 346.435 -1.121 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047415065 673946350 /nfs/dbraw/zinc/94/63/50/673946350.db2.gz FJJBNRFCAHVFIG-JYJNAYRXSA-N 2 2 346.435 -1.121 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001047638200 673975342 /nfs/dbraw/zinc/97/53/42/673975342.db2.gz GPHQPYXVUMZKDX-JYJNAYRXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001047638200 673975340 /nfs/dbraw/zinc/97/53/40/673975340.db2.gz GPHQPYXVUMZKDX-JYJNAYRXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001047638201 673975409 /nfs/dbraw/zinc/97/54/09/673975409.db2.gz GPHQPYXVUMZKDX-PMPSAXMXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001047638201 673975407 /nfs/dbraw/zinc/97/54/07/673975407.db2.gz GPHQPYXVUMZKDX-PMPSAXMXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001047638250 673975422 /nfs/dbraw/zinc/97/54/22/673975422.db2.gz IWDCMKVUWOJYSR-GJZGRUSLSA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001047638250 673975420 /nfs/dbraw/zinc/97/54/20/673975420.db2.gz IWDCMKVUWOJYSR-GJZGRUSLSA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001047638554 673975349 /nfs/dbraw/zinc/97/53/49/673975349.db2.gz YBCFWFUVYKYSMY-QEJZJMRPSA-N 2 2 336.436 -1.291 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001047638554 673975348 /nfs/dbraw/zinc/97/53/48/673975348.db2.gz YBCFWFUVYKYSMY-QEJZJMRPSA-N 2 2 336.436 -1.291 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001047638555 673975363 /nfs/dbraw/zinc/97/53/63/673975363.db2.gz YBCFWFUVYKYSMY-SNPRPXQTSA-N 2 2 336.436 -1.291 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2O)CC1 ZINC001047638555 673975361 /nfs/dbraw/zinc/97/53/61/673975361.db2.gz YBCFWFUVYKYSMY-SNPRPXQTSA-N 2 2 336.436 -1.291 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051659810 672821042 /nfs/dbraw/zinc/82/10/42/672821042.db2.gz CSENJGGGKFBSBX-KBPBESRZSA-N 2 2 347.423 -1.375 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051659810 672821040 /nfs/dbraw/zinc/82/10/40/672821040.db2.gz CSENJGGGKFBSBX-KBPBESRZSA-N 2 2 347.423 -1.375 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051659811 672820856 /nfs/dbraw/zinc/82/08/56/672820856.db2.gz CSENJGGGKFBSBX-KGLIPLIRSA-N 2 2 347.423 -1.375 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051659811 672820853 /nfs/dbraw/zinc/82/08/53/672820853.db2.gz CSENJGGGKFBSBX-KGLIPLIRSA-N 2 2 347.423 -1.375 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055595418 674199980 /nfs/dbraw/zinc/19/99/80/674199980.db2.gz VRENKUOHRNAGMF-AWEZNQCLSA-N 2 2 349.435 -1.734 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055595418 674199977 /nfs/dbraw/zinc/19/99/77/674199977.db2.gz VRENKUOHRNAGMF-AWEZNQCLSA-N 2 2 349.435 -1.734 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055630289 674205878 /nfs/dbraw/zinc/20/58/78/674205878.db2.gz YTKCGSXXHYUTCT-AWEZNQCLSA-N 2 2 349.435 -1.734 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055630289 674205875 /nfs/dbraw/zinc/20/58/75/674205875.db2.gz YTKCGSXXHYUTCT-AWEZNQCLSA-N 2 2 349.435 -1.734 20 30 EAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905706 673153261 /nfs/dbraw/zinc/15/32/61/673153261.db2.gz LOQASWSMDWWRGK-ILXRZTDVSA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905706 673153257 /nfs/dbraw/zinc/15/32/57/673153257.db2.gz LOQASWSMDWWRGK-ILXRZTDVSA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905706 673153255 /nfs/dbraw/zinc/15/32/55/673153255.db2.gz LOQASWSMDWWRGK-ILXRZTDVSA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905706 673153252 /nfs/dbraw/zinc/15/32/52/673153252.db2.gz LOQASWSMDWWRGK-ILXRZTDVSA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905707 673153359 /nfs/dbraw/zinc/15/33/59/673153359.db2.gz LOQASWSMDWWRGK-QLFBSQMISA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905707 673153356 /nfs/dbraw/zinc/15/33/56/673153356.db2.gz LOQASWSMDWWRGK-QLFBSQMISA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905707 673153354 /nfs/dbraw/zinc/15/33/54/673153354.db2.gz LOQASWSMDWWRGK-QLFBSQMISA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905707 673153351 /nfs/dbraw/zinc/15/33/51/673153351.db2.gz LOQASWSMDWWRGK-QLFBSQMISA-N 2 2 332.408 -1.027 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070211622 671899045 /nfs/dbraw/zinc/89/90/45/671899045.db2.gz RLFRSYZFKYOIBH-RDBSUJKOSA-N 2 2 345.407 -1.798 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070211622 671899043 /nfs/dbraw/zinc/89/90/43/671899043.db2.gz RLFRSYZFKYOIBH-RDBSUJKOSA-N 2 2 345.407 -1.798 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227002 685714750 /nfs/dbraw/zinc/71/47/50/685714750.db2.gz DTPDWRLOHXZIIW-BZUAXINKSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227002 685714748 /nfs/dbraw/zinc/71/47/48/685714748.db2.gz DTPDWRLOHXZIIW-BZUAXINKSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227003 685714677 /nfs/dbraw/zinc/71/46/77/685714677.db2.gz DTPDWRLOHXZIIW-OWCLPIDISA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227003 685714675 /nfs/dbraw/zinc/71/46/75/685714675.db2.gz DTPDWRLOHXZIIW-OWCLPIDISA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227057 685714927 /nfs/dbraw/zinc/71/49/27/685714927.db2.gz HFGPIOKTJZHCKQ-BZUAXINKSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227057 685714925 /nfs/dbraw/zinc/71/49/25/685714925.db2.gz HFGPIOKTJZHCKQ-BZUAXINKSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227058 685714724 /nfs/dbraw/zinc/71/47/24/685714724.db2.gz HFGPIOKTJZHCKQ-OWCLPIDISA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227058 685714721 /nfs/dbraw/zinc/71/47/21/685714721.db2.gz HFGPIOKTJZHCKQ-OWCLPIDISA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001078227295 685714395 /nfs/dbraw/zinc/71/43/95/685714395.db2.gz TXAKFDLFLUWSRN-HUUCEWRRSA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001078227295 685714391 /nfs/dbraw/zinc/71/43/91/685714391.db2.gz TXAKFDLFLUWSRN-HUUCEWRRSA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227296 685714824 /nfs/dbraw/zinc/71/48/24/685714824.db2.gz TXTUTXYGOCOXIF-BPLDGKMQSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227296 685714820 /nfs/dbraw/zinc/71/48/20/685714820.db2.gz TXTUTXYGOCOXIF-BPLDGKMQSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227297 685715012 /nfs/dbraw/zinc/71/50/12/685715012.db2.gz TXTUTXYGOCOXIF-NWANDNLSSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227297 685715009 /nfs/dbraw/zinc/71/50/09/685715009.db2.gz TXTUTXYGOCOXIF-NWANDNLSSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227332 685714322 /nfs/dbraw/zinc/71/43/22/685714322.db2.gz VKQUUFZNRFNNCO-QLFBSQMISA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227332 685714316 /nfs/dbraw/zinc/71/43/16/685714316.db2.gz VKQUUFZNRFNNCO-QLFBSQMISA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227333 685714705 /nfs/dbraw/zinc/71/47/05/685714705.db2.gz VKQUUFZNRFNNCO-RBSFLKMASA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227333 685714701 /nfs/dbraw/zinc/71/47/01/685714701.db2.gz VKQUUFZNRFNNCO-RBSFLKMASA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228253 685714946 /nfs/dbraw/zinc/71/49/46/685714946.db2.gz JMNFTDRIGQTYGS-QLFBSQMISA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228253 685714943 /nfs/dbraw/zinc/71/49/43/685714943.db2.gz JMNFTDRIGQTYGS-QLFBSQMISA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228254 685714960 /nfs/dbraw/zinc/71/49/60/685714960.db2.gz JMNFTDRIGQTYGS-RBSFLKMASA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228254 685714957 /nfs/dbraw/zinc/71/49/57/685714957.db2.gz JMNFTDRIGQTYGS-RBSFLKMASA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001078228305 685714620 /nfs/dbraw/zinc/71/46/20/685714620.db2.gz LMTITQXZRDHQMF-HZPDHXFCSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001078228305 685714615 /nfs/dbraw/zinc/71/46/15/685714615.db2.gz LMTITQXZRDHQMF-HZPDHXFCSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001084089479 686333049 /nfs/dbraw/zinc/33/30/49/686333049.db2.gz LMTITQXZRDHQMF-CVEARBPZSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001084089479 686333042 /nfs/dbraw/zinc/33/30/42/686333042.db2.gz LMTITQXZRDHQMF-CVEARBPZSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001084089981 686333424 /nfs/dbraw/zinc/33/34/24/686333424.db2.gz DTPDWRLOHXZIIW-OAGGEKHMSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001084089981 686333418 /nfs/dbraw/zinc/33/34/18/686333418.db2.gz DTPDWRLOHXZIIW-OAGGEKHMSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001084089982 686333172 /nfs/dbraw/zinc/33/31/72/686333172.db2.gz DTPDWRLOHXZIIW-PMPSAXMXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001084089982 686333165 /nfs/dbraw/zinc/33/31/65/686333165.db2.gz DTPDWRLOHXZIIW-PMPSAXMXSA-N 2 2 348.447 -1.276 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090034 686333505 /nfs/dbraw/zinc/33/35/05/686333505.db2.gz HFGPIOKTJZHCKQ-OAGGEKHMSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090034 686333498 /nfs/dbraw/zinc/33/34/98/686333498.db2.gz HFGPIOKTJZHCKQ-OAGGEKHMSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090035 686333398 /nfs/dbraw/zinc/33/33/98/686333398.db2.gz HFGPIOKTJZHCKQ-PMPSAXMXSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090035 686333391 /nfs/dbraw/zinc/33/33/91/686333391.db2.gz HFGPIOKTJZHCKQ-PMPSAXMXSA-N 2 2 348.447 -1.229 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090093 686332927 /nfs/dbraw/zinc/33/29/27/686332927.db2.gz JMNFTDRIGQTYGS-ILXRZTDVSA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090093 686332919 /nfs/dbraw/zinc/33/29/19/686332919.db2.gz JMNFTDRIGQTYGS-ILXRZTDVSA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090094 686333534 /nfs/dbraw/zinc/33/35/34/686333534.db2.gz JMNFTDRIGQTYGS-KFWWJZLASA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090094 686333527 /nfs/dbraw/zinc/33/35/27/686333527.db2.gz JMNFTDRIGQTYGS-KFWWJZLASA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)CC1 ZINC001084090297 686333369 /nfs/dbraw/zinc/33/33/69/686333369.db2.gz TXAKFDLFLUWSRN-CABCVRRESA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)CC1 ZINC001084090297 686333361 /nfs/dbraw/zinc/33/33/61/686333361.db2.gz TXAKFDLFLUWSRN-CABCVRRESA-N 2 2 336.436 -1.419 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2O)CC1 ZINC001084090298 686332720 /nfs/dbraw/zinc/33/27/20/686332720.db2.gz TXTUTXYGOCOXIF-CFVMTHIKSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]2O)CC1 ZINC001084090298 686332713 /nfs/dbraw/zinc/33/27/13/686332713.db2.gz TXTUTXYGOCOXIF-CFVMTHIKSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2O)CC1 ZINC001084090299 686332794 /nfs/dbraw/zinc/33/27/94/686332794.db2.gz TXTUTXYGOCOXIF-YUELXQCFSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@@H]2O)CC1 ZINC001084090299 686332792 /nfs/dbraw/zinc/33/27/92/686332792.db2.gz TXTUTXYGOCOXIF-YUELXQCFSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)CC1 ZINC001084090343 686332994 /nfs/dbraw/zinc/33/29/94/686332994.db2.gz VKQUUFZNRFNNCO-ILXRZTDVSA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)CC1 ZINC001084090343 686332986 /nfs/dbraw/zinc/33/29/86/686332986.db2.gz VKQUUFZNRFNNCO-ILXRZTDVSA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2O)CC1 ZINC001084090344 686334309 /nfs/dbraw/zinc/33/43/09/686334309.db2.gz VKQUUFZNRFNNCO-KFWWJZLASA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2O)CC1 ZINC001084090344 686334300 /nfs/dbraw/zinc/33/43/00/686334300.db2.gz VKQUUFZNRFNNCO-KFWWJZLASA-N 2 2 336.436 -1.243 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001090829434 787436565 /nfs/dbraw/zinc/43/65/65/787436565.db2.gz BDRGTNSTARZANG-CABCVRRESA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001090829434 787436559 /nfs/dbraw/zinc/43/65/59/787436559.db2.gz BDRGTNSTARZANG-CABCVRRESA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001090829435 787437176 /nfs/dbraw/zinc/43/71/76/787437176.db2.gz BDRGTNSTARZANG-GJZGRUSLSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC001090829435 787437173 /nfs/dbraw/zinc/43/71/73/787437173.db2.gz BDRGTNSTARZANG-GJZGRUSLSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC001090829436 787437233 /nfs/dbraw/zinc/43/72/33/787437233.db2.gz BDRGTNSTARZANG-HUUCEWRRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC001090829436 787437225 /nfs/dbraw/zinc/43/72/25/787437225.db2.gz BDRGTNSTARZANG-HUUCEWRRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC001090829437 787437461 /nfs/dbraw/zinc/43/74/61/787437461.db2.gz BDRGTNSTARZANG-LSDHHAIUSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC001090829437 787437454 /nfs/dbraw/zinc/43/74/54/787437454.db2.gz BDRGTNSTARZANG-LSDHHAIUSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001094819854 787800856 /nfs/dbraw/zinc/80/08/56/787800856.db2.gz YTVWOLAIKDIAHZ-HNNXBMFYSA-N 2 2 348.447 -1.275 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001094819855 787801389 /nfs/dbraw/zinc/80/13/89/787801389.db2.gz YTVWOLAIKDIAHZ-OAHLLOKOSA-N 2 2 348.447 -1.275 20 30 EAEDLP N#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488035 792040683 /nfs/dbraw/zinc/04/06/83/792040683.db2.gz BMHGNDOSKFAXTA-UHFFFAOYSA-N 2 2 348.407 -1.123 20 30 EAEDLP N#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488035 792040674 /nfs/dbraw/zinc/04/06/74/792040674.db2.gz BMHGNDOSKFAXTA-UHFFFAOYSA-N 2 2 348.407 -1.123 20 30 EAEDLP C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488208 787284144 /nfs/dbraw/zinc/28/41/44/787284144.db2.gz LRMXKPAHCLXYON-UHFFFAOYSA-N 2 2 347.419 -1.013 20 30 EAEDLP C#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488208 787284138 /nfs/dbraw/zinc/28/41/38/787284138.db2.gz LRMXKPAHCLXYON-UHFFFAOYSA-N 2 2 347.419 -1.013 20 30 EAEDLP C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581762 785232068 /nfs/dbraw/zinc/23/20/68/785232068.db2.gz BHDZBPHYMOSDMS-UHFFFAOYSA-N 2 2 347.419 -1.082 20 30 EAEDLP C#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581762 785232061 /nfs/dbraw/zinc/23/20/61/785232061.db2.gz BHDZBPHYMOSDMS-UHFFFAOYSA-N 2 2 347.419 -1.082 20 30 EAEDLP N#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098582020 792042415 /nfs/dbraw/zinc/04/24/15/792042415.db2.gz JKHILUZFTQWBGD-UHFFFAOYSA-N 2 2 348.407 -1.192 20 30 EAEDLP N#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098582020 792042403 /nfs/dbraw/zinc/04/24/03/792042403.db2.gz JKHILUZFTQWBGD-UHFFFAOYSA-N 2 2 348.407 -1.192 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871208 792214867 /nfs/dbraw/zinc/21/48/67/792214867.db2.gz AMZKCYJRTKIJPR-KBPBESRZSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871208 792214861 /nfs/dbraw/zinc/21/48/61/792214861.db2.gz AMZKCYJRTKIJPR-KBPBESRZSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871209 792214411 /nfs/dbraw/zinc/21/44/11/792214411.db2.gz AMZKCYJRTKIJPR-KGLIPLIRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871209 792214405 /nfs/dbraw/zinc/21/44/05/792214405.db2.gz AMZKCYJRTKIJPR-KGLIPLIRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871210 792213869 /nfs/dbraw/zinc/21/38/69/792213869.db2.gz AMZKCYJRTKIJPR-UONOGXRCSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871210 792213859 /nfs/dbraw/zinc/21/38/59/792213859.db2.gz AMZKCYJRTKIJPR-UONOGXRCSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871211 792212829 /nfs/dbraw/zinc/21/28/29/792212829.db2.gz AMZKCYJRTKIJPR-ZIAGYGMSSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871211 792212816 /nfs/dbraw/zinc/21/28/16/792212816.db2.gz AMZKCYJRTKIJPR-ZIAGYGMSSA-N 2 2 336.436 -1.229 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CCC1 ZINC001099871272 792213758 /nfs/dbraw/zinc/21/37/58/792213758.db2.gz BIIBQKYTZQLHEP-CHWSQXEVSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CCC1 ZINC001099871272 792213749 /nfs/dbraw/zinc/21/37/49/792213749.db2.gz BIIBQKYTZQLHEP-CHWSQXEVSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CCC1 ZINC001099871273 792213720 /nfs/dbraw/zinc/21/37/20/792213720.db2.gz BIIBQKYTZQLHEP-OLZOCXBDSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CCC1 ZINC001099871273 792213710 /nfs/dbraw/zinc/21/37/10/792213710.db2.gz BIIBQKYTZQLHEP-OLZOCXBDSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CCC1 ZINC001099871274 792213393 /nfs/dbraw/zinc/21/33/93/792213393.db2.gz BIIBQKYTZQLHEP-QWHCGFSZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CCC1 ZINC001099871274 792213389 /nfs/dbraw/zinc/21/33/89/792213389.db2.gz BIIBQKYTZQLHEP-QWHCGFSZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CCC1 ZINC001099871275 792213186 /nfs/dbraw/zinc/21/31/86/792213186.db2.gz BIIBQKYTZQLHEP-STQMWFEESA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CCC1 ZINC001099871275 792213181 /nfs/dbraw/zinc/21/31/81/792213181.db2.gz BIIBQKYTZQLHEP-STQMWFEESA-N 2 2 337.424 -1.338 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879360 792215355 /nfs/dbraw/zinc/21/53/55/792215355.db2.gz IZYCUIXBSBNXLN-CABCVRRESA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879360 792215350 /nfs/dbraw/zinc/21/53/50/792215350.db2.gz IZYCUIXBSBNXLN-CABCVRRESA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879360 792215345 /nfs/dbraw/zinc/21/53/45/792215345.db2.gz IZYCUIXBSBNXLN-CABCVRRESA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879360 792215339 /nfs/dbraw/zinc/21/53/39/792215339.db2.gz IZYCUIXBSBNXLN-CABCVRRESA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879361 792217382 /nfs/dbraw/zinc/21/73/82/792217382.db2.gz IZYCUIXBSBNXLN-GJZGRUSLSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879361 792217381 /nfs/dbraw/zinc/21/73/81/792217381.db2.gz IZYCUIXBSBNXLN-GJZGRUSLSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879361 792217378 /nfs/dbraw/zinc/21/73/78/792217378.db2.gz IZYCUIXBSBNXLN-GJZGRUSLSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879361 792217376 /nfs/dbraw/zinc/21/73/76/792217376.db2.gz IZYCUIXBSBNXLN-GJZGRUSLSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879362 792215480 /nfs/dbraw/zinc/21/54/80/792215480.db2.gz IZYCUIXBSBNXLN-HUUCEWRRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879362 792215471 /nfs/dbraw/zinc/21/54/71/792215471.db2.gz IZYCUIXBSBNXLN-HUUCEWRRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879362 792215463 /nfs/dbraw/zinc/21/54/63/792215463.db2.gz IZYCUIXBSBNXLN-HUUCEWRRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879362 792215456 /nfs/dbraw/zinc/21/54/56/792215456.db2.gz IZYCUIXBSBNXLN-HUUCEWRRSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879363 792216846 /nfs/dbraw/zinc/21/68/46/792216846.db2.gz IZYCUIXBSBNXLN-LSDHHAIUSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879363 792216840 /nfs/dbraw/zinc/21/68/40/792216840.db2.gz IZYCUIXBSBNXLN-LSDHHAIUSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879363 792216834 /nfs/dbraw/zinc/21/68/34/792216834.db2.gz IZYCUIXBSBNXLN-LSDHHAIUSA-N 2 2 336.436 -1.229 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879363 792216824 /nfs/dbraw/zinc/21/68/24/792216824.db2.gz IZYCUIXBSBNXLN-LSDHHAIUSA-N 2 2 336.436 -1.229 20 30 EAEDLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879552 792216038 /nfs/dbraw/zinc/21/60/38/792216038.db2.gz LUKHSHWXRXOHFA-KBPBESRZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879552 792216031 /nfs/dbraw/zinc/21/60/31/792216031.db2.gz LUKHSHWXRXOHFA-KBPBESRZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879552 792216024 /nfs/dbraw/zinc/21/60/24/792216024.db2.gz LUKHSHWXRXOHFA-KBPBESRZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879552 792216015 /nfs/dbraw/zinc/21/60/15/792216015.db2.gz LUKHSHWXRXOHFA-KBPBESRZSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879553 792216472 /nfs/dbraw/zinc/21/64/72/792216472.db2.gz LUKHSHWXRXOHFA-KGLIPLIRSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879553 792216468 /nfs/dbraw/zinc/21/64/68/792216468.db2.gz LUKHSHWXRXOHFA-KGLIPLIRSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879553 792216466 /nfs/dbraw/zinc/21/64/66/792216466.db2.gz LUKHSHWXRXOHFA-KGLIPLIRSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O)C1CCC1 ZINC001099879553 792216462 /nfs/dbraw/zinc/21/64/62/792216462.db2.gz LUKHSHWXRXOHFA-KGLIPLIRSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879554 792215263 /nfs/dbraw/zinc/21/52/63/792215263.db2.gz LUKHSHWXRXOHFA-UONOGXRCSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879554 792215255 /nfs/dbraw/zinc/21/52/55/792215255.db2.gz LUKHSHWXRXOHFA-UONOGXRCSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879554 792215250 /nfs/dbraw/zinc/21/52/50/792215250.db2.gz LUKHSHWXRXOHFA-UONOGXRCSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879554 792215245 /nfs/dbraw/zinc/21/52/45/792215245.db2.gz LUKHSHWXRXOHFA-UONOGXRCSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879555 792216365 /nfs/dbraw/zinc/21/63/65/792216365.db2.gz LUKHSHWXRXOHFA-ZIAGYGMSSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879555 792216361 /nfs/dbraw/zinc/21/63/61/792216361.db2.gz LUKHSHWXRXOHFA-ZIAGYGMSSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879555 792216354 /nfs/dbraw/zinc/21/63/54/792216354.db2.gz LUKHSHWXRXOHFA-ZIAGYGMSSA-N 2 2 337.424 -1.338 20 30 EAEDLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O)C1CCC1 ZINC001099879555 792216351 /nfs/dbraw/zinc/21/63/51/792216351.db2.gz LUKHSHWXRXOHFA-ZIAGYGMSSA-N 2 2 337.424 -1.338 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099898473 792233277 /nfs/dbraw/zinc/23/32/77/792233277.db2.gz BZYJXFBWTYRQTO-CHWSQXEVSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099898473 792233274 /nfs/dbraw/zinc/23/32/74/792233274.db2.gz BZYJXFBWTYRQTO-CHWSQXEVSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001099898473 792233268 /nfs/dbraw/zinc/23/32/68/792233268.db2.gz BZYJXFBWTYRQTO-CHWSQXEVSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001099898473 792233260 /nfs/dbraw/zinc/23/32/60/792233260.db2.gz BZYJXFBWTYRQTO-CHWSQXEVSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898474 792233353 /nfs/dbraw/zinc/23/33/53/792233353.db2.gz BZYJXFBWTYRQTO-OLZOCXBDSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898474 792233344 /nfs/dbraw/zinc/23/33/44/792233344.db2.gz BZYJXFBWTYRQTO-OLZOCXBDSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898474 792233331 /nfs/dbraw/zinc/23/33/31/792233331.db2.gz BZYJXFBWTYRQTO-OLZOCXBDSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898474 792233319 /nfs/dbraw/zinc/23/33/19/792233319.db2.gz BZYJXFBWTYRQTO-OLZOCXBDSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099898475 792232082 /nfs/dbraw/zinc/23/20/82/792232082.db2.gz BZYJXFBWTYRQTO-QWHCGFSZSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099898475 792232074 /nfs/dbraw/zinc/23/20/74/792232074.db2.gz BZYJXFBWTYRQTO-QWHCGFSZSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001099898475 792232066 /nfs/dbraw/zinc/23/20/66/792232066.db2.gz BZYJXFBWTYRQTO-QWHCGFSZSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001099898475 792232056 /nfs/dbraw/zinc/23/20/56/792232056.db2.gz BZYJXFBWTYRQTO-QWHCGFSZSA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898476 792232141 /nfs/dbraw/zinc/23/21/41/792232141.db2.gz BZYJXFBWTYRQTO-STQMWFEESA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898476 792232131 /nfs/dbraw/zinc/23/21/31/792232131.db2.gz BZYJXFBWTYRQTO-STQMWFEESA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898476 792232123 /nfs/dbraw/zinc/23/21/23/792232123.db2.gz BZYJXFBWTYRQTO-STQMWFEESA-N 2 2 339.440 -1.092 20 30 EAEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001099898476 792232115 /nfs/dbraw/zinc/23/21/15/792232115.db2.gz BZYJXFBWTYRQTO-STQMWFEESA-N 2 2 339.440 -1.092 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904261 792243370 /nfs/dbraw/zinc/24/33/70/792243370.db2.gz SHKJDHHTDOHZQF-KBPBESRZSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904261 792243362 /nfs/dbraw/zinc/24/33/62/792243362.db2.gz SHKJDHHTDOHZQF-KBPBESRZSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904262 792243496 /nfs/dbraw/zinc/24/34/96/792243496.db2.gz SHKJDHHTDOHZQF-KGLIPLIRSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904262 792243487 /nfs/dbraw/zinc/24/34/87/792243487.db2.gz SHKJDHHTDOHZQF-KGLIPLIRSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904263 792242449 /nfs/dbraw/zinc/24/24/49/792242449.db2.gz SHKJDHHTDOHZQF-UONOGXRCSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904263 792242440 /nfs/dbraw/zinc/24/24/40/792242440.db2.gz SHKJDHHTDOHZQF-UONOGXRCSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904264 792242381 /nfs/dbraw/zinc/24/23/81/792242381.db2.gz SHKJDHHTDOHZQF-ZIAGYGMSSA-N 2 2 349.435 -1.194 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904264 792242371 /nfs/dbraw/zinc/24/23/71/792242371.db2.gz SHKJDHHTDOHZQF-ZIAGYGMSSA-N 2 2 349.435 -1.194 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904293 792242200 /nfs/dbraw/zinc/24/22/00/792242200.db2.gz STGLMXMCLMKIRM-CABCVRRESA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904293 792242194 /nfs/dbraw/zinc/24/21/94/792242194.db2.gz STGLMXMCLMKIRM-CABCVRRESA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904294 792242649 /nfs/dbraw/zinc/24/26/49/792242649.db2.gz STGLMXMCLMKIRM-GJZGRUSLSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099904294 792242638 /nfs/dbraw/zinc/24/26/38/792242638.db2.gz STGLMXMCLMKIRM-GJZGRUSLSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904295 792243652 /nfs/dbraw/zinc/24/36/52/792243652.db2.gz STGLMXMCLMKIRM-HUUCEWRRSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904295 792243645 /nfs/dbraw/zinc/24/36/45/792243645.db2.gz STGLMXMCLMKIRM-HUUCEWRRSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904296 792242596 /nfs/dbraw/zinc/24/25/96/792242596.db2.gz STGLMXMCLMKIRM-LSDHHAIUSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099904296 792242585 /nfs/dbraw/zinc/24/25/85/792242585.db2.gz STGLMXMCLMKIRM-LSDHHAIUSA-N 2 2 348.447 -1.084 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099917149 792248111 /nfs/dbraw/zinc/24/81/11/792248111.db2.gz ZMMRPCIJUUMMGB-KBPBESRZSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099917149 792248107 /nfs/dbraw/zinc/24/81/07/792248107.db2.gz ZMMRPCIJUUMMGB-KBPBESRZSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099917150 792248148 /nfs/dbraw/zinc/24/81/48/792248148.db2.gz ZMMRPCIJUUMMGB-KGLIPLIRSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099917150 792248139 /nfs/dbraw/zinc/24/81/39/792248139.db2.gz ZMMRPCIJUUMMGB-KGLIPLIRSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099917151 792248922 /nfs/dbraw/zinc/24/89/22/792248922.db2.gz ZMMRPCIJUUMMGB-UONOGXRCSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099917151 792248915 /nfs/dbraw/zinc/24/89/15/792248915.db2.gz ZMMRPCIJUUMMGB-UONOGXRCSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099917152 792248799 /nfs/dbraw/zinc/24/87/99/792248799.db2.gz ZMMRPCIJUUMMGB-ZIAGYGMSSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099917152 792248791 /nfs/dbraw/zinc/24/87/91/792248791.db2.gz ZMMRPCIJUUMMGB-ZIAGYGMSSA-N 2 2 333.392 -1.508 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099969856 792271310 /nfs/dbraw/zinc/27/13/10/792271310.db2.gz NJZFNYQUVWDNGJ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099969856 792271302 /nfs/dbraw/zinc/27/13/02/792271302.db2.gz NJZFNYQUVWDNGJ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099969857 792270927 /nfs/dbraw/zinc/27/09/27/792270927.db2.gz NJZFNYQUVWDNGJ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099969857 792270923 /nfs/dbraw/zinc/27/09/23/792270923.db2.gz NJZFNYQUVWDNGJ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099969858 792271258 /nfs/dbraw/zinc/27/12/58/792271258.db2.gz NJZFNYQUVWDNGJ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099969858 792271251 /nfs/dbraw/zinc/27/12/51/792271251.db2.gz NJZFNYQUVWDNGJ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099969859 792271494 /nfs/dbraw/zinc/27/14/94/792271494.db2.gz NJZFNYQUVWDNGJ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099969859 792271488 /nfs/dbraw/zinc/27/14/88/792271488.db2.gz NJZFNYQUVWDNGJ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972003 792270675 /nfs/dbraw/zinc/27/06/75/792270675.db2.gz PMGHDIKWBCOGSN-CHWSQXEVSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972003 792270666 /nfs/dbraw/zinc/27/06/66/792270666.db2.gz PMGHDIKWBCOGSN-CHWSQXEVSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972004 792272262 /nfs/dbraw/zinc/27/22/62/792272262.db2.gz PMGHDIKWBCOGSN-OLZOCXBDSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972004 792272253 /nfs/dbraw/zinc/27/22/53/792272253.db2.gz PMGHDIKWBCOGSN-OLZOCXBDSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972005 792270695 /nfs/dbraw/zinc/27/06/95/792270695.db2.gz PMGHDIKWBCOGSN-QWHCGFSZSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972005 792270690 /nfs/dbraw/zinc/27/06/90/792270690.db2.gz PMGHDIKWBCOGSN-QWHCGFSZSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972006 792271578 /nfs/dbraw/zinc/27/15/78/792271578.db2.gz PMGHDIKWBCOGSN-STQMWFEESA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972006 792271567 /nfs/dbraw/zinc/27/15/67/792271567.db2.gz PMGHDIKWBCOGSN-STQMWFEESA-N 2 2 337.424 -1.481 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972527 792273045 /nfs/dbraw/zinc/27/30/45/792273045.db2.gz YGNPJCNIYGYCSQ-KBPBESRZSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972527 792273041 /nfs/dbraw/zinc/27/30/41/792273041.db2.gz YGNPJCNIYGYCSQ-KBPBESRZSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972528 792273007 /nfs/dbraw/zinc/27/30/07/792273007.db2.gz YGNPJCNIYGYCSQ-KGLIPLIRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972528 792273002 /nfs/dbraw/zinc/27/30/02/792273002.db2.gz YGNPJCNIYGYCSQ-KGLIPLIRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972529 792273208 /nfs/dbraw/zinc/27/32/08/792273208.db2.gz YGNPJCNIYGYCSQ-UONOGXRCSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972529 792273200 /nfs/dbraw/zinc/27/32/00/792273200.db2.gz YGNPJCNIYGYCSQ-UONOGXRCSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972530 792274568 /nfs/dbraw/zinc/27/45/68/792274568.db2.gz YGNPJCNIYGYCSQ-ZIAGYGMSSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972530 792274559 /nfs/dbraw/zinc/27/45/59/792274559.db2.gz YGNPJCNIYGYCSQ-ZIAGYGMSSA-N 2 2 336.436 -1.371 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978830 792276384 /nfs/dbraw/zinc/27/63/84/792276384.db2.gz MBJBRRWAJFTVNP-KBPBESRZSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978830 792276378 /nfs/dbraw/zinc/27/63/78/792276378.db2.gz MBJBRRWAJFTVNP-KBPBESRZSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978831 792276550 /nfs/dbraw/zinc/27/65/50/792276550.db2.gz MBJBRRWAJFTVNP-KGLIPLIRSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978831 792276543 /nfs/dbraw/zinc/27/65/43/792276543.db2.gz MBJBRRWAJFTVNP-KGLIPLIRSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978832 792276816 /nfs/dbraw/zinc/27/68/16/792276816.db2.gz MBJBRRWAJFTVNP-UONOGXRCSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978832 792276806 /nfs/dbraw/zinc/27/68/06/792276806.db2.gz MBJBRRWAJFTVNP-UONOGXRCSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978833 792277286 /nfs/dbraw/zinc/27/72/86/792277286.db2.gz MBJBRRWAJFTVNP-ZIAGYGMSSA-N 2 2 337.424 -1.481 20 30 EAEDLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978833 792277278 /nfs/dbraw/zinc/27/72/78/792277278.db2.gz MBJBRRWAJFTVNP-ZIAGYGMSSA-N 2 2 337.424 -1.481 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979202 792277053 /nfs/dbraw/zinc/27/70/53/792277053.db2.gz QWKUVFJOCDRKGU-CABCVRRESA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979202 792277042 /nfs/dbraw/zinc/27/70/42/792277042.db2.gz QWKUVFJOCDRKGU-CABCVRRESA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979203 792276315 /nfs/dbraw/zinc/27/63/15/792276315.db2.gz QWKUVFJOCDRKGU-GJZGRUSLSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979203 792276308 /nfs/dbraw/zinc/27/63/08/792276308.db2.gz QWKUVFJOCDRKGU-GJZGRUSLSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979204 792276871 /nfs/dbraw/zinc/27/68/71/792276871.db2.gz QWKUVFJOCDRKGU-HUUCEWRRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979204 792276861 /nfs/dbraw/zinc/27/68/61/792276861.db2.gz QWKUVFJOCDRKGU-HUUCEWRRSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979205 792275339 /nfs/dbraw/zinc/27/53/39/792275339.db2.gz QWKUVFJOCDRKGU-LSDHHAIUSA-N 2 2 336.436 -1.371 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979205 792275329 /nfs/dbraw/zinc/27/53/29/792275329.db2.gz QWKUVFJOCDRKGU-LSDHHAIUSA-N 2 2 336.436 -1.371 20 30 EAEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037060 792314770 /nfs/dbraw/zinc/31/47/70/792314770.db2.gz SKMJCQHGVAHBOR-CVEARBPZSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037060 792314757 /nfs/dbraw/zinc/31/47/57/792314757.db2.gz SKMJCQHGVAHBOR-CVEARBPZSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037061 792312638 /nfs/dbraw/zinc/31/26/38/792312638.db2.gz SKMJCQHGVAHBOR-HOTGVXAUSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037061 792312630 /nfs/dbraw/zinc/31/26/30/792312630.db2.gz SKMJCQHGVAHBOR-HOTGVXAUSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037062 792312005 /nfs/dbraw/zinc/31/20/05/792312005.db2.gz SKMJCQHGVAHBOR-HZPDHXFCSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037062 792311994 /nfs/dbraw/zinc/31/19/94/792311994.db2.gz SKMJCQHGVAHBOR-HZPDHXFCSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037063 792314730 /nfs/dbraw/zinc/31/47/30/792314730.db2.gz SKMJCQHGVAHBOR-JKSUJKDBSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037063 792314722 /nfs/dbraw/zinc/31/47/22/792314722.db2.gz SKMJCQHGVAHBOR-JKSUJKDBSA-N 2 2 339.436 -1.090 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100048928 792328148 /nfs/dbraw/zinc/32/81/48/792328148.db2.gz UHRPFGLHAMCJIY-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100048928 792328140 /nfs/dbraw/zinc/32/81/40/792328140.db2.gz UHRPFGLHAMCJIY-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100048929 792328104 /nfs/dbraw/zinc/32/81/04/792328104.db2.gz UHRPFGLHAMCJIY-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100048929 792328094 /nfs/dbraw/zinc/32/80/94/792328094.db2.gz UHRPFGLHAMCJIY-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100048930 792328906 /nfs/dbraw/zinc/32/89/06/792328906.db2.gz UHRPFGLHAMCJIY-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100048930 792328891 /nfs/dbraw/zinc/32/88/91/792328891.db2.gz UHRPFGLHAMCJIY-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100048931 792330139 /nfs/dbraw/zinc/33/01/39/792330139.db2.gz UHRPFGLHAMCJIY-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100048931 792330123 /nfs/dbraw/zinc/33/01/23/792330123.db2.gz UHRPFGLHAMCJIY-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100064253 786458729 /nfs/dbraw/zinc/45/87/29/786458729.db2.gz KLSYIUGMHQIEOQ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100064253 786458722 /nfs/dbraw/zinc/45/87/22/786458722.db2.gz KLSYIUGMHQIEOQ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100064253 786458715 /nfs/dbraw/zinc/45/87/15/786458715.db2.gz KLSYIUGMHQIEOQ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100064253 786458708 /nfs/dbraw/zinc/45/87/08/786458708.db2.gz KLSYIUGMHQIEOQ-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064254 786458295 /nfs/dbraw/zinc/45/82/95/786458295.db2.gz KLSYIUGMHQIEOQ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064254 786458291 /nfs/dbraw/zinc/45/82/91/786458291.db2.gz KLSYIUGMHQIEOQ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064254 786458287 /nfs/dbraw/zinc/45/82/87/786458287.db2.gz KLSYIUGMHQIEOQ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064254 786458284 /nfs/dbraw/zinc/45/82/84/786458284.db2.gz KLSYIUGMHQIEOQ-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100064255 786458190 /nfs/dbraw/zinc/45/81/90/786458190.db2.gz KLSYIUGMHQIEOQ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100064255 786458188 /nfs/dbraw/zinc/45/81/88/786458188.db2.gz KLSYIUGMHQIEOQ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100064255 786458187 /nfs/dbraw/zinc/45/81/87/786458187.db2.gz KLSYIUGMHQIEOQ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100064255 786458185 /nfs/dbraw/zinc/45/81/85/786458185.db2.gz KLSYIUGMHQIEOQ-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064256 786458149 /nfs/dbraw/zinc/45/81/49/786458149.db2.gz KLSYIUGMHQIEOQ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064256 786458147 /nfs/dbraw/zinc/45/81/47/786458147.db2.gz KLSYIUGMHQIEOQ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064256 786458145 /nfs/dbraw/zinc/45/81/45/786458145.db2.gz KLSYIUGMHQIEOQ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100064256 786458142 /nfs/dbraw/zinc/45/81/42/786458142.db2.gz KLSYIUGMHQIEOQ-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074255 792358961 /nfs/dbraw/zinc/35/89/61/792358961.db2.gz KHLMBNGFXNLWQO-KBPBESRZSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074255 792358951 /nfs/dbraw/zinc/35/89/51/792358951.db2.gz KHLMBNGFXNLWQO-KBPBESRZSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074256 792358790 /nfs/dbraw/zinc/35/87/90/792358790.db2.gz KHLMBNGFXNLWQO-KGLIPLIRSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074256 792358774 /nfs/dbraw/zinc/35/87/74/792358774.db2.gz KHLMBNGFXNLWQO-KGLIPLIRSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074257 792357000 /nfs/dbraw/zinc/35/70/00/792357000.db2.gz KHLMBNGFXNLWQO-UONOGXRCSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074257 792356988 /nfs/dbraw/zinc/35/69/88/792356988.db2.gz KHLMBNGFXNLWQO-UONOGXRCSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074258 792359152 /nfs/dbraw/zinc/35/91/52/792359152.db2.gz KHLMBNGFXNLWQO-ZIAGYGMSSA-N 2 2 334.420 -1.617 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074258 792359142 /nfs/dbraw/zinc/35/91/42/792359142.db2.gz KHLMBNGFXNLWQO-ZIAGYGMSSA-N 2 2 334.420 -1.617 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074395 792357261 /nfs/dbraw/zinc/35/72/61/792357261.db2.gz MUSJFKVJMGRJGZ-KBPBESRZSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074395 792357254 /nfs/dbraw/zinc/35/72/54/792357254.db2.gz MUSJFKVJMGRJGZ-KBPBESRZSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074396 792358151 /nfs/dbraw/zinc/35/81/51/792358151.db2.gz MUSJFKVJMGRJGZ-KGLIPLIRSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074396 792358143 /nfs/dbraw/zinc/35/81/43/792358143.db2.gz MUSJFKVJMGRJGZ-KGLIPLIRSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074397 786461178 /nfs/dbraw/zinc/46/11/78/786461178.db2.gz MUSJFKVJMGRJGZ-UONOGXRCSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074397 786461177 /nfs/dbraw/zinc/46/11/77/786461177.db2.gz MUSJFKVJMGRJGZ-UONOGXRCSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074398 786460617 /nfs/dbraw/zinc/46/06/17/786460617.db2.gz MUSJFKVJMGRJGZ-ZIAGYGMSSA-N 2 2 342.440 -1.582 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074398 786460612 /nfs/dbraw/zinc/46/06/12/786460612.db2.gz MUSJFKVJMGRJGZ-ZIAGYGMSSA-N 2 2 342.440 -1.582 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075083 792356516 /nfs/dbraw/zinc/35/65/16/792356516.db2.gz YCLOAXTWMWBAIF-CHWSQXEVSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075083 792356504 /nfs/dbraw/zinc/35/65/04/792356504.db2.gz YCLOAXTWMWBAIF-CHWSQXEVSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075084 792356595 /nfs/dbraw/zinc/35/65/95/792356595.db2.gz YCLOAXTWMWBAIF-OLZOCXBDSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075084 792356584 /nfs/dbraw/zinc/35/65/84/792356584.db2.gz YCLOAXTWMWBAIF-OLZOCXBDSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075085 792356631 /nfs/dbraw/zinc/35/66/31/792356631.db2.gz YCLOAXTWMWBAIF-QWHCGFSZSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075085 792356616 /nfs/dbraw/zinc/35/66/16/792356616.db2.gz YCLOAXTWMWBAIF-QWHCGFSZSA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075086 792356889 /nfs/dbraw/zinc/35/68/89/792356889.db2.gz YCLOAXTWMWBAIF-STQMWFEESA-N 2 2 335.408 -1.727 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075086 792356880 /nfs/dbraw/zinc/35/68/80/792356880.db2.gz YCLOAXTWMWBAIF-STQMWFEESA-N 2 2 335.408 -1.727 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075107 792358009 /nfs/dbraw/zinc/35/80/09/792358009.db2.gz YOCZEBINQZTWOB-KBPBESRZSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075107 792357998 /nfs/dbraw/zinc/35/79/98/792357998.db2.gz YOCZEBINQZTWOB-KBPBESRZSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075108 792358118 /nfs/dbraw/zinc/35/81/18/792358118.db2.gz YOCZEBINQZTWOB-KGLIPLIRSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075108 792358108 /nfs/dbraw/zinc/35/81/08/792358108.db2.gz YOCZEBINQZTWOB-KGLIPLIRSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075109 792358385 /nfs/dbraw/zinc/35/83/85/792358385.db2.gz YOCZEBINQZTWOB-UONOGXRCSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075109 792358373 /nfs/dbraw/zinc/35/83/73/792358373.db2.gz YOCZEBINQZTWOB-UONOGXRCSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075110 792356137 /nfs/dbraw/zinc/35/61/37/792356137.db2.gz YOCZEBINQZTWOB-ZIAGYGMSSA-N 2 2 336.436 -1.064 20 30 EAEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075110 792356125 /nfs/dbraw/zinc/35/61/25/792356125.db2.gz YOCZEBINQZTWOB-ZIAGYGMSSA-N 2 2 336.436 -1.064 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100076965 792359445 /nfs/dbraw/zinc/35/94/45/792359445.db2.gz VWHIMAWHZFMANU-CHWSQXEVSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100076965 792359433 /nfs/dbraw/zinc/35/94/33/792359433.db2.gz VWHIMAWHZFMANU-CHWSQXEVSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100076966 792359633 /nfs/dbraw/zinc/35/96/33/792359633.db2.gz VWHIMAWHZFMANU-OLZOCXBDSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100076966 792359626 /nfs/dbraw/zinc/35/96/26/792359626.db2.gz VWHIMAWHZFMANU-OLZOCXBDSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100076967 792360246 /nfs/dbraw/zinc/36/02/46/792360246.db2.gz VWHIMAWHZFMANU-QWHCGFSZSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100076967 792360238 /nfs/dbraw/zinc/36/02/38/792360238.db2.gz VWHIMAWHZFMANU-QWHCGFSZSA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100076968 792360459 /nfs/dbraw/zinc/36/04/59/792360459.db2.gz VWHIMAWHZFMANU-STQMWFEESA-N 2 2 341.412 -2.244 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100076968 792360449 /nfs/dbraw/zinc/36/04/49/792360449.db2.gz VWHIMAWHZFMANU-STQMWFEESA-N 2 2 341.412 -2.244 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076989 786461610 /nfs/dbraw/zinc/46/16/10/786461610.db2.gz WHONGDRBIVFOFA-KBPBESRZSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076989 786461603 /nfs/dbraw/zinc/46/16/03/786461603.db2.gz WHONGDRBIVFOFA-KBPBESRZSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076990 786461346 /nfs/dbraw/zinc/46/13/46/786461346.db2.gz WHONGDRBIVFOFA-KGLIPLIRSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076990 786461343 /nfs/dbraw/zinc/46/13/43/786461343.db2.gz WHONGDRBIVFOFA-KGLIPLIRSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076991 786460485 /nfs/dbraw/zinc/46/04/85/786460485.db2.gz WHONGDRBIVFOFA-UONOGXRCSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076991 786460479 /nfs/dbraw/zinc/46/04/79/786460479.db2.gz WHONGDRBIVFOFA-UONOGXRCSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076992 786461354 /nfs/dbraw/zinc/46/13/54/786461354.db2.gz WHONGDRBIVFOFA-ZIAGYGMSSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076992 786461352 /nfs/dbraw/zinc/46/13/52/786461352.db2.gz WHONGDRBIVFOFA-ZIAGYGMSSA-N 2 2 340.424 -2.135 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100080228 792363527 /nfs/dbraw/zinc/36/35/27/792363527.db2.gz GEWLOYUWMJGVRJ-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100080228 792363517 /nfs/dbraw/zinc/36/35/17/792363517.db2.gz GEWLOYUWMJGVRJ-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100080229 792364339 /nfs/dbraw/zinc/36/43/39/792364339.db2.gz GEWLOYUWMJGVRJ-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100080229 792364327 /nfs/dbraw/zinc/36/43/27/792364327.db2.gz GEWLOYUWMJGVRJ-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100080230 792362539 /nfs/dbraw/zinc/36/25/39/792362539.db2.gz GEWLOYUWMJGVRJ-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100080230 792362532 /nfs/dbraw/zinc/36/25/32/792362532.db2.gz GEWLOYUWMJGVRJ-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100080231 792361982 /nfs/dbraw/zinc/36/19/82/792361982.db2.gz GEWLOYUWMJGVRJ-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100080231 792361970 /nfs/dbraw/zinc/36/19/70/792361970.db2.gz GEWLOYUWMJGVRJ-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082988 792363076 /nfs/dbraw/zinc/36/30/76/792363076.db2.gz LWDMAYGQMMQLKN-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082988 792363063 /nfs/dbraw/zinc/36/30/63/792363063.db2.gz LWDMAYGQMMQLKN-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082988 792363050 /nfs/dbraw/zinc/36/30/50/792363050.db2.gz LWDMAYGQMMQLKN-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082988 792363039 /nfs/dbraw/zinc/36/30/39/792363039.db2.gz LWDMAYGQMMQLKN-KBPBESRZSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082989 786462382 /nfs/dbraw/zinc/46/23/82/786462382.db2.gz LWDMAYGQMMQLKN-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082989 786462380 /nfs/dbraw/zinc/46/23/80/786462380.db2.gz LWDMAYGQMMQLKN-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082989 786462377 /nfs/dbraw/zinc/46/23/77/786462377.db2.gz LWDMAYGQMMQLKN-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100082989 786462374 /nfs/dbraw/zinc/46/23/74/786462374.db2.gz LWDMAYGQMMQLKN-KGLIPLIRSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100082990 786463405 /nfs/dbraw/zinc/46/34/05/786463405.db2.gz LWDMAYGQMMQLKN-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100082990 786463400 /nfs/dbraw/zinc/46/34/00/786463400.db2.gz LWDMAYGQMMQLKN-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100082990 786463398 /nfs/dbraw/zinc/46/33/98/786463398.db2.gz LWDMAYGQMMQLKN-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100082990 786463393 /nfs/dbraw/zinc/46/33/93/786463393.db2.gz LWDMAYGQMMQLKN-UONOGXRCSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100082991 786462879 /nfs/dbraw/zinc/46/28/79/786462879.db2.gz LWDMAYGQMMQLKN-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100082991 786462872 /nfs/dbraw/zinc/46/28/72/786462872.db2.gz LWDMAYGQMMQLKN-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100082991 786462869 /nfs/dbraw/zinc/46/28/69/786462869.db2.gz LWDMAYGQMMQLKN-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100082991 786462868 /nfs/dbraw/zinc/46/28/68/786462868.db2.gz LWDMAYGQMMQLKN-ZIAGYGMSSA-N 2 2 339.440 -1.091 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100083488 792363696 /nfs/dbraw/zinc/36/36/96/792363696.db2.gz SWXHWENYSFQCBE-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100083488 792363686 /nfs/dbraw/zinc/36/36/86/792363686.db2.gz SWXHWENYSFQCBE-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100083488 792363679 /nfs/dbraw/zinc/36/36/79/792363679.db2.gz SWXHWENYSFQCBE-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100083488 792363671 /nfs/dbraw/zinc/36/36/71/792363671.db2.gz SWXHWENYSFQCBE-CHWSQXEVSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083489 792364128 /nfs/dbraw/zinc/36/41/28/792364128.db2.gz SWXHWENYSFQCBE-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083489 792364122 /nfs/dbraw/zinc/36/41/22/792364122.db2.gz SWXHWENYSFQCBE-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083489 792364112 /nfs/dbraw/zinc/36/41/12/792364112.db2.gz SWXHWENYSFQCBE-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083489 792364108 /nfs/dbraw/zinc/36/41/08/792364108.db2.gz SWXHWENYSFQCBE-OLZOCXBDSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100083490 792364670 /nfs/dbraw/zinc/36/46/70/792364670.db2.gz SWXHWENYSFQCBE-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100083490 792364658 /nfs/dbraw/zinc/36/46/58/792364658.db2.gz SWXHWENYSFQCBE-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100083490 792364644 /nfs/dbraw/zinc/36/46/44/792364644.db2.gz SWXHWENYSFQCBE-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100083490 792364629 /nfs/dbraw/zinc/36/46/29/792364629.db2.gz SWXHWENYSFQCBE-QWHCGFSZSA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083491 792364916 /nfs/dbraw/zinc/36/49/16/792364916.db2.gz SWXHWENYSFQCBE-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083491 792364906 /nfs/dbraw/zinc/36/49/06/792364906.db2.gz SWXHWENYSFQCBE-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083491 792364896 /nfs/dbraw/zinc/36/48/96/792364896.db2.gz SWXHWENYSFQCBE-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100083491 792364884 /nfs/dbraw/zinc/36/48/84/792364884.db2.gz SWXHWENYSFQCBE-STQMWFEESA-N 2 2 325.413 -1.481 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109964 792388300 /nfs/dbraw/zinc/38/83/00/792388300.db2.gz NLIARCXSLIRMOK-KBPBESRZSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109964 792388293 /nfs/dbraw/zinc/38/82/93/792388293.db2.gz NLIARCXSLIRMOK-KBPBESRZSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109965 792388703 /nfs/dbraw/zinc/38/87/03/792388703.db2.gz NLIARCXSLIRMOK-KGLIPLIRSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100109965 792388696 /nfs/dbraw/zinc/38/86/96/792388696.db2.gz NLIARCXSLIRMOK-KGLIPLIRSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109966 792387970 /nfs/dbraw/zinc/38/79/70/792387970.db2.gz NLIARCXSLIRMOK-UONOGXRCSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109966 792387956 /nfs/dbraw/zinc/38/79/56/792387956.db2.gz NLIARCXSLIRMOK-UONOGXRCSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109967 792386626 /nfs/dbraw/zinc/38/66/26/792386626.db2.gz NLIARCXSLIRMOK-ZIAGYGMSSA-N 2 2 333.392 -1.508 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100109967 792386614 /nfs/dbraw/zinc/38/66/14/792386614.db2.gz NLIARCXSLIRMOK-ZIAGYGMSSA-N 2 2 333.392 -1.508 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100131483 792402467 /nfs/dbraw/zinc/40/24/67/792402467.db2.gz DLXSBANTMUFYTI-CHWSQXEVSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100131483 792402462 /nfs/dbraw/zinc/40/24/62/792402462.db2.gz DLXSBANTMUFYTI-CHWSQXEVSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100131483 792402454 /nfs/dbraw/zinc/40/24/54/792402454.db2.gz DLXSBANTMUFYTI-CHWSQXEVSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100131483 792402448 /nfs/dbraw/zinc/40/24/48/792402448.db2.gz DLXSBANTMUFYTI-CHWSQXEVSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131484 792401888 /nfs/dbraw/zinc/40/18/88/792401888.db2.gz DLXSBANTMUFYTI-OLZOCXBDSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131484 792401880 /nfs/dbraw/zinc/40/18/80/792401880.db2.gz DLXSBANTMUFYTI-OLZOCXBDSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131484 792401876 /nfs/dbraw/zinc/40/18/76/792401876.db2.gz DLXSBANTMUFYTI-OLZOCXBDSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131484 792401871 /nfs/dbraw/zinc/40/18/71/792401871.db2.gz DLXSBANTMUFYTI-OLZOCXBDSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100131485 792402418 /nfs/dbraw/zinc/40/24/18/792402418.db2.gz DLXSBANTMUFYTI-QWHCGFSZSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100131485 792402409 /nfs/dbraw/zinc/40/24/09/792402409.db2.gz DLXSBANTMUFYTI-QWHCGFSZSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100131485 792402406 /nfs/dbraw/zinc/40/24/06/792402406.db2.gz DLXSBANTMUFYTI-QWHCGFSZSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@H]1O ZINC001100131485 792402397 /nfs/dbraw/zinc/40/23/97/792402397.db2.gz DLXSBANTMUFYTI-QWHCGFSZSA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131486 792402095 /nfs/dbraw/zinc/40/20/95/792402095.db2.gz DLXSBANTMUFYTI-STQMWFEESA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131486 792402093 /nfs/dbraw/zinc/40/20/93/792402093.db2.gz DLXSBANTMUFYTI-STQMWFEESA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131486 792402086 /nfs/dbraw/zinc/40/20/86/792402086.db2.gz DLXSBANTMUFYTI-STQMWFEESA-N 2 2 325.413 -1.482 20 30 EAEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C[C@@H]1O ZINC001100131486 792402082 /nfs/dbraw/zinc/40/20/82/792402082.db2.gz DLXSBANTMUFYTI-STQMWFEESA-N 2 2 325.413 -1.482 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187595 792480837 /nfs/dbraw/zinc/48/08/37/792480837.db2.gz UULHIMATAAUVRN-RKVPGOIHSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187595 792480835 /nfs/dbraw/zinc/48/08/35/792480835.db2.gz UULHIMATAAUVRN-RKVPGOIHSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187595 792480832 /nfs/dbraw/zinc/48/08/32/792480832.db2.gz UULHIMATAAUVRN-RKVPGOIHSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187595 792480831 /nfs/dbraw/zinc/48/08/31/792480831.db2.gz UULHIMATAAUVRN-RKVPGOIHSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187596 792481334 /nfs/dbraw/zinc/48/13/34/792481334.db2.gz UULHIMATAAUVRN-VKJFTORMSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187596 792481324 /nfs/dbraw/zinc/48/13/24/792481324.db2.gz UULHIMATAAUVRN-VKJFTORMSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187596 792481317 /nfs/dbraw/zinc/48/13/17/792481317.db2.gz UULHIMATAAUVRN-VKJFTORMSA-N 2 2 348.447 -1.153 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187596 792481308 /nfs/dbraw/zinc/48/13/08/792481308.db2.gz UULHIMATAAUVRN-VKJFTORMSA-N 2 2 348.447 -1.153 20 30 EAEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187785 792481599 /nfs/dbraw/zinc/48/15/99/792481599.db2.gz XCCAOXIQUUEXFK-CPUCHLNUSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187785 792481594 /nfs/dbraw/zinc/48/15/94/792481594.db2.gz XCCAOXIQUUEXFK-CPUCHLNUSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187785 792481583 /nfs/dbraw/zinc/48/15/83/792481583.db2.gz XCCAOXIQUUEXFK-CPUCHLNUSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187785 792481574 /nfs/dbraw/zinc/48/15/74/792481574.db2.gz XCCAOXIQUUEXFK-CPUCHLNUSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187786 792480757 /nfs/dbraw/zinc/48/07/57/792480757.db2.gz XCCAOXIQUUEXFK-KEYYUXOJSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187786 792480755 /nfs/dbraw/zinc/48/07/55/792480755.db2.gz XCCAOXIQUUEXFK-KEYYUXOJSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187786 792480751 /nfs/dbraw/zinc/48/07/51/792480751.db2.gz XCCAOXIQUUEXFK-KEYYUXOJSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101187786 792480749 /nfs/dbraw/zinc/48/07/49/792480749.db2.gz XCCAOXIQUUEXFK-KEYYUXOJSA-N 2 2 349.435 -1.263 20 30 EAEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101844391 792512909 /nfs/dbraw/zinc/51/29/09/792512909.db2.gz YSYSBQHNXGDRLZ-MCIONIFRSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101844391 792512900 /nfs/dbraw/zinc/51/29/00/792512900.db2.gz YSYSBQHNXGDRLZ-MCIONIFRSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844391 792512893 /nfs/dbraw/zinc/51/28/93/792512893.db2.gz YSYSBQHNXGDRLZ-MCIONIFRSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001101844391 792512884 /nfs/dbraw/zinc/51/28/84/792512884.db2.gz YSYSBQHNXGDRLZ-MCIONIFRSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101844392 792514307 /nfs/dbraw/zinc/51/43/07/792514307.db2.gz YSYSBQHNXGDRLZ-MGPQQGTHSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101844392 792514299 /nfs/dbraw/zinc/51/42/99/792514299.db2.gz YSYSBQHNXGDRLZ-MGPQQGTHSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844392 792514291 /nfs/dbraw/zinc/51/42/91/792514291.db2.gz YSYSBQHNXGDRLZ-MGPQQGTHSA-N 2 2 337.424 -1.359 20 30 EAEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101844392 792514284 /nfs/dbraw/zinc/51/42/84/792514284.db2.gz YSYSBQHNXGDRLZ-MGPQQGTHSA-N 2 2 337.424 -1.359 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105262105 785318307 /nfs/dbraw/zinc/31/83/07/785318307.db2.gz HNMHBXFJVFVNII-HNNXBMFYSA-N 2 2 332.408 -1.159 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105262105 785318294 /nfs/dbraw/zinc/31/82/94/785318294.db2.gz HNMHBXFJVFVNII-HNNXBMFYSA-N 2 2 332.408 -1.159 20 30 EAEDLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105318731 785337173 /nfs/dbraw/zinc/33/71/73/785337173.db2.gz MRPOQPNYKBDOFI-UHFFFAOYSA-N 2 2 348.411 -1.658 20 30 EAEDLP C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321023 785338897 /nfs/dbraw/zinc/33/88/97/785338897.db2.gz VEQRQEVGKTZTAX-UHFFFAOYSA-N 2 2 347.423 -1.548 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109977392 786622673 /nfs/dbraw/zinc/62/26/73/786622673.db2.gz HMZAJKKVEJKCMT-RDBSUJKOSA-N 2 2 337.424 -1.074 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109977392 786622665 /nfs/dbraw/zinc/62/26/65/786622665.db2.gz HMZAJKKVEJKCMT-RDBSUJKOSA-N 2 2 337.424 -1.074 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111277229 791637285 /nfs/dbraw/zinc/63/72/85/791637285.db2.gz HMZAJKKVEJKCMT-MCIONIFRSA-N 2 2 337.424 -1.074 20 30 EAEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111277229 791637278 /nfs/dbraw/zinc/63/72/78/791637278.db2.gz HMZAJKKVEJKCMT-MCIONIFRSA-N 2 2 337.424 -1.074 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114421341 791436400 /nfs/dbraw/zinc/43/64/00/791436400.db2.gz NVPIXYNVRMGCJM-KZVDOYCCSA-N 2 2 333.392 -1.675 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114421341 791436393 /nfs/dbraw/zinc/43/63/93/791436393.db2.gz NVPIXYNVRMGCJM-KZVDOYCCSA-N 2 2 333.392 -1.675 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114421341 791436389 /nfs/dbraw/zinc/43/63/89/791436389.db2.gz NVPIXYNVRMGCJM-KZVDOYCCSA-N 2 2 333.392 -1.675 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114421341 791436385 /nfs/dbraw/zinc/43/63/85/791436385.db2.gz NVPIXYNVRMGCJM-KZVDOYCCSA-N 2 2 333.392 -1.675 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001114421424 791436686 /nfs/dbraw/zinc/43/66/86/791436686.db2.gz PLCNNORODCOKLC-QSJFSLAZSA-N 2 2 328.416 -1.120 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001114421424 791436683 /nfs/dbraw/zinc/43/66/83/791436683.db2.gz PLCNNORODCOKLC-QSJFSLAZSA-N 2 2 328.416 -1.120 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001114421424 791436679 /nfs/dbraw/zinc/43/66/79/791436679.db2.gz PLCNNORODCOKLC-QSJFSLAZSA-N 2 2 328.416 -1.120 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001114421424 791436677 /nfs/dbraw/zinc/43/66/77/791436677.db2.gz PLCNNORODCOKLC-QSJFSLAZSA-N 2 2 328.416 -1.120 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114421561 791436476 /nfs/dbraw/zinc/43/64/76/791436476.db2.gz QBTBWKHEEJFRSC-SFDCQRBFSA-N 2 2 347.419 -1.414 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114421561 791436472 /nfs/dbraw/zinc/43/64/72/791436472.db2.gz QBTBWKHEEJFRSC-SFDCQRBFSA-N 2 2 347.419 -1.414 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114421561 791436470 /nfs/dbraw/zinc/43/64/70/791436470.db2.gz QBTBWKHEEJFRSC-SFDCQRBFSA-N 2 2 347.419 -1.414 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114421561 791436467 /nfs/dbraw/zinc/43/64/67/791436467.db2.gz QBTBWKHEEJFRSC-SFDCQRBFSA-N 2 2 347.419 -1.414 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001114453784 791441900 /nfs/dbraw/zinc/44/19/00/791441900.db2.gz QBGSZEGVGAZCOZ-VVSAWPALSA-N 2 2 335.408 -1.608 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001114453784 791441890 /nfs/dbraw/zinc/44/18/90/791441890.db2.gz QBGSZEGVGAZCOZ-VVSAWPALSA-N 2 2 335.408 -1.608 20 30 EAEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001114453784 791441882 /nfs/dbraw/zinc/44/18/82/791441882.db2.gz QBGSZEGVGAZCOZ-VVSAWPALSA-N 2 2 335.408 -1.608 20 30 EAEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)O1 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ZINC001150698797 793184984 /nfs/dbraw/zinc/18/49/84/793184984.db2.gz BWIVDEAVWUTRMH-HUUCEWRRSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150698797 793184978 /nfs/dbraw/zinc/18/49/78/793184978.db2.gz BWIVDEAVWUTRMH-HUUCEWRRSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150698797 793184974 /nfs/dbraw/zinc/18/49/74/793184974.db2.gz BWIVDEAVWUTRMH-HUUCEWRRSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150698798 793184296 /nfs/dbraw/zinc/18/42/96/793184296.db2.gz BWIVDEAVWUTRMH-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150698798 793184290 /nfs/dbraw/zinc/18/42/90/793184290.db2.gz BWIVDEAVWUTRMH-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150698798 793184282 /nfs/dbraw/zinc/18/42/82/793184282.db2.gz BWIVDEAVWUTRMH-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150698798 793184276 /nfs/dbraw/zinc/18/42/76/793184276.db2.gz BWIVDEAVWUTRMH-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700127 793184258 /nfs/dbraw/zinc/18/42/58/793184258.db2.gz SNDWNMUKECCCHP-KBPBESRZSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700127 793184249 /nfs/dbraw/zinc/18/42/49/793184249.db2.gz SNDWNMUKECCCHP-KBPBESRZSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700127 793184243 /nfs/dbraw/zinc/18/42/43/793184243.db2.gz SNDWNMUKECCCHP-KBPBESRZSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700127 793184237 /nfs/dbraw/zinc/18/42/37/793184237.db2.gz SNDWNMUKECCCHP-KBPBESRZSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700128 793183868 /nfs/dbraw/zinc/18/38/68/793183868.db2.gz SNDWNMUKECCCHP-KGLIPLIRSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700128 793183863 /nfs/dbraw/zinc/18/38/63/793183863.db2.gz SNDWNMUKECCCHP-KGLIPLIRSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700128 793183858 /nfs/dbraw/zinc/18/38/58/793183858.db2.gz SNDWNMUKECCCHP-KGLIPLIRSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700128 793183854 /nfs/dbraw/zinc/18/38/54/793183854.db2.gz SNDWNMUKECCCHP-KGLIPLIRSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700129 793184853 /nfs/dbraw/zinc/18/48/53/793184853.db2.gz SNDWNMUKECCCHP-UONOGXRCSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700129 793184851 /nfs/dbraw/zinc/18/48/51/793184851.db2.gz SNDWNMUKECCCHP-UONOGXRCSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700129 793184847 /nfs/dbraw/zinc/18/48/47/793184847.db2.gz SNDWNMUKECCCHP-UONOGXRCSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700129 793184841 /nfs/dbraw/zinc/18/48/41/793184841.db2.gz SNDWNMUKECCCHP-UONOGXRCSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700130 793184729 /nfs/dbraw/zinc/18/47/29/793184729.db2.gz SNDWNMUKECCCHP-ZIAGYGMSSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700130 793184724 /nfs/dbraw/zinc/18/47/24/793184724.db2.gz SNDWNMUKECCCHP-ZIAGYGMSSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700130 793184720 /nfs/dbraw/zinc/18/47/20/793184720.db2.gz SNDWNMUKECCCHP-ZIAGYGMSSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)CCCO2)C1 ZINC001150700130 793184716 /nfs/dbraw/zinc/18/47/16/793184716.db2.gz SNDWNMUKECCCHP-ZIAGYGMSSA-N 2 2 337.424 -1.215 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715930 793186845 /nfs/dbraw/zinc/18/68/45/793186845.db2.gz OKWOKOPIWZBUQU-AWEZNQCLSA-N 2 2 337.424 -1.071 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715930 793186841 /nfs/dbraw/zinc/18/68/41/793186841.db2.gz OKWOKOPIWZBUQU-AWEZNQCLSA-N 2 2 337.424 -1.071 20 30 EAEDLP N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715932 793187091 /nfs/dbraw/zinc/18/70/91/793187091.db2.gz OKWOKOPIWZBUQU-CQSZACIVSA-N 2 2 337.424 -1.071 20 30 EAEDLP N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715932 793187081 /nfs/dbraw/zinc/18/70/81/793187081.db2.gz OKWOKOPIWZBUQU-CQSZACIVSA-N 2 2 337.424 -1.071 20 30 EAEDLP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152621323 793237882 /nfs/dbraw/zinc/23/78/82/793237882.db2.gz RCAPYYDGTIHFGS-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152621323 793237874 /nfs/dbraw/zinc/23/78/74/793237874.db2.gz RCAPYYDGTIHFGS-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152621323 793237868 /nfs/dbraw/zinc/23/78/68/793237868.db2.gz RCAPYYDGTIHFGS-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152621323 793237861 /nfs/dbraw/zinc/23/78/61/793237861.db2.gz RCAPYYDGTIHFGS-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152621326 793237230 /nfs/dbraw/zinc/23/72/30/793237230.db2.gz RCAPYYDGTIHFGS-OLZOCXBDSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152621326 793237226 /nfs/dbraw/zinc/23/72/26/793237226.db2.gz RCAPYYDGTIHFGS-OLZOCXBDSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152621326 793237223 /nfs/dbraw/zinc/23/72/23/793237223.db2.gz RCAPYYDGTIHFGS-OLZOCXBDSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152621326 793237217 /nfs/dbraw/zinc/23/72/17/793237217.db2.gz RCAPYYDGTIHFGS-OLZOCXBDSA-N 2 2 325.413 -1.217 20 30 EAEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001158005954 793346922 /nfs/dbraw/zinc/34/69/22/793346922.db2.gz GFEYBKQMVKTHJP-OUAUKWLOSA-N 2 2 349.409 -1.943 20 30 EAEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001158005955 793348028 /nfs/dbraw/zinc/34/80/28/793348028.db2.gz GFEYBKQMVKTHJP-VWYCJHECSA-N 2 2 349.409 -1.943 20 30 EAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160637635 793573767 /nfs/dbraw/zinc/57/37/67/793573767.db2.gz RXCTVZFGZCBOAU-SGMGOOAPSA-N 2 2 327.392 -1.053 20 30 EAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160638212 793572874 /nfs/dbraw/zinc/57/28/74/793572874.db2.gz ZFLHLXMPONNVAA-BLLLJJGKSA-N 2 2 327.392 -1.052 20 30 EAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160638213 793573664 /nfs/dbraw/zinc/57/36/64/793573664.db2.gz ZFLHLXMPONNVAA-LRDDRELGSA-N 2 2 327.392 -1.052 20 30 EAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160638214 793572818 /nfs/dbraw/zinc/57/28/18/793572818.db2.gz ZFLHLXMPONNVAA-MLGOLLRUSA-N 2 2 327.392 -1.052 20 30 EAEDLP N#Cc1nccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160638215 793573745 /nfs/dbraw/zinc/57/37/45/793573745.db2.gz ZFLHLXMPONNVAA-WBMJQRKESA-N 2 2 327.392 -1.052 20 30 EAEDLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001161138485 793589446 /nfs/dbraw/zinc/58/94/46/793589446.db2.gz BKBRYHJZHCBHFL-PTRXPTGYSA-N 2 2 335.382 -2.204 20 30 EAEDLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001161138486 793588674 /nfs/dbraw/zinc/58/86/74/793588674.db2.gz BKBRYHJZHCBHFL-VDDIYKPWSA-N 2 2 335.382 -2.204 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731468 793675301 /nfs/dbraw/zinc/67/53/01/793675301.db2.gz CMXRCJMBGBYZNV-AWEZNQCLSA-N 2 2 348.407 -1.698 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731468 793675293 /nfs/dbraw/zinc/67/52/93/793675293.db2.gz CMXRCJMBGBYZNV-AWEZNQCLSA-N 2 2 348.407 -1.698 20 30 EAEDLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001165731669 793675559 /nfs/dbraw/zinc/67/55/59/793675559.db2.gz MTKZAERQCBXDSH-ZDUSSCGKSA-N 2 2 349.395 -1.807 20 30 EAEDLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001165731669 793675556 /nfs/dbraw/zinc/67/55/56/793675556.db2.gz MTKZAERQCBXDSH-ZDUSSCGKSA-N 2 2 349.395 -1.807 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176674901 787869449 /nfs/dbraw/zinc/86/94/49/787869449.db2.gz AJVYUIODLWHOEY-HNNXBMFYSA-N 2 2 337.424 -1.167 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176674902 787869243 /nfs/dbraw/zinc/86/92/43/787869243.db2.gz AJVYUIODLWHOEY-OAHLLOKOSA-N 2 2 337.424 -1.167 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675296 787869721 /nfs/dbraw/zinc/86/97/21/787869721.db2.gz HYYVQYCTZATUHI-INIZCTEOSA-N 2 2 336.436 -1.058 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675302 787869351 /nfs/dbraw/zinc/86/93/51/787869351.db2.gz HYYVQYCTZATUHI-MRXNPFEDSA-N 2 2 336.436 -1.058 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187993545 790500787 /nfs/dbraw/zinc/50/07/87/790500787.db2.gz AXBIXZQKTSEJMT-GDBMZVCRSA-N 2 2 349.435 -1.073 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187993546 790500041 /nfs/dbraw/zinc/50/00/41/790500041.db2.gz AXBIXZQKTSEJMT-ZBFHGGJFSA-N 2 2 349.435 -1.073 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323276 790512945 /nfs/dbraw/zinc/51/29/45/790512945.db2.gz UKFRTFXKPWASQQ-QKPAOTATSA-N 2 2 348.447 -1.012 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323276 790512938 /nfs/dbraw/zinc/51/29/38/790512938.db2.gz UKFRTFXKPWASQQ-QKPAOTATSA-N 2 2 348.447 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323276 790512932 /nfs/dbraw/zinc/51/29/32/790512932.db2.gz UKFRTFXKPWASQQ-QKPAOTATSA-N 2 2 348.447 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323276 790512926 /nfs/dbraw/zinc/51/29/26/790512926.db2.gz UKFRTFXKPWASQQ-QKPAOTATSA-N 2 2 348.447 -1.012 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426535 790548078 /nfs/dbraw/zinc/54/80/78/790548078.db2.gz YGMWMTYNIUYEDX-JKSUJKDBSA-N 2 2 348.447 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426535 790548066 /nfs/dbraw/zinc/54/80/66/790548066.db2.gz YGMWMTYNIUYEDX-JKSUJKDBSA-N 2 2 348.447 -1.009 20 30 EAEDLP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189793398 790565591 /nfs/dbraw/zinc/56/55/91/790565591.db2.gz CCACQCXCDHTJSS-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189793398 790565583 /nfs/dbraw/zinc/56/55/83/790565583.db2.gz CCACQCXCDHTJSS-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001190721441 790611395 /nfs/dbraw/zinc/61/13/95/790611395.db2.gz CDRADXGMPGYTGF-OLZOCXBDSA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001190721441 790611390 /nfs/dbraw/zinc/61/13/90/790611390.db2.gz CDRADXGMPGYTGF-OLZOCXBDSA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190721441 790611382 /nfs/dbraw/zinc/61/13/82/790611382.db2.gz CDRADXGMPGYTGF-OLZOCXBDSA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190721441 790611380 /nfs/dbraw/zinc/61/13/80/790611380.db2.gz CDRADXGMPGYTGF-OLZOCXBDSA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001190721452 790610801 /nfs/dbraw/zinc/61/08/01/790610801.db2.gz CDRADXGMPGYTGF-STQMWFEESA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001190721452 790610797 /nfs/dbraw/zinc/61/07/97/790610797.db2.gz CDRADXGMPGYTGF-STQMWFEESA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190721452 790610791 /nfs/dbraw/zinc/61/07/91/790610791.db2.gz CDRADXGMPGYTGF-STQMWFEESA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190721452 790610786 /nfs/dbraw/zinc/61/07/86/790610786.db2.gz CDRADXGMPGYTGF-STQMWFEESA-N 2 2 335.408 -1.188 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619689 /nfs/dbraw/zinc/61/96/89/790619689.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619686 /nfs/dbraw/zinc/61/96/86/790619686.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619683 /nfs/dbraw/zinc/61/96/83/790619683.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619677 /nfs/dbraw/zinc/61/96/77/790619677.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619850 /nfs/dbraw/zinc/61/98/50/790619850.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619845 /nfs/dbraw/zinc/61/98/45/790619845.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619843 /nfs/dbraw/zinc/61/98/43/790619843.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 2 336.436 -1.012 20 30 EAEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619838 /nfs/dbraw/zinc/61/98/38/790619838.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 2 336.436 -1.012 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620309 /nfs/dbraw/zinc/62/03/09/790620309.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620303 /nfs/dbraw/zinc/62/03/03/790620303.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620297 /nfs/dbraw/zinc/62/02/97/790620297.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620291 /nfs/dbraw/zinc/62/02/91/790620291.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620713 /nfs/dbraw/zinc/62/07/13/790620713.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620704 /nfs/dbraw/zinc/62/07/04/790620704.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620695 /nfs/dbraw/zinc/62/06/95/790620695.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 2 337.424 -1.122 20 30 EAEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620686 /nfs/dbraw/zinc/62/06/86/790620686.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 2 337.424 -1.122 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844777 790790033 /nfs/dbraw/zinc/79/00/33/790790033.db2.gz AWZCPNGIRKYKTO-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844777 790790026 /nfs/dbraw/zinc/79/00/26/790790026.db2.gz AWZCPNGIRKYKTO-HNNXBMFYSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844778 790790171 /nfs/dbraw/zinc/79/01/71/790790171.db2.gz AWZCPNGIRKYKTO-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844778 790790163 /nfs/dbraw/zinc/79/01/63/790790163.db2.gz AWZCPNGIRKYKTO-OAHLLOKOSA-N 2 2 336.436 -1.009 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844975 790790227 /nfs/dbraw/zinc/79/02/27/790790227.db2.gz DGKLADURGKWTMX-AWEZNQCLSA-N 2 2 337.424 -1.119 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844975 790790221 /nfs/dbraw/zinc/79/02/21/790790221.db2.gz DGKLADURGKWTMX-AWEZNQCLSA-N 2 2 337.424 -1.119 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844976 790790323 /nfs/dbraw/zinc/79/03/23/790790323.db2.gz DGKLADURGKWTMX-CQSZACIVSA-N 2 2 337.424 -1.119 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192844976 790790317 /nfs/dbraw/zinc/79/03/17/790790317.db2.gz DGKLADURGKWTMX-CQSZACIVSA-N 2 2 337.424 -1.119 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068484 790813595 /nfs/dbraw/zinc/81/35/95/790813595.db2.gz UOVRSNXKESZQSA-HZPDHXFCSA-N 2 2 349.435 -1.131 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068484 790813592 /nfs/dbraw/zinc/81/35/92/790813592.db2.gz UOVRSNXKESZQSA-HZPDHXFCSA-N 2 2 349.435 -1.131 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805698 790891233 /nfs/dbraw/zinc/89/12/33/790891233.db2.gz UBVOUYWIVIIHEK-BPLDGKMQSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805698 790891219 /nfs/dbraw/zinc/89/12/19/790891219.db2.gz UBVOUYWIVIIHEK-BPLDGKMQSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805698 790891205 /nfs/dbraw/zinc/89/12/05/790891205.db2.gz UBVOUYWIVIIHEK-BPLDGKMQSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805698 790891193 /nfs/dbraw/zinc/89/11/93/790891193.db2.gz UBVOUYWIVIIHEK-BPLDGKMQSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805699 790892896 /nfs/dbraw/zinc/89/28/96/790892896.db2.gz UBVOUYWIVIIHEK-NWANDNLSSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805699 790892883 /nfs/dbraw/zinc/89/28/83/790892883.db2.gz UBVOUYWIVIIHEK-NWANDNLSSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805699 790892870 /nfs/dbraw/zinc/89/28/70/790892870.db2.gz UBVOUYWIVIIHEK-NWANDNLSSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805699 790892859 /nfs/dbraw/zinc/89/28/59/790892859.db2.gz UBVOUYWIVIIHEK-NWANDNLSSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001193849925 790896680 /nfs/dbraw/zinc/89/66/80/790896680.db2.gz RWERLPSRVMHDNH-APIJFGDWSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001193849925 790896667 /nfs/dbraw/zinc/89/66/67/790896667.db2.gz RWERLPSRVMHDNH-APIJFGDWSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001193849925 790896657 /nfs/dbraw/zinc/89/66/57/790896657.db2.gz RWERLPSRVMHDNH-APIJFGDWSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001193849925 790896640 /nfs/dbraw/zinc/89/66/40/790896640.db2.gz RWERLPSRVMHDNH-APIJFGDWSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001193849928 790895635 /nfs/dbraw/zinc/89/56/35/790895635.db2.gz RWERLPSRVMHDNH-LJISPDSOSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1O ZINC001193849928 790895621 /nfs/dbraw/zinc/89/56/21/790895621.db2.gz RWERLPSRVMHDNH-LJISPDSOSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001193849928 790895615 /nfs/dbraw/zinc/89/56/15/790895615.db2.gz RWERLPSRVMHDNH-LJISPDSOSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001193849928 790895594 /nfs/dbraw/zinc/89/55/94/790895594.db2.gz RWERLPSRVMHDNH-LJISPDSOSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155312 790929089 /nfs/dbraw/zinc/92/90/89/790929089.db2.gz RCSDMFNIXHIFLK-CABCVRRESA-N 2 2 336.436 -1.011 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155312 790929083 /nfs/dbraw/zinc/92/90/83/790929083.db2.gz 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C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719316 793909514 /nfs/dbraw/zinc/90/95/14/793909514.db2.gz WYXJZQRQFYXZHI-RRFJBIMHSA-N 2 2 336.436 -1.107 20 30 EAEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719316 793909510 /nfs/dbraw/zinc/90/95/10/793909510.db2.gz WYXJZQRQFYXZHI-RRFJBIMHSA-N 2 2 336.436 -1.107 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719316 793909508 /nfs/dbraw/zinc/90/95/08/793909508.db2.gz WYXJZQRQFYXZHI-RRFJBIMHSA-N 2 2 336.436 -1.107 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719316 793909504 /nfs/dbraw/zinc/90/95/04/793909504.db2.gz WYXJZQRQFYXZHI-RRFJBIMHSA-N 2 2 336.436 -1.107 20 30 EAEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001218596590 794016709 /nfs/dbraw/zinc/01/67/09/794016709.db2.gz JUEMNCQFJJLVCA-NSHDSACASA-N 2 2 341.379 -1.074 20 30 EAEDLP 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COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652353 794150508 /nfs/dbraw/zinc/15/05/08/794150508.db2.gz UOVRSNXKESZQSA-CVEARBPZSA-N 2 2 349.435 -1.131 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652353 794150505 /nfs/dbraw/zinc/15/05/05/794150505.db2.gz UOVRSNXKESZQSA-CVEARBPZSA-N 2 2 349.435 -1.131 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815985 794187837 /nfs/dbraw/zinc/18/78/37/794187837.db2.gz UBVOUYWIVIIHEK-CFVMTHIKSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815985 794187834 /nfs/dbraw/zinc/18/78/34/794187834.db2.gz UBVOUYWIVIIHEK-CFVMTHIKSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815985 794187827 /nfs/dbraw/zinc/18/78/27/794187827.db2.gz UBVOUYWIVIIHEK-CFVMTHIKSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815985 794187821 /nfs/dbraw/zinc/18/78/21/794187821.db2.gz UBVOUYWIVIIHEK-CFVMTHIKSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815986 794188077 /nfs/dbraw/zinc/18/80/77/794188077.db2.gz UBVOUYWIVIIHEK-YUELXQCFSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815986 794188075 /nfs/dbraw/zinc/18/80/75/794188075.db2.gz UBVOUYWIVIIHEK-YUELXQCFSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815986 794188071 /nfs/dbraw/zinc/18/80/71/794188071.db2.gz UBVOUYWIVIIHEK-YUELXQCFSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815986 794188067 /nfs/dbraw/zinc/18/80/67/794188067.db2.gz UBVOUYWIVIIHEK-YUELXQCFSA-N 2 2 336.436 -1.230 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001219821581 794189554 /nfs/dbraw/zinc/18/95/54/794189554.db2.gz RWERLPSRVMHDNH-KBXIAJHMSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001219821581 794189551 /nfs/dbraw/zinc/18/95/51/794189551.db2.gz RWERLPSRVMHDNH-KBXIAJHMSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219821581 794189548 /nfs/dbraw/zinc/18/95/48/794189548.db2.gz RWERLPSRVMHDNH-KBXIAJHMSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219821581 794189544 /nfs/dbraw/zinc/18/95/44/794189544.db2.gz RWERLPSRVMHDNH-KBXIAJHMSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001219821582 794190055 /nfs/dbraw/zinc/19/00/55/794190055.db2.gz RWERLPSRVMHDNH-XGUBFFRZSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001219821582 794190053 /nfs/dbraw/zinc/19/00/53/794190053.db2.gz RWERLPSRVMHDNH-XGUBFFRZSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219821582 794190047 /nfs/dbraw/zinc/19/00/47/794190047.db2.gz RWERLPSRVMHDNH-XGUBFFRZSA-N 2 2 325.409 -1.747 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219821582 794190041 /nfs/dbraw/zinc/19/00/41/794190041.db2.gz RWERLPSRVMHDNH-XGUBFFRZSA-N 2 2 325.409 -1.747 20 30 EAEDLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[NH2+]1 ZINC001219968269 794222706 /nfs/dbraw/zinc/22/27/06/794222706.db2.gz XXIAUEGDPQHYAQ-IMSYWVGJSA-N 2 2 335.382 -2.287 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034107 794232578 /nfs/dbraw/zinc/23/25/78/794232578.db2.gz OAAGLAWEMGPDAS-OWQJAQGESA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034107 794232574 /nfs/dbraw/zinc/23/25/74/794232574.db2.gz OAAGLAWEMGPDAS-OWQJAQGESA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034107 794232569 /nfs/dbraw/zinc/23/25/69/794232569.db2.gz OAAGLAWEMGPDAS-OWQJAQGESA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034107 794232566 /nfs/dbraw/zinc/23/25/66/794232566.db2.gz OAAGLAWEMGPDAS-OWQJAQGESA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034108 794232131 /nfs/dbraw/zinc/23/21/31/794232131.db2.gz OAAGLAWEMGPDAS-PLQZLIEUSA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034108 794232127 /nfs/dbraw/zinc/23/21/27/794232127.db2.gz OAAGLAWEMGPDAS-PLQZLIEUSA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034108 794232122 /nfs/dbraw/zinc/23/21/22/794232122.db2.gz OAAGLAWEMGPDAS-PLQZLIEUSA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034108 794232118 /nfs/dbraw/zinc/23/21/18/794232118.db2.gz OAAGLAWEMGPDAS-PLQZLIEUSA-N 2 2 349.431 -1.339 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212210 794260350 /nfs/dbraw/zinc/26/03/50/794260350.db2.gz ZGKAJNOKIJLZSW-OWCLPIDISA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212210 794260343 /nfs/dbraw/zinc/26/03/43/794260343.db2.gz ZGKAJNOKIJLZSW-OWCLPIDISA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212210 794260336 /nfs/dbraw/zinc/26/03/36/794260336.db2.gz ZGKAJNOKIJLZSW-OWCLPIDISA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212210 794260328 /nfs/dbraw/zinc/26/03/28/794260328.db2.gz ZGKAJNOKIJLZSW-OWCLPIDISA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212211 794260092 /nfs/dbraw/zinc/26/00/92/794260092.db2.gz ZGKAJNOKIJLZSW-PMPSAXMXSA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212211 794260087 /nfs/dbraw/zinc/26/00/87/794260087.db2.gz ZGKAJNOKIJLZSW-PMPSAXMXSA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212211 794260083 /nfs/dbraw/zinc/26/00/83/794260083.db2.gz ZGKAJNOKIJLZSW-PMPSAXMXSA-N 2 2 339.436 -1.093 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220212211 794260079 /nfs/dbraw/zinc/26/00/79/794260079.db2.gz ZGKAJNOKIJLZSW-PMPSAXMXSA-N 2 2 339.436 -1.093 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227111 794263339 /nfs/dbraw/zinc/26/33/39/794263339.db2.gz IFYGBMVWYWRVPI-MCIONIFRSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227111 794263334 /nfs/dbraw/zinc/26/33/34/794263334.db2.gz IFYGBMVWYWRVPI-MCIONIFRSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227112 794263496 /nfs/dbraw/zinc/26/34/96/794263496.db2.gz IFYGBMVWYWRVPI-MJBXVCDLSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227112 794263493 /nfs/dbraw/zinc/26/34/93/794263493.db2.gz IFYGBMVWYWRVPI-MJBXVCDLSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268554 794272393 /nfs/dbraw/zinc/27/23/93/794272393.db2.gz AUYCXSRHBKPNPY-CFVMTHIKSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268554 794272388 /nfs/dbraw/zinc/27/23/88/794272388.db2.gz AUYCXSRHBKPNPY-CFVMTHIKSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268555 794272941 /nfs/dbraw/zinc/27/29/41/794272941.db2.gz AUYCXSRHBKPNPY-YUELXQCFSA-N 2 2 336.436 -1.373 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268555 794272940 /nfs/dbraw/zinc/27/29/40/794272940.db2.gz AUYCXSRHBKPNPY-YUELXQCFSA-N 2 2 336.436 -1.373 20 30 EAEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271765 794273577 /nfs/dbraw/zinc/27/35/77/794273577.db2.gz HJSLJTZXKVBFRX-KGLIPLIRSA-N 2 2 339.440 -1.138 20 30 EAEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271765 794273575 /nfs/dbraw/zinc/27/35/75/794273575.db2.gz HJSLJTZXKVBFRX-KGLIPLIRSA-N 2 2 339.440 -1.138 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516869 794309133 /nfs/dbraw/zinc/30/91/33/794309133.db2.gz IQLCGNSLNBAXCW-CVEARBPZSA-N 2 2 349.435 -1.131 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516869 794309127 /nfs/dbraw/zinc/30/91/27/794309127.db2.gz IQLCGNSLNBAXCW-CVEARBPZSA-N 2 2 349.435 -1.131 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643256 794332505 /nfs/dbraw/zinc/33/25/05/794332505.db2.gz XCRMXPIEQKFJRK-CVEARBPZSA-N 2 2 339.436 -1.092 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643256 794332498 /nfs/dbraw/zinc/33/24/98/794332498.db2.gz XCRMXPIEQKFJRK-CVEARBPZSA-N 2 2 339.436 -1.092 20 30 EAEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764208 794355286 /nfs/dbraw/zinc/35/52/86/794355286.db2.gz CMYHEBCNVWVPIV-MCIONIFRSA-N 2 2 342.440 -1.583 20 30 EAEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764208 794355274 /nfs/dbraw/zinc/35/52/74/794355274.db2.gz CMYHEBCNVWVPIV-MCIONIFRSA-N 2 2 342.440 -1.583 20 30 EAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764209 794354082 /nfs/dbraw/zinc/35/40/82/794354082.db2.gz CMYHEBCNVWVPIV-MJBXVCDLSA-N 2 2 342.440 -1.583 20 30 EAEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764209 794354068 /nfs/dbraw/zinc/35/40/68/794354068.db2.gz CMYHEBCNVWVPIV-MJBXVCDLSA-N 2 2 342.440 -1.583 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764822 794354848 /nfs/dbraw/zinc/35/48/48/794354848.db2.gz XZGCEKRRUBLIHN-MCIONIFRSA-N 2 2 340.424 -2.136 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764822 794354843 /nfs/dbraw/zinc/35/48/43/794354843.db2.gz XZGCEKRRUBLIHN-MCIONIFRSA-N 2 2 340.424 -2.136 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764823 794354724 /nfs/dbraw/zinc/35/47/24/794354724.db2.gz XZGCEKRRUBLIHN-MJBXVCDLSA-N 2 2 340.424 -2.136 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764823 794354721 /nfs/dbraw/zinc/35/47/21/794354721.db2.gz XZGCEKRRUBLIHN-MJBXVCDLSA-N 2 2 340.424 -2.136 20 30 EAEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771272 794356710 /nfs/dbraw/zinc/35/67/10/794356710.db2.gz LQUKPXAAVCOOFJ-MCIONIFRSA-N 2 2 336.436 -1.066 20 30 EAEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771272 794356702 /nfs/dbraw/zinc/35/67/02/794356702.db2.gz LQUKPXAAVCOOFJ-MCIONIFRSA-N 2 2 336.436 -1.066 20 30 EAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771273 794356149 /nfs/dbraw/zinc/35/61/49/794356149.db2.gz LQUKPXAAVCOOFJ-MJBXVCDLSA-N 2 2 336.436 -1.066 20 30 EAEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771273 794356140 /nfs/dbraw/zinc/35/61/40/794356140.db2.gz LQUKPXAAVCOOFJ-MJBXVCDLSA-N 2 2 336.436 -1.066 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771332 794357212 /nfs/dbraw/zinc/35/72/12/794357212.db2.gz OJIKMJRJBBOIOO-MCIONIFRSA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771332 794357204 /nfs/dbraw/zinc/35/72/04/794357204.db2.gz OJIKMJRJBBOIOO-MCIONIFRSA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771333 794357378 /nfs/dbraw/zinc/35/73/78/794357378.db2.gz OJIKMJRJBBOIOO-MJBXVCDLSA-N 2 2 334.420 -1.619 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771333 794357368 /nfs/dbraw/zinc/35/73/68/794357368.db2.gz OJIKMJRJBBOIOO-MJBXVCDLSA-N 2 2 334.420 -1.619 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985726 794393913 /nfs/dbraw/zinc/39/39/13/794393913.db2.gz CVDQMFMQJNMZBR-OAGGEKHMSA-N 2 2 339.436 -1.234 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985726 794393901 /nfs/dbraw/zinc/39/39/01/794393901.db2.gz CVDQMFMQJNMZBR-OAGGEKHMSA-N 2 2 339.436 -1.234 20 30 EAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985727 794394607 /nfs/dbraw/zinc/39/46/07/794394607.db2.gz CVDQMFMQJNMZBR-XHSDSOJGSA-N 2 2 339.436 -1.234 20 30 EAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985727 794394601 /nfs/dbraw/zinc/39/46/01/794394601.db2.gz CVDQMFMQJNMZBR-XHSDSOJGSA-N 2 2 339.436 -1.234 20 30 EAEDLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221946854 794457189 /nfs/dbraw/zinc/45/71/89/794457189.db2.gz GBHJSEPYFJDSOU-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221946854 794457185 /nfs/dbraw/zinc/45/71/85/794457185.db2.gz GBHJSEPYFJDSOU-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946967 794456580 /nfs/dbraw/zinc/45/65/80/794456580.db2.gz LCGCEEDHEOYQDE-HUUCEWRRSA-N 2 2 336.436 -1.153 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946967 794456573 /nfs/dbraw/zinc/45/65/73/794456573.db2.gz LCGCEEDHEOYQDE-HUUCEWRRSA-N 2 2 336.436 -1.153 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488702 794464723 /nfs/dbraw/zinc/46/47/23/794464723.db2.gz BCAFUCGKGGEXCI-OWCLPIDISA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488702 794464721 /nfs/dbraw/zinc/46/47/21/794464721.db2.gz BCAFUCGKGGEXCI-OWCLPIDISA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488702 794464718 /nfs/dbraw/zinc/46/47/18/794464718.db2.gz BCAFUCGKGGEXCI-OWCLPIDISA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488702 794464715 /nfs/dbraw/zinc/46/47/15/794464715.db2.gz BCAFUCGKGGEXCI-OWCLPIDISA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488703 794464968 /nfs/dbraw/zinc/46/49/68/794464968.db2.gz BCAFUCGKGGEXCI-PMPSAXMXSA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488703 794464963 /nfs/dbraw/zinc/46/49/63/794464963.db2.gz BCAFUCGKGGEXCI-PMPSAXMXSA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488703 794464961 /nfs/dbraw/zinc/46/49/61/794464961.db2.gz BCAFUCGKGGEXCI-PMPSAXMXSA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488703 794464956 /nfs/dbraw/zinc/46/49/56/794464956.db2.gz BCAFUCGKGGEXCI-PMPSAXMXSA-N 2 2 348.447 -1.011 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682187 794466356 /nfs/dbraw/zinc/46/63/56/794466356.db2.gz HHXAKMKQZHIGAM-HNNXBMFYSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682187 794466349 /nfs/dbraw/zinc/46/63/49/794466349.db2.gz HHXAKMKQZHIGAM-HNNXBMFYSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682188 794467569 /nfs/dbraw/zinc/46/75/69/794467569.db2.gz HHXAKMKQZHIGAM-OAHLLOKOSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682188 794467567 /nfs/dbraw/zinc/46/75/67/794467567.db2.gz HHXAKMKQZHIGAM-OAHLLOKOSA-N 2 2 336.436 -1.105 20 30 EAEDLP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001222682543 794467210 /nfs/dbraw/zinc/46/72/10/794467210.db2.gz XHCVNDAAALQZHJ-AWEZNQCLSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001222682543 794467206 /nfs/dbraw/zinc/46/72/06/794467206.db2.gz XHCVNDAAALQZHJ-AWEZNQCLSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001222682544 794467025 /nfs/dbraw/zinc/46/70/25/794467025.db2.gz XHCVNDAAALQZHJ-CQSZACIVSA-N 2 2 337.424 -1.215 20 30 EAEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001222682544 794467015 /nfs/dbraw/zinc/46/70/15/794467015.db2.gz XHCVNDAAALQZHJ-CQSZACIVSA-N 2 2 337.424 -1.215 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227849018 794519752 /nfs/dbraw/zinc/51/97/52/794519752.db2.gz IJFQHDOERSZKJB-ZDUSSCGKSA-N 2 2 335.408 -1.141 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227849018 794519746 /nfs/dbraw/zinc/51/97/46/794519746.db2.gz IJFQHDOERSZKJB-ZDUSSCGKSA-N 2 2 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C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(=O)NC ZINC001264996680 794839433 /nfs/dbraw/zinc/83/94/33/794839433.db2.gz NOGCIXATKDZIER-ZDUSSCGKSA-N 2 2 337.424 -1.022 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NC(=O)NC ZINC001264996680 794839425 /nfs/dbraw/zinc/83/94/25/794839425.db2.gz NOGCIXATKDZIER-ZDUSSCGKSA-N 2 2 337.424 -1.022 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001264996680 794839418 /nfs/dbraw/zinc/83/94/18/794839418.db2.gz NOGCIXATKDZIER-ZDUSSCGKSA-N 2 2 337.424 -1.022 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001265263186 794853806 /nfs/dbraw/zinc/85/38/06/794853806.db2.gz WDWSPZASGYPTBX-HNNXBMFYSA-N 2 2 337.468 -1.190 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001265263187 794854591 /nfs/dbraw/zinc/85/45/91/794854591.db2.gz WDWSPZASGYPTBX-OAHLLOKOSA-N 2 2 337.468 -1.190 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359113 785095949 /nfs/dbraw/zinc/09/59/49/785095949.db2.gz NZMZHPIHHVGOLE-CABCVRRESA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359113 785095940 /nfs/dbraw/zinc/09/59/40/785095940.db2.gz NZMZHPIHHVGOLE-CABCVRRESA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359114 785097974 /nfs/dbraw/zinc/09/79/74/785097974.db2.gz NZMZHPIHHVGOLE-GJZGRUSLSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359114 785097963 /nfs/dbraw/zinc/09/79/63/785097963.db2.gz NZMZHPIHHVGOLE-GJZGRUSLSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359115 785097323 /nfs/dbraw/zinc/09/73/23/785097323.db2.gz NZMZHPIHHVGOLE-HUUCEWRRSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359115 785097312 /nfs/dbraw/zinc/09/73/12/785097312.db2.gz NZMZHPIHHVGOLE-HUUCEWRRSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359116 785097435 /nfs/dbraw/zinc/09/74/35/785097435.db2.gz NZMZHPIHHVGOLE-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359116 785097424 /nfs/dbraw/zinc/09/74/24/785097424.db2.gz NZMZHPIHHVGOLE-LSDHHAIUSA-N 2 2 336.436 -1.105 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267639017 785267751 /nfs/dbraw/zinc/26/77/51/785267751.db2.gz WUEKLOKUYNNWAI-KBPBESRZSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267639017 785267742 /nfs/dbraw/zinc/26/77/42/785267742.db2.gz WUEKLOKUYNNWAI-KBPBESRZSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267639017 785267737 /nfs/dbraw/zinc/26/77/37/785267737.db2.gz WUEKLOKUYNNWAI-KBPBESRZSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267639017 785267733 /nfs/dbraw/zinc/26/77/33/785267733.db2.gz WUEKLOKUYNNWAI-KBPBESRZSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267639018 785267904 /nfs/dbraw/zinc/26/79/04/785267904.db2.gz WUEKLOKUYNNWAI-KGLIPLIRSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267639018 785267897 /nfs/dbraw/zinc/26/78/97/785267897.db2.gz WUEKLOKUYNNWAI-KGLIPLIRSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267639018 785267891 /nfs/dbraw/zinc/26/78/91/785267891.db2.gz WUEKLOKUYNNWAI-KGLIPLIRSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267639018 785267883 /nfs/dbraw/zinc/26/78/83/785267883.db2.gz WUEKLOKUYNNWAI-KGLIPLIRSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267639019 785268393 /nfs/dbraw/zinc/26/83/93/785268393.db2.gz WUEKLOKUYNNWAI-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267639019 785268389 /nfs/dbraw/zinc/26/83/89/785268389.db2.gz WUEKLOKUYNNWAI-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267639019 785268385 /nfs/dbraw/zinc/26/83/85/785268385.db2.gz WUEKLOKUYNNWAI-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267639019 785268378 /nfs/dbraw/zinc/26/83/78/785268378.db2.gz WUEKLOKUYNNWAI-UONOGXRCSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267639020 785268601 /nfs/dbraw/zinc/26/86/01/785268601.db2.gz WUEKLOKUYNNWAI-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267639020 785268597 /nfs/dbraw/zinc/26/85/97/785268597.db2.gz WUEKLOKUYNNWAI-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267639020 785268592 /nfs/dbraw/zinc/26/85/92/785268592.db2.gz WUEKLOKUYNNWAI-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267639020 785268583 /nfs/dbraw/zinc/26/85/83/785268583.db2.gz WUEKLOKUYNNWAI-ZIAGYGMSSA-N 2 2 337.424 -1.263 20 30 EAEDLP C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001267690803 785273383 /nfs/dbraw/zinc/27/33/83/785273383.db2.gz GHURAFQGNAUWHY-UHFFFAOYSA-N 2 2 325.413 -1.002 20 30 EAEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268315056 785408740 /nfs/dbraw/zinc/40/87/40/785408740.db2.gz CBFCIPZBGXPCAT-KFWWJZLASA-N 2 2 325.409 -1.434 20 30 EAEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268315057 785409203 /nfs/dbraw/zinc/40/92/03/785409203.db2.gz CBFCIPZBGXPCAT-ZNMIVQPWSA-N 2 2 325.409 -1.434 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268317433 785410254 /nfs/dbraw/zinc/41/02/54/785410254.db2.gz XSYNYHIFTLAAJG-GXTWGEPZSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268317438 785410354 /nfs/dbraw/zinc/41/03/54/785410354.db2.gz XSYNYHIFTLAAJG-JSGCOSHPSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268317440 785410666 /nfs/dbraw/zinc/41/06/66/785410666.db2.gz XSYNYHIFTLAAJG-OCCSQVGLSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268317441 785410964 /nfs/dbraw/zinc/41/09/64/785410964.db2.gz XSYNYHIFTLAAJG-TZMCWYRMSA-N 2 2 335.408 -1.186 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268552328 785446181 /nfs/dbraw/zinc/44/61/81/785446181.db2.gz MBCJVDUUKFPRCL-IHVVCDCBSA-N 2 2 332.408 -1.032 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268552328 785446172 /nfs/dbraw/zinc/44/61/72/785446172.db2.gz MBCJVDUUKFPRCL-IHVVCDCBSA-N 2 2 332.408 -1.032 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268552329 785445798 /nfs/dbraw/zinc/44/57/98/785445798.db2.gz MBCJVDUUKFPRCL-ZFDPJTLLSA-N 2 2 332.408 -1.032 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268552329 785445794 /nfs/dbraw/zinc/44/57/94/785445794.db2.gz MBCJVDUUKFPRCL-ZFDPJTLLSA-N 2 2 332.408 -1.032 20 30 EAEDLP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001268752246 785473795 /nfs/dbraw/zinc/47/37/95/785473795.db2.gz XZAZRQSGMZRPNT-CYBMUJFWSA-N 2 2 325.413 -1.215 20 30 EAEDLP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001268752246 785473787 /nfs/dbraw/zinc/47/37/87/785473787.db2.gz XZAZRQSGMZRPNT-CYBMUJFWSA-N 2 2 325.413 -1.215 20 30 EAEDLP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001268752248 785473984 /nfs/dbraw/zinc/47/39/84/785473984.db2.gz XZAZRQSGMZRPNT-ZDUSSCGKSA-N 2 2 325.413 -1.215 20 30 EAEDLP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001268752248 785473980 /nfs/dbraw/zinc/47/39/80/785473980.db2.gz XZAZRQSGMZRPNT-ZDUSSCGKSA-N 2 2 325.413 -1.215 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268887953 785483372 /nfs/dbraw/zinc/48/33/72/785483372.db2.gz MRMUSKNAOCGWTC-AWEZNQCLSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268887954 785482637 /nfs/dbraw/zinc/48/26/37/785482637.db2.gz MRMUSKNAOCGWTC-CQSZACIVSA-N 2 2 336.436 -1.105 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001269177980 785513991 /nfs/dbraw/zinc/51/39/91/785513991.db2.gz WBYXTJXGUPSZHB-OAHLLOKOSA-N 2 2 346.435 -1.002 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001269177980 785513985 /nfs/dbraw/zinc/51/39/85/785513985.db2.gz WBYXTJXGUPSZHB-OAHLLOKOSA-N 2 2 346.435 -1.002 20 30 EAEDLP N#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001271086996 785651168 /nfs/dbraw/zinc/65/11/68/785651168.db2.gz SZGWKMCNEJUULZ-UHFFFAOYSA-N 2 2 334.380 -1.222 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271132852 785659031 /nfs/dbraw/zinc/65/90/31/785659031.db2.gz UEPZZHYTMRSXND-BBRMVZONSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271132852 785659027 /nfs/dbraw/zinc/65/90/27/785659027.db2.gz UEPZZHYTMRSXND-BBRMVZONSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001271132852 785659021 /nfs/dbraw/zinc/65/90/21/785659021.db2.gz UEPZZHYTMRSXND-BBRMVZONSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001271132852 785659014 /nfs/dbraw/zinc/65/90/14/785659014.db2.gz UEPZZHYTMRSXND-BBRMVZONSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271132853 785658581 /nfs/dbraw/zinc/65/85/81/785658581.db2.gz UEPZZHYTMRSXND-CJNGLKHVSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271132853 785658578 /nfs/dbraw/zinc/65/85/78/785658578.db2.gz UEPZZHYTMRSXND-CJNGLKHVSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001271132853 785658573 /nfs/dbraw/zinc/65/85/73/785658573.db2.gz UEPZZHYTMRSXND-CJNGLKHVSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001271132853 785658568 /nfs/dbraw/zinc/65/85/68/785658568.db2.gz UEPZZHYTMRSXND-CJNGLKHVSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271132854 785658934 /nfs/dbraw/zinc/65/89/34/785658934.db2.gz UEPZZHYTMRSXND-CZUORRHYSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271132854 785658932 /nfs/dbraw/zinc/65/89/32/785658932.db2.gz UEPZZHYTMRSXND-CZUORRHYSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001271132854 785658928 /nfs/dbraw/zinc/65/89/28/785658928.db2.gz UEPZZHYTMRSXND-CZUORRHYSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001271132854 785658923 /nfs/dbraw/zinc/65/89/23/785658923.db2.gz UEPZZHYTMRSXND-CZUORRHYSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271132855 785658612 /nfs/dbraw/zinc/65/86/12/785658612.db2.gz UEPZZHYTMRSXND-XJKSGUPXSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271132855 785658608 /nfs/dbraw/zinc/65/86/08/785658608.db2.gz UEPZZHYTMRSXND-XJKSGUPXSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001271132855 785658605 /nfs/dbraw/zinc/65/86/05/785658605.db2.gz UEPZZHYTMRSXND-XJKSGUPXSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001271132855 785658601 /nfs/dbraw/zinc/65/86/01/785658601.db2.gz UEPZZHYTMRSXND-XJKSGUPXSA-N 2 2 338.408 -2.381 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001271158430 785664850 /nfs/dbraw/zinc/66/48/50/785664850.db2.gz BDDNBWUGCNZELM-WMLDXEAASA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001271158430 785664848 /nfs/dbraw/zinc/66/48/48/785664848.db2.gz BDDNBWUGCNZELM-WMLDXEAASA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001271158430 785664847 /nfs/dbraw/zinc/66/48/47/785664847.db2.gz BDDNBWUGCNZELM-WMLDXEAASA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001271158430 785664846 /nfs/dbraw/zinc/66/48/46/785664846.db2.gz BDDNBWUGCNZELM-WMLDXEAASA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001271158431 785664887 /nfs/dbraw/zinc/66/48/87/785664887.db2.gz BDDNBWUGCNZELM-YOEHRIQHSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)N(C)C)C1 ZINC001271158431 785664883 /nfs/dbraw/zinc/66/48/83/785664883.db2.gz BDDNBWUGCNZELM-YOEHRIQHSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001271158431 785664882 /nfs/dbraw/zinc/66/48/82/785664882.db2.gz BDDNBWUGCNZELM-YOEHRIQHSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001271158431 785664881 /nfs/dbraw/zinc/66/48/81/785664881.db2.gz BDDNBWUGCNZELM-YOEHRIQHSA-N 2 2 336.436 -1.275 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C[C@H](O)COC)C1 ZINC001271159464 785665069 /nfs/dbraw/zinc/66/50/69/785665069.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C[C@H](O)COC)C1 ZINC001271159464 785665067 /nfs/dbraw/zinc/66/50/67/785665067.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1 ZINC001271159464 785665063 /nfs/dbraw/zinc/66/50/63/785665063.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001271159464 785665060 /nfs/dbraw/zinc/66/50/60/785665060.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C[C@H](O)COC)C1 ZINC001271159470 785664833 /nfs/dbraw/zinc/66/48/33/785664833.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C[C@H](O)COC)C1 ZINC001271159470 785664830 /nfs/dbraw/zinc/66/48/30/785664830.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1 ZINC001271159470 785664827 /nfs/dbraw/zinc/66/48/27/785664827.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001271159470 785664824 /nfs/dbraw/zinc/66/48/24/785664824.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 2 339.436 -1.356 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177271 785671732 /nfs/dbraw/zinc/67/17/32/785671732.db2.gz WYQRJLGNBHUBMC-PBHICJAKSA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177271 785671728 /nfs/dbraw/zinc/67/17/28/785671728.db2.gz WYQRJLGNBHUBMC-PBHICJAKSA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177277 785672118 /nfs/dbraw/zinc/67/21/18/785672118.db2.gz WYQRJLGNBHUBMC-RHSMWYFYSA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177277 785672113 /nfs/dbraw/zinc/67/21/13/785672113.db2.gz WYQRJLGNBHUBMC-RHSMWYFYSA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177282 785671330 /nfs/dbraw/zinc/67/13/30/785671330.db2.gz WYQRJLGNBHUBMC-WMLDXEAASA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177282 785671324 /nfs/dbraw/zinc/67/13/24/785671324.db2.gz WYQRJLGNBHUBMC-WMLDXEAASA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177287 785671922 /nfs/dbraw/zinc/67/19/22/785671922.db2.gz WYQRJLGNBHUBMC-YOEHRIQHSA-N 2 2 347.419 -1.036 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001271177287 785671917 /nfs/dbraw/zinc/67/19/17/785671917.db2.gz WYQRJLGNBHUBMC-YOEHRIQHSA-N 2 2 347.419 -1.036 20 30 EAEDLP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001271184213 785675171 /nfs/dbraw/zinc/67/51/71/785675171.db2.gz JDPURZDWBYEBET-HNNXBMFYSA-N 2 2 325.413 -1.479 20 30 EAEDLP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001271184213 785675163 /nfs/dbraw/zinc/67/51/63/785675163.db2.gz JDPURZDWBYEBET-HNNXBMFYSA-N 2 2 325.413 -1.479 20 30 EAEDLP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001271184214 785674525 /nfs/dbraw/zinc/67/45/25/785674525.db2.gz JDPURZDWBYEBET-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001271184214 785674521 /nfs/dbraw/zinc/67/45/21/785674521.db2.gz JDPURZDWBYEBET-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001271207133 785679401 /nfs/dbraw/zinc/67/94/01/785679401.db2.gz ABFIOTZSLHSHBA-BBRMVZONSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001271207133 785679397 /nfs/dbraw/zinc/67/93/97/785679397.db2.gz ABFIOTZSLHSHBA-BBRMVZONSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207133 785679391 /nfs/dbraw/zinc/67/93/91/785679391.db2.gz ABFIOTZSLHSHBA-BBRMVZONSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207133 785679383 /nfs/dbraw/zinc/67/93/83/785679383.db2.gz ABFIOTZSLHSHBA-BBRMVZONSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001271207137 785679781 /nfs/dbraw/zinc/67/97/81/785679781.db2.gz ABFIOTZSLHSHBA-CJNGLKHVSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001271207137 785679775 /nfs/dbraw/zinc/67/97/75/785679775.db2.gz ABFIOTZSLHSHBA-CJNGLKHVSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207137 785679772 /nfs/dbraw/zinc/67/97/72/785679772.db2.gz ABFIOTZSLHSHBA-CJNGLKHVSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207137 785679765 /nfs/dbraw/zinc/67/97/65/785679765.db2.gz ABFIOTZSLHSHBA-CJNGLKHVSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001271207139 785679053 /nfs/dbraw/zinc/67/90/53/785679053.db2.gz ABFIOTZSLHSHBA-CZUORRHYSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001271207139 785679049 /nfs/dbraw/zinc/67/90/49/785679049.db2.gz ABFIOTZSLHSHBA-CZUORRHYSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207139 785679043 /nfs/dbraw/zinc/67/90/43/785679043.db2.gz ABFIOTZSLHSHBA-CZUORRHYSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207139 785679038 /nfs/dbraw/zinc/67/90/38/785679038.db2.gz ABFIOTZSLHSHBA-CZUORRHYSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001271207140 785678699 /nfs/dbraw/zinc/67/86/99/785678699.db2.gz ABFIOTZSLHSHBA-XJKSGUPXSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001271207140 785678695 /nfs/dbraw/zinc/67/86/95/785678695.db2.gz ABFIOTZSLHSHBA-XJKSGUPXSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207140 785678692 /nfs/dbraw/zinc/67/86/92/785678692.db2.gz ABFIOTZSLHSHBA-XJKSGUPXSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001271207140 785678689 /nfs/dbraw/zinc/67/86/89/785678689.db2.gz ABFIOTZSLHSHBA-XJKSGUPXSA-N 2 2 337.424 -1.479 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228326 785683257 /nfs/dbraw/zinc/68/32/57/785683257.db2.gz LGNOOCCAYIWJJR-BBRMVZONSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228326 785683247 /nfs/dbraw/zinc/68/32/47/785683247.db2.gz LGNOOCCAYIWJJR-BBRMVZONSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228327 785683026 /nfs/dbraw/zinc/68/30/26/785683026.db2.gz LGNOOCCAYIWJJR-CJNGLKHVSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228327 785683021 /nfs/dbraw/zinc/68/30/21/785683021.db2.gz LGNOOCCAYIWJJR-CJNGLKHVSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228328 785683295 /nfs/dbraw/zinc/68/32/95/785683295.db2.gz LGNOOCCAYIWJJR-CZUORRHYSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228328 785683289 /nfs/dbraw/zinc/68/32/89/785683289.db2.gz LGNOOCCAYIWJJR-CZUORRHYSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228329 785683131 /nfs/dbraw/zinc/68/31/31/785683131.db2.gz LGNOOCCAYIWJJR-XJKSGUPXSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228329 785683126 /nfs/dbraw/zinc/68/31/26/785683126.db2.gz LGNOOCCAYIWJJR-XJKSGUPXSA-N 2 2 333.392 -1.426 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001271393374 785702291 /nfs/dbraw/zinc/70/22/91/785702291.db2.gz NXIIGFRWXNKZEH-OAHLLOKOSA-N 2 2 339.436 -1.498 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272136211 785799277 /nfs/dbraw/zinc/79/92/77/785799277.db2.gz JZPCXCJHAPTTGG-KBPBESRZSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272136211 785799272 /nfs/dbraw/zinc/79/92/72/785799272.db2.gz JZPCXCJHAPTTGG-KBPBESRZSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272136212 785798981 /nfs/dbraw/zinc/79/89/81/785798981.db2.gz JZPCXCJHAPTTGG-KGLIPLIRSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272136212 785798973 /nfs/dbraw/zinc/79/89/73/785798973.db2.gz JZPCXCJHAPTTGG-KGLIPLIRSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272136213 785799345 /nfs/dbraw/zinc/79/93/45/785799345.db2.gz JZPCXCJHAPTTGG-UONOGXRCSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272136213 785799342 /nfs/dbraw/zinc/79/93/42/785799342.db2.gz JZPCXCJHAPTTGG-UONOGXRCSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272136214 785799237 /nfs/dbraw/zinc/79/92/37/785799237.db2.gz JZPCXCJHAPTTGG-ZIAGYGMSSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272136214 785799232 /nfs/dbraw/zinc/79/92/32/785799232.db2.gz JZPCXCJHAPTTGG-ZIAGYGMSSA-N 2 2 340.424 -2.135 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272136325 785798083 /nfs/dbraw/zinc/79/80/83/785798083.db2.gz NUJWGBHYYDCEOH-CYBMUJFWSA-N 2 2 326.397 -2.523 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272136325 785798078 /nfs/dbraw/zinc/79/80/78/785798078.db2.gz NUJWGBHYYDCEOH-CYBMUJFWSA-N 2 2 326.397 -2.523 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272136326 785798171 /nfs/dbraw/zinc/79/81/71/785798171.db2.gz NUJWGBHYYDCEOH-ZDUSSCGKSA-N 2 2 326.397 -2.523 20 30 EAEDLP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272136326 785798167 /nfs/dbraw/zinc/79/81/67/785798167.db2.gz NUJWGBHYYDCEOH-ZDUSSCGKSA-N 2 2 326.397 -2.523 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272197796 785810956 /nfs/dbraw/zinc/81/09/56/785810956.db2.gz WHRMMPJIOQQCEB-CYBMUJFWSA-N 2 2 348.407 -1.504 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272197801 785810992 /nfs/dbraw/zinc/81/09/92/785810992.db2.gz WHRMMPJIOQQCEB-ZDUSSCGKSA-N 2 2 348.407 -1.504 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444881 785974476 /nfs/dbraw/zinc/97/44/76/785974476.db2.gz XJLSSYBZFSOVOW-CABCVRRESA-N 2 2 334.424 -1.038 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444881 785974473 /nfs/dbraw/zinc/97/44/73/785974473.db2.gz XJLSSYBZFSOVOW-CABCVRRESA-N 2 2 334.424 -1.038 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444884 785973910 /nfs/dbraw/zinc/97/39/10/785973910.db2.gz XJLSSYBZFSOVOW-GJZGRUSLSA-N 2 2 334.424 -1.038 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444884 785973902 /nfs/dbraw/zinc/97/39/02/785973902.db2.gz XJLSSYBZFSOVOW-GJZGRUSLSA-N 2 2 334.424 -1.038 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272452355 785974701 /nfs/dbraw/zinc/97/47/01/785974701.db2.gz HWTJZOBQTUUZGB-GXTWGEPZSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272452360 785974640 /nfs/dbraw/zinc/97/46/40/785974640.db2.gz HWTJZOBQTUUZGB-JSGCOSHPSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272452362 785974115 /nfs/dbraw/zinc/97/41/15/785974115.db2.gz HWTJZOBQTUUZGB-OCCSQVGLSA-N 2 2 335.408 -1.186 20 30 EAEDLP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272452364 785973927 /nfs/dbraw/zinc/97/39/27/785973927.db2.gz HWTJZOBQTUUZGB-TZMCWYRMSA-N 2 2 335.408 -1.186 20 30 EAEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001272479576 785980279 /nfs/dbraw/zinc/98/02/79/785980279.db2.gz MYTVBIKOPGFVHD-OAGGEKHMSA-N 2 2 339.436 -1.044 20 30 EAEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001272479577 785979724 /nfs/dbraw/zinc/97/97/24/785979724.db2.gz MYTVBIKOPGFVHD-XHSDSOJGSA-N 2 2 339.436 -1.044 20 30 EAEDLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001272943958 786154315 /nfs/dbraw/zinc/15/43/15/786154315.db2.gz AVSXRAYSDAVRDU-KGLIPLIRSA-N 2 2 337.424 -1.073 20 30 EAEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001272943958 786154312 /nfs/dbraw/zinc/15/43/12/786154312.db2.gz AVSXRAYSDAVRDU-KGLIPLIRSA-N 2 2 337.424 -1.073 20 30 EAEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001272943959 786154326 /nfs/dbraw/zinc/15/43/26/786154326.db2.gz AVSXRAYSDAVRDU-ZIAGYGMSSA-N 2 2 337.424 -1.073 20 30 EAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001272943959 786154324 /nfs/dbraw/zinc/15/43/24/786154324.db2.gz AVSXRAYSDAVRDU-ZIAGYGMSSA-N 2 2 337.424 -1.073 20 30 EAEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001273268097 786426304 /nfs/dbraw/zinc/42/63/04/786426304.db2.gz MMCLZPRQRBTTDP-CYBMUJFWSA-N 2 2 334.380 -1.201 20 30 EAEDLP N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001273268099 786426580 /nfs/dbraw/zinc/42/65/80/786426580.db2.gz MMCLZPRQRBTTDP-ZDUSSCGKSA-N 2 2 334.380 -1.201 20 30 EAEDLP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001273867919 791346914 /nfs/dbraw/zinc/34/69/14/791346914.db2.gz XQMGXVYUDFOCRU-DOTOQJQBSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001273867919 791346909 /nfs/dbraw/zinc/34/69/09/791346909.db2.gz XQMGXVYUDFOCRU-DOTOQJQBSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001273867920 791346290 /nfs/dbraw/zinc/34/62/90/791346290.db2.gz XQMGXVYUDFOCRU-NVXWUHKLSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001273867920 791346286 /nfs/dbraw/zinc/34/62/86/791346286.db2.gz XQMGXVYUDFOCRU-NVXWUHKLSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001273867921 791346471 /nfs/dbraw/zinc/34/64/71/791346471.db2.gz XQMGXVYUDFOCRU-RDJZCZTQSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001273867921 791346462 /nfs/dbraw/zinc/34/64/62/791346462.db2.gz XQMGXVYUDFOCRU-RDJZCZTQSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001273867922 791346055 /nfs/dbraw/zinc/34/60/55/791346055.db2.gz XQMGXVYUDFOCRU-WBVHZDCISA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001273867922 791346050 /nfs/dbraw/zinc/34/60/50/791346050.db2.gz XQMGXVYUDFOCRU-WBVHZDCISA-N 2 2 339.436 -1.090 20 30 EAEDLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273928429 791400037 /nfs/dbraw/zinc/40/00/37/791400037.db2.gz AFSBZLBMNNAMGG-INIZCTEOSA-N 2 2 348.407 -1.157 20 30 EAEDLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273928430 791399654 /nfs/dbraw/zinc/39/96/54/791399654.db2.gz AFSBZLBMNNAMGG-MRXNPFEDSA-N 2 2 348.407 -1.157 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001273935368 791405756 /nfs/dbraw/zinc/40/57/56/791405756.db2.gz AOVBPSLUPOMCLG-HNNXBMFYSA-N 2 2 334.380 -1.534 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001273935369 791406526 /nfs/dbraw/zinc/40/65/26/791406526.db2.gz AOVBPSLUPOMCLG-OAHLLOKOSA-N 2 2 334.380 -1.534 20 30 EAEDLP N#CCNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001274002712 791457917 /nfs/dbraw/zinc/45/79/17/791457917.db2.gz ONHJKQNRFYIDIW-UHFFFAOYSA-N 2 2 334.380 -1.153 20 30 EAEDLP C#CCNC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001274006274 791459961 /nfs/dbraw/zinc/45/99/61/791459961.db2.gz FSGYBKHITXPDHM-UHFFFAOYSA-N 2 2 333.392 -1.043 20 30 EAEDLP C#CCNC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001274021510 791460015 /nfs/dbraw/zinc/46/00/15/791460015.db2.gz XREIUMRGDXNIGB-UHFFFAOYSA-N 2 2 333.392 -1.113 20 30 EAEDLP C#CCOC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274554105 791490003 /nfs/dbraw/zinc/49/00/03/791490003.db2.gz GYZBUJKYPUDJAY-AWEZNQCLSA-N 2 2 325.409 -1.528 20 30 EAEDLP C#CCOC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274554106 791490383 /nfs/dbraw/zinc/49/03/83/791490383.db2.gz GYZBUJKYPUDJAY-CQSZACIVSA-N 2 2 325.409 -1.528 20 30 EAEDLP C[NH+](C)CCCC(=O)NC1(CO)CC[NH+](CC(=O)NCC#N)CC1 ZINC001274923849 791520605 /nfs/dbraw/zinc/52/06/05/791520605.db2.gz LXTHAMBNYLTYKE-UHFFFAOYSA-N 2 2 339.440 -1.089 20 30 EAEDLP C#CCNC(=O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001274942210 791522480 /nfs/dbraw/zinc/52/24/80/791522480.db2.gz UZLAIYWZVUARMU-UHFFFAOYSA-N 2 2 336.436 -1.225 20 30 EAEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001275720597 791552281 /nfs/dbraw/zinc/55/22/81/791552281.db2.gz JPPNJPUJPZYKAT-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 EAEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC#N)C1 ZINC001275720597 791552275 /nfs/dbraw/zinc/55/22/75/791552275.db2.gz JPPNJPUJPZYKAT-CHWSQXEVSA-N 2 2 325.413 -1.217 20 30 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794717961 /nfs/dbraw/zinc/71/79/61/794717961.db2.gz SBZVGOOOVUMFKD-HNNXBMFYSA-N 2 2 325.413 -1.479 20 30 EAEDLP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001278816551 794717959 /nfs/dbraw/zinc/71/79/59/794717959.db2.gz SBZVGOOOVUMFKD-HNNXBMFYSA-N 2 2 325.413 -1.479 20 30 EAEDLP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278816552 794719283 /nfs/dbraw/zinc/71/92/83/794719283.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278816552 794719281 /nfs/dbraw/zinc/71/92/81/794719281.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001278816552 794719277 /nfs/dbraw/zinc/71/92/77/794719277.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(=O)NCC#N)C1 ZINC001278816552 794719271 /nfs/dbraw/zinc/71/92/71/794719271.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 2 2 325.413 -1.479 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816669 794718907 /nfs/dbraw/zinc/71/89/07/794718907.db2.gz VRFKJMGZFVTQDZ-CXAGYDPISA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816669 794718903 /nfs/dbraw/zinc/71/89/03/794718903.db2.gz VRFKJMGZFVTQDZ-CXAGYDPISA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816670 794719239 /nfs/dbraw/zinc/71/92/39/794719239.db2.gz VRFKJMGZFVTQDZ-DYVFJYSZSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816670 794719234 /nfs/dbraw/zinc/71/92/34/794719234.db2.gz VRFKJMGZFVTQDZ-DYVFJYSZSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816671 794718235 /nfs/dbraw/zinc/71/82/35/794718235.db2.gz VRFKJMGZFVTQDZ-GUYCJALGSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816671 794718228 /nfs/dbraw/zinc/71/82/28/794718228.db2.gz VRFKJMGZFVTQDZ-GUYCJALGSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816672 794719198 /nfs/dbraw/zinc/71/91/98/794719198.db2.gz VRFKJMGZFVTQDZ-SUMWQHHRSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001278816672 794719193 /nfs/dbraw/zinc/71/91/93/794719193.db2.gz VRFKJMGZFVTQDZ-SUMWQHHRSA-N 2 2 347.419 -1.347 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001279731390 794905207 /nfs/dbraw/zinc/90/52/07/794905207.db2.gz PWHNNJHENXCVLU-AWEZNQCLSA-N 2 2 334.424 -1.177 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001279731390 794905201 /nfs/dbraw/zinc/90/52/01/794905201.db2.gz PWHNNJHENXCVLU-AWEZNQCLSA-N 2 2 334.424 -1.177 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001279745234 794905480 /nfs/dbraw/zinc/90/54/80/794905480.db2.gz BFBOQCQMJFDUOE-CYBMUJFWSA-N 2 2 348.407 -1.504 20 30 EAEDLP N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001279745235 794905049 /nfs/dbraw/zinc/90/50/49/794905049.db2.gz BFBOQCQMJFDUOE-ZDUSSCGKSA-N 2 2 348.407 -1.504 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)CC1 ZINC001279911504 794911072 /nfs/dbraw/zinc/91/10/72/794911072.db2.gz JUFCZTHHZZGVGS-UHFFFAOYSA-N 2 2 349.439 -1.534 20 30 EAEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570386 794928091 /nfs/dbraw/zinc/92/80/91/794928091.db2.gz OPKVYHUOWUGRLZ-CHWSQXEVSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570386 794928082 /nfs/dbraw/zinc/92/80/82/794928082.db2.gz OPKVYHUOWUGRLZ-CHWSQXEVSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570387 794928802 /nfs/dbraw/zinc/92/88/02/794928802.db2.gz OPKVYHUOWUGRLZ-OLZOCXBDSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570387 794928799 /nfs/dbraw/zinc/92/87/99/794928799.db2.gz OPKVYHUOWUGRLZ-OLZOCXBDSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570389 794928687 /nfs/dbraw/zinc/92/86/87/794928687.db2.gz OPKVYHUOWUGRLZ-QWHCGFSZSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570389 794928686 /nfs/dbraw/zinc/92/86/86/794928686.db2.gz OPKVYHUOWUGRLZ-QWHCGFSZSA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570390 794928416 /nfs/dbraw/zinc/92/84/16/794928416.db2.gz OPKVYHUOWUGRLZ-STQMWFEESA-N 2 2 339.396 -2.226 20 30 EAEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570390 794928412 /nfs/dbraw/zinc/92/84/12/794928412.db2.gz OPKVYHUOWUGRLZ-STQMWFEESA-N 2 2 339.396 -2.226 20 30 EAEDLP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280619066 794929636 /nfs/dbraw/zinc/92/96/36/794929636.db2.gz GNGRWMZMPNGFOF-AWEZNQCLSA-N 2 2 333.392 -1.160 20 30 EAEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280619067 794929413 /nfs/dbraw/zinc/92/94/13/794929413.db2.gz GNGRWMZMPNGFOF-CQSZACIVSA-N 2 2 333.392 -1.160 20 30 EAEDLP C#CCNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280690284 794935506 /nfs/dbraw/zinc/93/55/06/794935506.db2.gz CEEDRILSYHGADV-INIZCTEOSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CCNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280690288 794935338 /nfs/dbraw/zinc/93/53/38/794935338.db2.gz CEEDRILSYHGADV-MRXNPFEDSA-N 2 2 349.479 -1.094 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001281083794 794964406 /nfs/dbraw/zinc/96/44/06/794964406.db2.gz ZVKHYWBRQXUORP-CABCVRRESA-N 2 2 336.436 -1.227 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001281083794 794964399 /nfs/dbraw/zinc/96/43/99/794964399.db2.gz ZVKHYWBRQXUORP-CABCVRRESA-N 2 2 336.436 -1.227 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001281083796 794964556 /nfs/dbraw/zinc/96/45/56/794964556.db2.gz ZVKHYWBRQXUORP-GJZGRUSLSA-N 2 2 336.436 -1.227 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001281083796 794964548 /nfs/dbraw/zinc/96/45/48/794964548.db2.gz ZVKHYWBRQXUORP-GJZGRUSLSA-N 2 2 336.436 -1.227 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001281093977 794968929 /nfs/dbraw/zinc/96/89/29/794968929.db2.gz KRVHCNQGGODCOH-CABCVRRESA-N 2 2 347.419 -1.118 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001281093977 794968928 /nfs/dbraw/zinc/96/89/28/794968928.db2.gz KRVHCNQGGODCOH-CABCVRRESA-N 2 2 347.419 -1.118 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001281093978 794968504 /nfs/dbraw/zinc/96/85/04/794968504.db2.gz KRVHCNQGGODCOH-GJZGRUSLSA-N 2 2 347.419 -1.118 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001281093978 794968498 /nfs/dbraw/zinc/96/84/98/794968498.db2.gz KRVHCNQGGODCOH-GJZGRUSLSA-N 2 2 347.419 -1.118 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281114096 794980154 /nfs/dbraw/zinc/98/01/54/794980154.db2.gz YBAKIMGLTQEKMA-AWEZNQCLSA-N 2 2 347.419 -1.109 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281114097 794980097 /nfs/dbraw/zinc/98/00/97/794980097.db2.gz YBAKIMGLTQEKMA-CQSZACIVSA-N 2 2 347.419 -1.109 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001281121676 794982506 /nfs/dbraw/zinc/98/25/06/794982506.db2.gz JUVGLEWRLHOMMB-HNNXBMFYSA-N 2 2 347.419 -1.109 20 30 EAEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001281121677 794982709 /nfs/dbraw/zinc/98/27/09/794982709.db2.gz JUVGLEWRLHOMMB-OAHLLOKOSA-N 2 2 347.419 -1.109 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001281166674 794985477 /nfs/dbraw/zinc/98/54/77/794985477.db2.gz FXQZURWTMLDKPX-HNNXBMFYSA-N 2 2 334.380 -1.465 20 30 EAEDLP N#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001281166675 794985046 /nfs/dbraw/zinc/98/50/46/794985046.db2.gz FXQZURWTMLDKPX-OAHLLOKOSA-N 2 2 334.380 -1.465 20 30 EAEDLP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001281626579 795023158 /nfs/dbraw/zinc/02/31/58/795023158.db2.gz INGFSTBMVFBGHJ-UHFFFAOYSA-N 2 2 347.419 -1.034 20 30 EAEDLP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001281636620 795024880 /nfs/dbraw/zinc/02/48/80/795024880.db2.gz MREDLFWCUSSXDY-UHFFFAOYSA-N 2 2 333.392 -1.355 20 30 EAEDLP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281800503 795036141 /nfs/dbraw/zinc/03/61/41/795036141.db2.gz ZBVICQCXIIMXFN-HNNXBMFYSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281800503 795036131 /nfs/dbraw/zinc/03/61/31/795036131.db2.gz ZBVICQCXIIMXFN-HNNXBMFYSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281800505 795036508 /nfs/dbraw/zinc/03/65/08/795036508.db2.gz ZBVICQCXIIMXFN-OAHLLOKOSA-N 2 2 339.436 -1.090 20 30 EAEDLP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281800505 795036494 /nfs/dbraw/zinc/03/64/94/795036494.db2.gz ZBVICQCXIIMXFN-OAHLLOKOSA-N 2 2 339.436 -1.090 20 30 EAEDLP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001281820500 795037231 /nfs/dbraw/zinc/03/72/31/795037231.db2.gz GVSQGECVNAMGSI-CYBMUJFWSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001281820500 795037220 /nfs/dbraw/zinc/03/72/20/795037220.db2.gz GVSQGECVNAMGSI-CYBMUJFWSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001281820501 795038409 /nfs/dbraw/zinc/03/84/09/795038409.db2.gz GVSQGECVNAMGSI-ZDUSSCGKSA-N 2 2 337.424 -1.479 20 30 EAEDLP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001281820501 795038403 /nfs/dbraw/zinc/03/84/03/795038403.db2.gz GVSQGECVNAMGSI-ZDUSSCGKSA-N 2 2 337.424 -1.479 20 30 EAEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001282876593 788387440 /nfs/dbraw/zinc/38/74/40/788387440.db2.gz LMSKCJJFBLZOPJ-PHZGNYQRSA-N 2 2 348.447 -1.248 20 30 EAEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001282876593 788387433 /nfs/dbraw/zinc/38/74/33/788387433.db2.gz LMSKCJJFBLZOPJ-PHZGNYQRSA-N 2 2 348.447 -1.248 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764880 788483894 /nfs/dbraw/zinc/48/38/94/788483894.db2.gz OKQVJVUNSFFRJO-MNOVXSKESA-N 2 2 325.369 -2.654 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764880 788483890 /nfs/dbraw/zinc/48/38/90/788483890.db2.gz OKQVJVUNSFFRJO-MNOVXSKESA-N 2 2 325.369 -2.654 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764886 788483933 /nfs/dbraw/zinc/48/39/33/788483933.db2.gz OKQVJVUNSFFRJO-QWRGUYRKSA-N 2 2 325.369 -2.654 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764886 788483928 /nfs/dbraw/zinc/48/39/28/788483928.db2.gz OKQVJVUNSFFRJO-QWRGUYRKSA-N 2 2 325.369 -2.654 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001284416441 788555191 /nfs/dbraw/zinc/55/51/91/788555191.db2.gz NCAKYWAMGRYKEQ-CABCVRRESA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001284416441 788555181 /nfs/dbraw/zinc/55/51/81/788555181.db2.gz NCAKYWAMGRYKEQ-CABCVRRESA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001284416442 788555879 /nfs/dbraw/zinc/55/58/79/788555879.db2.gz NCAKYWAMGRYKEQ-GJZGRUSLSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001284416442 788555871 /nfs/dbraw/zinc/55/58/71/788555871.db2.gz NCAKYWAMGRYKEQ-GJZGRUSLSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001284417860 788555324 /nfs/dbraw/zinc/55/53/24/788555324.db2.gz YOJUTTRLYHRWMS-KBPBESRZSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001284417860 788555317 /nfs/dbraw/zinc/55/53/17/788555317.db2.gz YOJUTTRLYHRWMS-KBPBESRZSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001284417861 788556241 /nfs/dbraw/zinc/55/62/41/788556241.db2.gz YOJUTTRLYHRWMS-KGLIPLIRSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001284417861 788556233 /nfs/dbraw/zinc/55/62/33/788556233.db2.gz YOJUTTRLYHRWMS-KGLIPLIRSA-N 2 2 334.424 -1.178 20 30 EAEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284433442 788558037 /nfs/dbraw/zinc/55/80/37/788558037.db2.gz XNVZHYUDNYUSDT-OAGGEKHMSA-N 2 2 339.436 -1.092 20 30 EAEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001284433443 788557993 /nfs/dbraw/zinc/55/79/93/788557993.db2.gz XNVZHYUDNYUSDT-XHSDSOJGSA-N 2 2 339.436 -1.092 20 30 EAEDLP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284448779 788561496 /nfs/dbraw/zinc/56/14/96/788561496.db2.gz SWFVOAZJTXMOHC-BFHYXJOUSA-N 2 2 347.419 -1.318 20 30 EAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284448780 788562171 /nfs/dbraw/zinc/56/21/71/788562171.db2.gz SWFVOAZJTXMOHC-MGPQQGTHSA-N 2 2 347.419 -1.318 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001284455041 788561354 /nfs/dbraw/zinc/56/13/54/788561354.db2.gz BLLSPCCAZNEGGF-GXTWGEPZSA-N 2 2 335.408 -1.491 20 30 EAEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001284455045 788561721 /nfs/dbraw/zinc/56/17/21/788561721.db2.gz BLLSPCCAZNEGGF-JSGCOSHPSA-N 2 2 335.408 -1.491 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001284455046 788561600 /nfs/dbraw/zinc/56/16/00/788561600.db2.gz BLLSPCCAZNEGGF-OCCSQVGLSA-N 2 2 335.408 -1.491 20 30 EAEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001284455048 788561627 /nfs/dbraw/zinc/56/16/27/788561627.db2.gz BLLSPCCAZNEGGF-TZMCWYRMSA-N 2 2 335.408 -1.491 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284492944 788568243 /nfs/dbraw/zinc/56/82/43/788568243.db2.gz QTMOYHHTNXVQBH-KBPBESRZSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284492944 788568238 /nfs/dbraw/zinc/56/82/38/788568238.db2.gz QTMOYHHTNXVQBH-KBPBESRZSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001284492944 788568231 /nfs/dbraw/zinc/56/82/31/788568231.db2.gz QTMOYHHTNXVQBH-KBPBESRZSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001284492944 788568225 /nfs/dbraw/zinc/56/82/25/788568225.db2.gz QTMOYHHTNXVQBH-KBPBESRZSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284492945 788569310 /nfs/dbraw/zinc/56/93/10/788569310.db2.gz QTMOYHHTNXVQBH-KGLIPLIRSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284492945 788569305 /nfs/dbraw/zinc/56/93/05/788569305.db2.gz QTMOYHHTNXVQBH-KGLIPLIRSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001284492945 788569298 /nfs/dbraw/zinc/56/92/98/788569298.db2.gz QTMOYHHTNXVQBH-KGLIPLIRSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001284492945 788569295 /nfs/dbraw/zinc/56/92/95/788569295.db2.gz QTMOYHHTNXVQBH-KGLIPLIRSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284492946 788568291 /nfs/dbraw/zinc/56/82/91/788568291.db2.gz QTMOYHHTNXVQBH-UONOGXRCSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284492946 788568285 /nfs/dbraw/zinc/56/82/85/788568285.db2.gz QTMOYHHTNXVQBH-UONOGXRCSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001284492946 788568282 /nfs/dbraw/zinc/56/82/82/788568282.db2.gz QTMOYHHTNXVQBH-UONOGXRCSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001284492946 788568271 /nfs/dbraw/zinc/56/82/71/788568271.db2.gz QTMOYHHTNXVQBH-UONOGXRCSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284492947 788569424 /nfs/dbraw/zinc/56/94/24/788569424.db2.gz QTMOYHHTNXVQBH-ZIAGYGMSSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284492947 788569415 /nfs/dbraw/zinc/56/94/15/788569415.db2.gz QTMOYHHTNXVQBH-ZIAGYGMSSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001284492947 788569405 /nfs/dbraw/zinc/56/94/05/788569405.db2.gz QTMOYHHTNXVQBH-ZIAGYGMSSA-N 2 2 340.424 -2.183 20 30 EAEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001284492947 788569395 /nfs/dbraw/zinc/56/93/95/788569395.db2.gz QTMOYHHTNXVQBH-ZIAGYGMSSA-N 2 2 340.424 -2.183 20 30 EAEDLP