smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cnc21 ZINC000050802650 1069286675 /nfs/dbraw/zinc/28/66/75/1069286675.db2.gz ZEUQQAWBKXTYQX-UHFFFAOYSA-N 1 3 400.483 -0.090 20 0 HBADHO Cn1cnc2c1c(=O)n(CC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)c(=O)n2C ZINC000050802842 1069286840 /nfs/dbraw/zinc/28/68/40/1069286840.db2.gz QIXIUJHTBTVVQS-UHFFFAOYSA-N 1 3 417.514 -0.892 20 0 HBADHO CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051758797 1069253654 /nfs/dbraw/zinc/25/36/54/1069253654.db2.gz PGUHSWNQLFGNRR-UHFFFAOYSA-N 1 3 416.592 -0.321 20 0 HBADHO C[NH+](C)CC(=O)N1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000051760900 1069253886 /nfs/dbraw/zinc/25/38/86/1069253886.db2.gz LJTNIYADRFWWPX-UHFFFAOYSA-N 1 3 409.575 -0.157 20 0 HBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995610 1070450349 /nfs/dbraw/zinc/45/03/49/1070450349.db2.gz RTYIHCSTMKMJDF-XSLAGTTESA-N 1 3 412.531 -0.792 20 0 HBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](CCOC)C3)O2)C1 ZINC000426995610 1070450344 /nfs/dbraw/zinc/45/03/44/1070450344.db2.gz RTYIHCSTMKMJDF-XSLAGTTESA-N 1 3 412.531 -0.792 20 0 HBADHO C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764938 /nfs/dbraw/zinc/76/49/38/1070764938.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764931 /nfs/dbraw/zinc/76/49/31/1070764931.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)n2)CCN1C ZINC000428021531 1068845742 /nfs/dbraw/zinc/84/57/42/1068845742.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)n2)CCN1C ZINC000428021531 1068845735 /nfs/dbraw/zinc/84/57/35/1068845735.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)ccc2=O)CC[N@H+]1C ZINC000428021533 1070764684 /nfs/dbraw/zinc/76/46/84/1070764684.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)ccc2=O)CC[N@@H+]1C ZINC000428021533 1070764675 /nfs/dbraw/zinc/76/46/75/1070764675.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)n2)CCN1C ZINC000428021536 1068845664 /nfs/dbraw/zinc/84/56/64/1068845664.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1[C@@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)n2)CCN1C ZINC000428021536 1068845651 /nfs/dbraw/zinc/84/56/51/1068845651.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000428021655 1070764787 /nfs/dbraw/zinc/76/47/87/1070764787.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000428021655 1070764778 /nfs/dbraw/zinc/76/47/78/1070764778.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)ccc2=O)[C@@H](C)C[N@@H+]1C ZINC000428021656 1070764993 /nfs/dbraw/zinc/76/49/93/1070764993.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)ccc2=O)[C@@H](C)C[N@H+]1C ZINC000428021656 1070764984 /nfs/dbraw/zinc/76/49/84/1070764984.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845970 /nfs/dbraw/zinc/84/59/70/1068845970.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845963 /nfs/dbraw/zinc/84/59/63/1068845963.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000428021658 1070764837 /nfs/dbraw/zinc/76/48/37/1070764837.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 1 3 418.542 -0.041 20 0 HBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000428021658 1070764831 /nfs/dbraw/zinc/76/48/31/1070764831.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 1 3 418.542 -0.041 20 0 HBADHO CC(C)NS(=O)(=O)NCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000428556931 1069192552 /nfs/dbraw/zinc/19/25/52/1069192552.db2.gz HRHUAKREQAOIPK-UHFFFAOYSA-N 1 3 404.581 -0.323 20 0 HBADHO CN(C/C=C/C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351750 /nfs/dbraw/zinc/35/17/50/1071351750.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C/C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351745 /nfs/dbraw/zinc/35/17/45/1071351745.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C/C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351738 /nfs/dbraw/zinc/35/17/38/1071351738.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C/C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351737 /nfs/dbraw/zinc/35/17/37/1071351737.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C\C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351694 /nfs/dbraw/zinc/35/16/94/1071351694.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C\C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351683 /nfs/dbraw/zinc/35/16/83/1071351683.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C\C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351679 /nfs/dbraw/zinc/35/16/79/1071351679.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 1 3 408.590 -0.526 20 0 HBADHO CN(C/C=C\C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351672 /nfs/dbraw/zinc/35/16/72/1071351672.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 1 3 408.590 -0.526 20 0 HBADHO C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000429683131 1071087405 /nfs/dbraw/zinc/08/74/05/1071087405.db2.gz PURFCVUFMYMOHZ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000429683131 1071087390 /nfs/dbraw/zinc/08/73/90/1071087390.db2.gz PURFCVUFMYMOHZ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000429683133 1071087700 /nfs/dbraw/zinc/08/77/00/1071087700.db2.gz PURFCVUFMYMOHZ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1CCC(=O)N1CCN(C)CC1 ZINC000429683133 1071087685 /nfs/dbraw/zinc/08/76/85/1071087685.db2.gz PURFCVUFMYMOHZ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000430996975 1068567548 /nfs/dbraw/zinc/56/75/48/1068567548.db2.gz SYAFMAAZRSCTKO-UHFFFAOYSA-N 1 3 405.547 -0.218 20 0 HBADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000430996975 1068567536 /nfs/dbraw/zinc/56/75/36/1068567536.db2.gz SYAFMAAZRSCTKO-UHFFFAOYSA-N 1 3 405.547 -0.218 20 0 HBADHO O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NCC[NH+]1CCCCCC1 ZINC000432429795 1069274085 /nfs/dbraw/zinc/27/40/85/1069274085.db2.gz HRMKYXOLVCDKCG-UHFFFAOYSA-N 1 3 422.574 -0.072 20 0 HBADHO Cc1nc(N2CCCN([C@@H](C)CO)CC2)nc(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000432827066 1069343779 /nfs/dbraw/zinc/34/37/79/1069343779.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000432827066 1069343766 /nfs/dbraw/zinc/34/37/66/1069343766.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@H](C)CO)CC2)nc(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000432827066 1069343753 /nfs/dbraw/zinc/34/37/53/1069343753.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000432827066 1069343742 /nfs/dbraw/zinc/34/37/42/1069343742.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@H](C)CO)CC2)nc(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000432827067 1069344245 /nfs/dbraw/zinc/34/42/45/1069344245.db2.gz AQQSBSJMKKAGDR-IAGOWNOFSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000432827067 1069344225 /nfs/dbraw/zinc/34/42/25/1069344225.db2.gz AQQSBSJMKKAGDR-IAGOWNOFSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@@H](C)CO)CC2)nc(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000432827068 1069343955 /nfs/dbraw/zinc/34/39/55/1069343955.db2.gz AQQSBSJMKKAGDR-IRXDYDNUSA-N 1 3 407.563 -0.034 20 0 HBADHO Cc1nc(N2CCCN([C@@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000432827068 1069343939 /nfs/dbraw/zinc/34/39/39/1069343939.db2.gz AQQSBSJMKKAGDR-IRXDYDNUSA-N 1 3 407.563 -0.034 20 0 HBADHO CC(C)N(CC(=O)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396312 1069974856 /nfs/dbraw/zinc/97/48/56/1069974856.db2.gz YTUAPWCLJNIGDE-QZTJIDSGSA-N 1 3 400.564 -0.160 20 0 HBADHO CC(C)N(CC(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396312 1069974852 /nfs/dbraw/zinc/97/48/52/1069974852.db2.gz YTUAPWCLJNIGDE-QZTJIDSGSA-N 1 3 400.564 -0.160 20 0 HBADHO CC(C)N(CC(=O)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396314 1069975015 /nfs/dbraw/zinc/97/50/15/1069975015.db2.gz YTUAPWCLJNIGDE-ROUUACIJSA-N 1 3 400.564 -0.160 20 0 HBADHO CC(C)N(CC(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396314 1069975008 /nfs/dbraw/zinc/97/50/08/1069975008.db2.gz YTUAPWCLJNIGDE-ROUUACIJSA-N 1 3 400.564 -0.160 20 0 HBADHO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)CC(C)(C)O)CC1)CC(C)(C)O ZINC000436416806 1069976702 /nfs/dbraw/zinc/97/67/02/1069976702.db2.gz YRORFHFMSYBHAX-UHFFFAOYSA-N 1 3 400.564 -0.157 20 0 HBADHO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)CC(C)(C)O)CC1)CC(C)(C)O ZINC000436416806 1069976691 /nfs/dbraw/zinc/97/66/91/1069976691.db2.gz YRORFHFMSYBHAX-UHFFFAOYSA-N 1 3 400.564 -0.157 20 0 HBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213220 1070246534 /nfs/dbraw/zinc/24/65/34/1070246534.db2.gz UPQBBKPDXOATEO-INIZCTEOSA-N 1 3 407.519 -0.558 20 0 HBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213220 1070246526 /nfs/dbraw/zinc/24/65/26/1070246526.db2.gz UPQBBKPDXOATEO-INIZCTEOSA-N 1 3 407.519 -0.558 20 0 HBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213222 1070246351 /nfs/dbraw/zinc/24/63/51/1070246351.db2.gz UPQBBKPDXOATEO-MRXNPFEDSA-N 1 3 407.519 -0.558 20 0 HBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213222 1070246341 /nfs/dbraw/zinc/24/63/41/1070246341.db2.gz UPQBBKPDXOATEO-MRXNPFEDSA-N 1 3 407.519 -0.558 20 0 HBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216491 1070247238 /nfs/dbraw/zinc/24/72/38/1070247238.db2.gz PDJFJVWGJVBLOI-INIZCTEOSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216491 1070247230 /nfs/dbraw/zinc/24/72/30/1070247230.db2.gz PDJFJVWGJVBLOI-INIZCTEOSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216494 1070246958 /nfs/dbraw/zinc/24/69/58/1070246958.db2.gz PDJFJVWGJVBLOI-MRXNPFEDSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216494 1070246945 /nfs/dbraw/zinc/24/69/45/1070246945.db2.gz PDJFJVWGJVBLOI-MRXNPFEDSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218510 1070245705 /nfs/dbraw/zinc/24/57/05/1070245705.db2.gz VHVMJLAHKRKMMM-KRWDZBQOSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218510 1070245699 /nfs/dbraw/zinc/24/56/99/1070245699.db2.gz VHVMJLAHKRKMMM-KRWDZBQOSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218511 1070245851 /nfs/dbraw/zinc/24/58/51/1070245851.db2.gz VHVMJLAHKRKMMM-QGZVFWFLSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218511 1070245844 /nfs/dbraw/zinc/24/58/44/1070245844.db2.gz VHVMJLAHKRKMMM-QGZVFWFLSA-N 1 3 421.546 -0.216 20 0 HBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221047 1070248230 /nfs/dbraw/zinc/24/82/30/1070248230.db2.gz GHPGHVMTOYTHHW-INIZCTEOSA-N 1 3 421.546 -0.249 20 0 HBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221047 1070248224 /nfs/dbraw/zinc/24/82/24/1070248224.db2.gz GHPGHVMTOYTHHW-INIZCTEOSA-N 1 3 421.546 -0.249 20 0 HBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221048 1070247853 /nfs/dbraw/zinc/24/78/53/1070247853.db2.gz GHPGHVMTOYTHHW-MRXNPFEDSA-N 1 3 421.546 -0.249 20 0 HBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221048 1070247841 /nfs/dbraw/zinc/24/78/41/1070247841.db2.gz GHPGHVMTOYTHHW-MRXNPFEDSA-N 1 3 421.546 -0.249 20 0 HBADHO OCCN1CCCN(c2cc(N3CCC[N@@H+](CCO)CC3)nc3ncnn32)CC1 ZINC000439957343 1070320949 /nfs/dbraw/zinc/32/09/49/1070320949.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 1 3 404.519 -0.867 20 0 HBADHO OCCN1CCCN(c2cc(N3CCC[N@H+](CCO)CC3)nc3ncnn32)CC1 ZINC000439957343 1070320931 /nfs/dbraw/zinc/32/09/31/1070320931.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 1 3 404.519 -0.867 20 0 HBADHO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000441584039 1070677841 /nfs/dbraw/zinc/67/78/41/1070677841.db2.gz GVFLWMPIWMFHPB-MSOLQXFVSA-N 1 3 419.526 -0.170 20 0 HBADHO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000441584040 1070677870 /nfs/dbraw/zinc/67/78/70/1070677870.db2.gz GVFLWMPIWMFHPB-QZTJIDSGSA-N 1 3 419.526 -0.170 20 0 HBADHO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@H]1CCCN(C)C1 ZINC000441584041 1070677741 /nfs/dbraw/zinc/67/77/41/1070677741.db2.gz GVFLWMPIWMFHPB-ROUUACIJSA-N 1 3 419.526 -0.170 20 0 HBADHO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@H]1CCCN(C)C1 ZINC000441584042 1070677671 /nfs/dbraw/zinc/67/76/71/1070677671.db2.gz GVFLWMPIWMFHPB-ZWKOTPCHSA-N 1 3 419.526 -0.170 20 0 HBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442003846 1070820730 /nfs/dbraw/zinc/82/07/30/1070820730.db2.gz UJWTVAQZGXMEKY-SJORKVTESA-N 1 3 419.530 -0.415 20 0 HBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)CC2)CC1 ZINC000443435739 1071017871 /nfs/dbraw/zinc/01/78/71/1071017871.db2.gz YTCBWAUFHWRSHP-UHFFFAOYSA-N 1 3 416.592 -0.839 20 0 HBADHO CC1(C)CN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457039 /nfs/dbraw/zinc/45/70/39/1071457039.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 1 3 424.586 -0.157 20 0 HBADHO CC1(C)CN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457035 /nfs/dbraw/zinc/45/70/35/1071457035.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 1 3 424.586 -0.157 20 0 HBADHO CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)CN3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457030 /nfs/dbraw/zinc/45/70/30/1071457030.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 1 3 424.586 -0.157 20 0 HBADHO CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)CN3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071457024 /nfs/dbraw/zinc/45/70/24/1071457024.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 1 3 424.586 -0.157 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000447426667 1068977495 /nfs/dbraw/zinc/97/74/95/1068977495.db2.gz DVEXJQBHZLPDRB-UHFFFAOYSA-N 1 3 421.546 -0.262 20 0 HBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448320963 1069041937 /nfs/dbraw/zinc/04/19/37/1069041937.db2.gz KYTCHMWJBSMRHU-INIZCTEOSA-N 1 3 421.546 -0.264 20 0 HBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000448320971 1069042200 /nfs/dbraw/zinc/04/22/00/1069042200.db2.gz KYTCHMWJBSMRHU-MRXNPFEDSA-N 1 3 421.546 -0.264 20 0 HBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000448486021 1069057097 /nfs/dbraw/zinc/05/70/97/1069057097.db2.gz POMHHJSRDWTJAY-GOSISDBHSA-N 1 3 414.510 -0.081 20 0 HBADHO C[NH+]1CCC(CNC(=O)C2CCN(S(N)(=O)=O)CC2)(N2CCCCC2)CC1 ZINC000461297346 1069672051 /nfs/dbraw/zinc/67/20/51/1069672051.db2.gz RUXRMYXXLXJNIX-UHFFFAOYSA-N 1 3 401.577 -0.032 20 0 HBADHO O=C(CN1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852837 1071495309 /nfs/dbraw/zinc/49/53/09/1071495309.db2.gz ITABZZKOJMCCKG-FGZHOGPDSA-N 1 3 420.554 -0.118 20 0 HBADHO O=C(CN1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852837 1071495306 /nfs/dbraw/zinc/49/53/06/1071495306.db2.gz ITABZZKOJMCCKG-FGZHOGPDSA-N 1 3 420.554 -0.118 20 0 HBADHO O=C(CN1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852851 1071495423 /nfs/dbraw/zinc/49/54/23/1071495423.db2.gz ITABZZKOJMCCKG-VXKWHMMOSA-N 1 3 420.554 -0.118 20 0 HBADHO O=C(CN1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852851 1071495421 /nfs/dbraw/zinc/49/54/21/1071495421.db2.gz ITABZZKOJMCCKG-VXKWHMMOSA-N 1 3 420.554 -0.118 20 0 HBADHO Cn1c2c(ccn2CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC000465174574 1071523598 /nfs/dbraw/zinc/52/35/98/1071523598.db2.gz DRGAPJFKSFSFLW-UHFFFAOYSA-N 1 3 416.526 -0.287 20 0 HBADHO COCCNC(=O)CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000465802831 1069179956 /nfs/dbraw/zinc/17/99/56/1069179956.db2.gz AZPCWAGTKQIWSL-UHFFFAOYSA-N 1 3 424.590 -0.365 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225683 /nfs/dbraw/zinc/22/56/83/1069225683.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225669 /nfs/dbraw/zinc/22/56/69/1069225669.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225933 /nfs/dbraw/zinc/22/59/33/1069225933.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225928 /nfs/dbraw/zinc/22/59/28/1069225928.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225590 /nfs/dbraw/zinc/22/55/90/1069225590.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225578 /nfs/dbraw/zinc/22/55/78/1069225578.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069226044 /nfs/dbraw/zinc/22/60/44/1069226044.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 1 3 410.563 -0.184 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069226025 /nfs/dbraw/zinc/22/60/25/1069226025.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 1 3 410.563 -0.184 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465948793 1069225961 /nfs/dbraw/zinc/22/59/61/1069225961.db2.gz CFQZFCIYAHJGLT-KRWDZBQOSA-N 1 3 410.563 -0.231 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465948793 1069225954 /nfs/dbraw/zinc/22/59/54/1069225954.db2.gz CFQZFCIYAHJGLT-KRWDZBQOSA-N 1 3 410.563 -0.231 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465948804 1069225734 /nfs/dbraw/zinc/22/57/34/1069225734.db2.gz CFQZFCIYAHJGLT-QGZVFWFLSA-N 1 3 410.563 -0.231 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465948804 1069225725 /nfs/dbraw/zinc/22/57/25/1069225725.db2.gz CFQZFCIYAHJGLT-QGZVFWFLSA-N 1 3 410.563 -0.231 20 0 HBADHO CC[NH+]1CCN(CCC(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000468899188 1072099243 /nfs/dbraw/zinc/09/92/43/1072099243.db2.gz IYNQKAJESGVURC-UHFFFAOYSA-N 1 3 422.618 -0.289 20 0 HBADHO COCCN1CCN(c2cc(N3CC[NH+](CCOC)CC3)nc3ncnn32)CC1 ZINC000472355482 1068914506 /nfs/dbraw/zinc/91/45/06/1068914506.db2.gz ZHPUNEKJJBVCOJ-UHFFFAOYSA-N 1 3 404.519 -0.339 20 0 HBADHO C[C@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476828592 1069500532 /nfs/dbraw/zinc/50/05/32/1069500532.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476828592 1069500527 /nfs/dbraw/zinc/50/05/27/1069500527.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828592 1069500521 /nfs/dbraw/zinc/50/05/21/1069500521.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828592 1069500516 /nfs/dbraw/zinc/50/05/16/1069500516.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500366 /nfs/dbraw/zinc/50/03/66/1069500366.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500361 /nfs/dbraw/zinc/50/03/61/1069500361.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500354 /nfs/dbraw/zinc/50/03/54/1069500354.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 1 3 412.575 -0.016 20 0 HBADHO C[C@@H](O)C[N@H+]1CCN(C(=O)CCCC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500349 /nfs/dbraw/zinc/50/03/49/1069500349.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 1 3 412.575 -0.016 20 0 HBADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000477645738 1069595511 /nfs/dbraw/zinc/59/55/11/1069595511.db2.gz NUPDBFFBIWMSMV-KRWDZBQOSA-N 1 3 411.547 -0.728 20 0 HBADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000477645739 1069595413 /nfs/dbraw/zinc/59/54/13/1069595413.db2.gz NUPDBFFBIWMSMV-QGZVFWFLSA-N 1 3 411.547 -0.728 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477674686 1069598204 /nfs/dbraw/zinc/59/82/04/1069598204.db2.gz DZMFXXORMSWHJA-UHFFFAOYSA-N 1 3 411.547 -0.774 20 0 HBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000477727325 1069599208 /nfs/dbraw/zinc/59/92/08/1069599208.db2.gz OMJBJTPCXXTWRR-UHFFFAOYSA-N 1 3 407.559 -0.009 20 0 HBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000477728506 1069599433 /nfs/dbraw/zinc/59/94/33/1069599433.db2.gz RKNLWDQLZZNBKU-GOSISDBHSA-N 1 3 407.559 -0.010 20 0 HBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000477728507 1069599268 /nfs/dbraw/zinc/59/92/68/1069599268.db2.gz RKNLWDQLZZNBKU-SFHVURJKSA-N 1 3 407.559 -0.010 20 0 HBADHO CC[C@H](CO)N1CCN(c2nc(C)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000480112927 1070066293 /nfs/dbraw/zinc/06/62/93/1070066293.db2.gz BVIFKKWHBFMCDC-HDICACEKSA-N 1 3 407.563 -0.034 20 0 HBADHO CC[C@H](CO)[NH+]1CCN(c2nc(C)nc(N3CCN([C@@H](CC)CO)CC3)n2)CC1 ZINC000480112927 1070066271 /nfs/dbraw/zinc/06/62/71/1070066271.db2.gz BVIFKKWHBFMCDC-HDICACEKSA-N 1 3 407.563 -0.034 20 0 HBADHO COc1nc(N2CCN(C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077745 /nfs/dbraw/zinc/07/77/45/1070077745.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077729 /nfs/dbraw/zinc/07/77/29/1070077729.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077712 /nfs/dbraw/zinc/07/77/12/1070077712.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077695 /nfs/dbraw/zinc/07/76/95/1070077695.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077531 /nfs/dbraw/zinc/07/75/31/1070077531.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077511 /nfs/dbraw/zinc/07/75/11/1070077511.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077491 /nfs/dbraw/zinc/07/74/91/1070077491.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077472 /nfs/dbraw/zinc/07/74/72/1070077472.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078142 /nfs/dbraw/zinc/07/81/42/1070078142.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078121 /nfs/dbraw/zinc/07/81/21/1070078121.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078102 /nfs/dbraw/zinc/07/81/02/1070078102.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 1 3 423.562 -0.337 20 0 HBADHO COc1nc(N2CCN(C[C@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078081 /nfs/dbraw/zinc/07/80/81/1070078081.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 1 3 423.562 -0.337 20 0 HBADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000481131395 1070185390 /nfs/dbraw/zinc/18/53/90/1070185390.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000481131395 1070185386 /nfs/dbraw/zinc/18/53/86/1070185386.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000481131396 1070185512 /nfs/dbraw/zinc/18/55/12/1070185512.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000481131396 1070185507 /nfs/dbraw/zinc/18/55/07/1070185507.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000481131397 1070185572 /nfs/dbraw/zinc/18/55/72/1070185572.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000481131397 1070185567 /nfs/dbraw/zinc/18/55/67/1070185567.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000481131398 1070185352 /nfs/dbraw/zinc/18/53/52/1070185352.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000481131398 1070185346 /nfs/dbraw/zinc/18/53/46/1070185346.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 1 3 407.559 -0.012 20 0 HBADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262970 1070200468 /nfs/dbraw/zinc/20/04/68/1070200468.db2.gz WDEJODWFPQYIED-MSOLQXFVSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262970 1070200458 /nfs/dbraw/zinc/20/04/58/1070200458.db2.gz WDEJODWFPQYIED-MSOLQXFVSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262975 1070200334 /nfs/dbraw/zinc/20/03/34/1070200334.db2.gz WDEJODWFPQYIED-QZTJIDSGSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262975 1070200324 /nfs/dbraw/zinc/20/03/24/1070200324.db2.gz WDEJODWFPQYIED-QZTJIDSGSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262978 1070200422 /nfs/dbraw/zinc/20/04/22/1070200422.db2.gz WDEJODWFPQYIED-ROUUACIJSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262978 1070200412 /nfs/dbraw/zinc/20/04/12/1070200412.db2.gz WDEJODWFPQYIED-ROUUACIJSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262983 1070200558 /nfs/dbraw/zinc/20/05/58/1070200558.db2.gz WDEJODWFPQYIED-ZWKOTPCHSA-N 1 3 407.559 -0.010 20 0 HBADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481262983 1070200553 /nfs/dbraw/zinc/20/05/53/1070200553.db2.gz WDEJODWFPQYIED-ZWKOTPCHSA-N 1 3 407.559 -0.010 20 0 HBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000485598588 1070462899 /nfs/dbraw/zinc/46/28/99/1070462899.db2.gz XKFFSWAFDXXBQE-GOSISDBHSA-N 1 3 422.574 -0.123 20 0 HBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000485598589 1070463033 /nfs/dbraw/zinc/46/30/33/1070463033.db2.gz XKFFSWAFDXXBQE-SFHVURJKSA-N 1 3 422.574 -0.123 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489391 /nfs/dbraw/zinc/48/93/91/1070489391.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489385 /nfs/dbraw/zinc/48/93/85/1070489385.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489560 /nfs/dbraw/zinc/48/95/60/1070489560.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489554 /nfs/dbraw/zinc/48/95/54/1070489554.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489686 /nfs/dbraw/zinc/48/96/86/1070489686.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489683 /nfs/dbraw/zinc/48/96/83/1070489683.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489649 /nfs/dbraw/zinc/48/96/49/1070489649.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 1 3 408.547 -0.478 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489646 /nfs/dbraw/zinc/48/96/46/1070489646.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 1 3 408.547 -0.478 20 0 HBADHO O=C(CN1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209694 1070598187 /nfs/dbraw/zinc/59/81/87/1070598187.db2.gz SYYJHCSNIOUZTM-FGZHOGPDSA-N 1 3 420.554 -0.649 20 0 HBADHO O=C(CN1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209694 1070598174 /nfs/dbraw/zinc/59/81/74/1070598174.db2.gz SYYJHCSNIOUZTM-FGZHOGPDSA-N 1 3 420.554 -0.649 20 0 HBADHO O=C(CN1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209699 1070598287 /nfs/dbraw/zinc/59/82/87/1070598287.db2.gz SYYJHCSNIOUZTM-VXKWHMMOSA-N 1 3 420.554 -0.649 20 0 HBADHO O=C(CN1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209699 1070598282 /nfs/dbraw/zinc/59/82/82/1070598282.db2.gz SYYJHCSNIOUZTM-VXKWHMMOSA-N 1 3 420.554 -0.649 20 0 HBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490358102 1070655835 /nfs/dbraw/zinc/65/58/35/1070655835.db2.gz BGGGPYDPVIGVKL-HNNXBMFYSA-N 1 3 407.519 -0.510 20 0 HBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490358103 1070655968 /nfs/dbraw/zinc/65/59/68/1070655968.db2.gz BGGGPYDPVIGVKL-OAHLLOKOSA-N 1 3 407.519 -0.510 20 0 HBADHO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCC(C)CC1 ZINC000490394451 1070656485 /nfs/dbraw/zinc/65/64/85/1070656485.db2.gz LSWQWDDJQQVYIZ-INIZCTEOSA-N 1 3 421.546 -0.264 20 0 HBADHO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCC(C)CC1 ZINC000490394452 1070656518 /nfs/dbraw/zinc/65/65/18/1070656518.db2.gz LSWQWDDJQQVYIZ-MRXNPFEDSA-N 1 3 421.546 -0.264 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCCCC2)cn1 ZINC000490395937 1070656532 /nfs/dbraw/zinc/65/65/32/1070656532.db2.gz RCYQUIDHCXDVNB-UHFFFAOYSA-N 1 3 407.519 -0.508 20 0 HBADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398476 1070661519 /nfs/dbraw/zinc/66/15/19/1070661519.db2.gz SNIAIFXEWXBEDR-HNNXBMFYSA-N 1 3 407.519 -0.653 20 0 HBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398477 1070661356 /nfs/dbraw/zinc/66/13/56/1070661356.db2.gz SNIAIFXEWXBEDR-OAHLLOKOSA-N 1 3 407.519 -0.653 20 0 HBADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402827 1070662116 /nfs/dbraw/zinc/66/21/16/1070662116.db2.gz AVZLOKLAYDYTKO-HNNXBMFYSA-N 1 3 407.519 -0.510 20 0 HBADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402829 1070662060 /nfs/dbraw/zinc/66/20/60/1070662060.db2.gz AVZLOKLAYDYTKO-OAHLLOKOSA-N 1 3 407.519 -0.510 20 0 HBADHO CC1CCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490406990 1070660431 /nfs/dbraw/zinc/66/04/31/1070660431.db2.gz IFMNRWZAUZNDFP-UHFFFAOYSA-N 1 3 407.519 -0.653 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cn1 ZINC000490466894 1070665739 /nfs/dbraw/zinc/66/57/39/1070665739.db2.gz AXGLCSHQTAWZFV-KRWDZBQOSA-N 1 3 419.530 -0.414 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 ZINC000490466895 1070665670 /nfs/dbraw/zinc/66/56/70/1070665670.db2.gz AXGLCSHQTAWZFV-QGZVFWFLSA-N 1 3 419.530 -0.414 20 0 HBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490502137 1070668784 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C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)[C@@H](C)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514119096 1069796102 /nfs/dbraw/zinc/79/61/02/1069796102.db2.gz QZFRHZZMIBNEOS-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)[C@@H](C)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514119096 1069796088 /nfs/dbraw/zinc/79/60/88/1069796088.db2.gz QZFRHZZMIBNEOS-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)[C@@H](C)CN1CCC(=O)N1CCN(C)CC1 ZINC000514119096 1069796073 /nfs/dbraw/zinc/79/60/73/1069796073.db2.gz QZFRHZZMIBNEOS-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)[C@@H](C)CN1CCC(=O)N1CCN(C)CC1 ZINC000514119096 1069796061 /nfs/dbraw/zinc/79/60/61/1069796061.db2.gz QZFRHZZMIBNEOS-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000514302797 1069808895 /nfs/dbraw/zinc/80/88/95/1069808895.db2.gz DCTCFDCLNRSNBW-UHFFFAOYSA-N 1 3 422.574 -0.077 20 0 HBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323201 1069817504 /nfs/dbraw/zinc/81/75/04/1069817504.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323201 1069817484 /nfs/dbraw/zinc/81/74/84/1069817484.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323202 1069817163 /nfs/dbraw/zinc/81/71/63/1069817163.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323202 1069817146 /nfs/dbraw/zinc/81/71/46/1069817146.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323203 1069818135 /nfs/dbraw/zinc/81/81/35/1069818135.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323203 1069818114 /nfs/dbraw/zinc/81/81/14/1069818114.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323204 1069817855 /nfs/dbraw/zinc/81/78/55/1069817855.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 1 3 409.575 -0.422 20 0 HBADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000514323204 1069817833 /nfs/dbraw/zinc/81/78/33/1069817833.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 1 3 409.575 -0.422 20 0 HBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000515439051 1069945789 /nfs/dbraw/zinc/94/57/89/1069945789.db2.gz IHJGELPURDOMST-SFHVURJKSA-N 1 3 409.575 -0.301 20 0 HBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000515439051 1069945779 /nfs/dbraw/zinc/94/57/79/1069945779.db2.gz IHJGELPURDOMST-SFHVURJKSA-N 1 3 409.575 -0.301 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339144 1070013331 /nfs/dbraw/zinc/01/33/31/1070013331.db2.gz JQJJKIKNXSVFGO-MSOLQXFVSA-N 1 3 409.575 -0.377 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339145 1070013675 /nfs/dbraw/zinc/01/36/75/1070013675.db2.gz JQJJKIKNXSVFGO-QZTJIDSGSA-N 1 3 409.575 -0.377 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339146 1070013861 /nfs/dbraw/zinc/01/38/61/1070013861.db2.gz JQJJKIKNXSVFGO-ROUUACIJSA-N 1 3 409.575 -0.377 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339147 1070013459 /nfs/dbraw/zinc/01/34/59/1070013459.db2.gz JQJJKIKNXSVFGO-ZWKOTPCHSA-N 1 3 409.575 -0.377 20 0 HBADHO CN1C[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)c3)C[C@@H]2C1 ZINC000516860344 1070059032 /nfs/dbraw/zinc/05/90/32/1070059032.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 1 3 407.540 -0.170 20 0 HBADHO CN1C[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)c3)C[C@@H]2C1 ZINC000516860344 1070059020 /nfs/dbraw/zinc/05/90/20/1070059020.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 1 3 407.540 -0.170 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000518447813 1070237502 /nfs/dbraw/zinc/23/75/02/1070237502.db2.gz SWTOXWDVNQTIFE-GOSISDBHSA-N 1 3 404.563 -0.076 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000518447814 1070237412 /nfs/dbraw/zinc/23/74/12/1070237412.db2.gz SWTOXWDVNQTIFE-SFHVURJKSA-N 1 3 404.563 -0.076 20 0 HBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000520551589 1070674618 /nfs/dbraw/zinc/67/46/18/1070674618.db2.gz IRTFWFZZURSUPL-KRWDZBQOSA-N 1 3 408.547 -0.477 20 0 HBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000520551589 1070674611 /nfs/dbraw/zinc/67/46/11/1070674611.db2.gz IRTFWFZZURSUPL-KRWDZBQOSA-N 1 3 408.547 -0.477 20 0 HBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000520551590 1070675433 /nfs/dbraw/zinc/67/54/33/1070675433.db2.gz IRTFWFZZURSUPL-QGZVFWFLSA-N 1 3 408.547 -0.477 20 0 HBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000520551590 1070675426 /nfs/dbraw/zinc/67/54/26/1070675426.db2.gz IRTFWFZZURSUPL-QGZVFWFLSA-N 1 3 408.547 -0.477 20 0 HBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000521849319 1070970172 /nfs/dbraw/zinc/97/01/72/1070970172.db2.gz DPXHONVIRRDDBZ-UHFFFAOYSA-N 1 3 422.574 -0.121 20 0 HBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)CC1 ZINC000522114686 1071016145 /nfs/dbraw/zinc/01/61/45/1071016145.db2.gz KKYHDYRALWJEHN-UHFFFAOYSA-N 1 3 420.558 -0.323 20 0 HBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000522693534 1071197294 /nfs/dbraw/zinc/19/72/94/1071197294.db2.gz KDMXLVLWQCTSNR-UHFFFAOYSA-N 1 3 419.534 -0.915 20 0 HBADHO Cn1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523649619 1071367178 /nfs/dbraw/zinc/36/71/78/1071367178.db2.gz YGAAGBZAFBIXFX-UHFFFAOYSA-N 1 3 416.526 -0.136 20 0 HBADHO CCN1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575414 1071453671 /nfs/dbraw/zinc/45/36/71/1071453671.db2.gz RSDNJJIQLZKBEF-GOSISDBHSA-N 1 3 407.559 -0.058 20 0 HBADHO CCN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575415 1071453713 /nfs/dbraw/zinc/45/37/13/1071453713.db2.gz RSDNJJIQLZKBEF-SFHVURJKSA-N 1 3 407.559 -0.058 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000525882782 1068980675 /nfs/dbraw/zinc/98/06/75/1068980675.db2.gz BFZATJAFJLKJGF-UHFFFAOYSA-N 1 3 403.487 -0.539 20 0 HBADHO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882853 1068980898 /nfs/dbraw/zinc/98/08/98/1068980898.db2.gz CJPOUFVKGDXLQP-UHFFFAOYSA-N 1 3 413.544 -0.207 20 0 HBADHO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000525882910 1068980620 /nfs/dbraw/zinc/98/06/20/1068980620.db2.gz BUNHZVRLIWXZQD-KRWDZBQOSA-N 1 3 405.499 -0.522 20 0 HBADHO CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000525882911 1068980835 /nfs/dbraw/zinc/98/08/35/1068980835.db2.gz BUNHZVRLIWXZQD-QGZVFWFLSA-N 1 3 405.499 -0.522 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000526131947 1068999803 /nfs/dbraw/zinc/99/98/03/1068999803.db2.gz SVTIYORRDOHMGV-INIZCTEOSA-N 1 3 417.510 -0.218 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000526131948 1068999672 /nfs/dbraw/zinc/99/96/72/1068999672.db2.gz SVTIYORRDOHMGV-MRXNPFEDSA-N 1 3 417.510 -0.218 20 0 HBADHO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000526132128 1068999532 /nfs/dbraw/zinc/99/95/32/1068999532.db2.gz ZNIVTNQINWQSEA-UHFFFAOYSA-N 1 3 413.544 -0.159 20 0 HBADHO COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527123932 1069024851 /nfs/dbraw/zinc/02/48/51/1069024851.db2.gz LKWIMZDPSQEIRH-KRWDZBQOSA-N 1 3 406.483 -0.095 20 0 HBADHO COC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527123933 1069025358 /nfs/dbraw/zinc/02/53/58/1069025358.db2.gz LKWIMZDPSQEIRH-QGZVFWFLSA-N 1 3 406.483 -0.095 20 0 HBADHO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000527123944 1069025373 /nfs/dbraw/zinc/02/53/73/1069025373.db2.gz RLQDVAOVRJVRKK-UHFFFAOYSA-N 1 3 413.544 -0.207 20 0 HBADHO CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000527124147 1069025467 /nfs/dbraw/zinc/02/54/67/1069025467.db2.gz GQLKHCGIPGMJSO-UHFFFAOYSA-N 1 3 413.544 -0.207 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000527124225 1069025286 /nfs/dbraw/zinc/02/52/86/1069025286.db2.gz XUKPOXOMNINHSY-UHFFFAOYSA-N 1 3 418.498 -0.371 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000527124414 1069025525 /nfs/dbraw/zinc/02/55/25/1069025525.db2.gz YESBFJQDFCGSGC-UHFFFAOYSA-N 1 3 413.544 -0.374 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000527373819 1069036146 /nfs/dbraw/zinc/03/61/46/1069036146.db2.gz PXIXSWHCVHEPMV-UHFFFAOYSA-N 1 3 418.498 -0.025 20 0 HBADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-n1nnnc1C ZINC000527373830 1069035997 /nfs/dbraw/zinc/03/59/97/1069035997.db2.gz XLFLTNSIJSEEGN-UHFFFAOYSA-N 1 3 418.502 -0.130 20 0 HBADHO CCc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000527373888 1069036016 /nfs/dbraw/zinc/03/60/16/1069036016.db2.gz XCVATROVZBRIPQ-UHFFFAOYSA-N 1 3 413.544 -0.213 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000527374106 1069036056 /nfs/dbraw/zinc/03/60/56/1069036056.db2.gz KPPSGPKWBGCLOE-UHFFFAOYSA-N 1 3 413.544 -0.173 20 0 HBADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000527374201 1069035453 /nfs/dbraw/zinc/03/54/53/1069035453.db2.gz DNOBGLBBUBDKSJ-UHFFFAOYSA-N 1 3 404.475 -0.439 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527374248 1069036064 /nfs/dbraw/zinc/03/60/64/1069036064.db2.gz RDTAEMRHHLOPQV-UHFFFAOYSA-N 1 3 418.498 -0.371 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cn1 ZINC000532274841 1071158670 /nfs/dbraw/zinc/15/86/70/1071158670.db2.gz BNUACVCBOINALP-UHFFFAOYSA-N 1 3 421.546 -0.168 20 0 HBADHO O=C1NCCN1[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000533354952 1069277788 /nfs/dbraw/zinc/27/77/88/1069277788.db2.gz OBZJPVTZEIEVCT-QZTJIDSGSA-N 1 3 408.547 -0.018 20 0 HBADHO O=C1NCCN1[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000533354952 1069277776 /nfs/dbraw/zinc/27/77/76/1069277776.db2.gz OBZJPVTZEIEVCT-QZTJIDSGSA-N 1 3 408.547 -0.018 20 0 HBADHO O=C1NCCN1[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354953 1069277991 /nfs/dbraw/zinc/27/79/91/1069277991.db2.gz OBZJPVTZEIEVCT-ROUUACIJSA-N 1 3 408.547 -0.018 20 0 HBADHO O=C1NCCN1[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354953 1069277977 /nfs/dbraw/zinc/27/79/77/1069277977.db2.gz OBZJPVTZEIEVCT-ROUUACIJSA-N 1 3 408.547 -0.018 20 0 HBADHO O=C(CN1CCC(CCO)CC1)N1CCN(C(=O)C[NH+]2CCC(CCO)CC2)CC1 ZINC000533418613 1069284172 /nfs/dbraw/zinc/28/41/72/1069284172.db2.gz LDKZXEIKRUHGJG-UHFFFAOYSA-N 1 3 424.586 -0.154 20 0 HBADHO CNS(=O)(=O)C[C@@H]1CCCN1CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273606 1071208616 /nfs/dbraw/zinc/20/86/16/1071208616.db2.gz WFVDWRQTZDMIFJ-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@@H]1CCCN1CCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273606 1071208606 /nfs/dbraw/zinc/20/86/06/1071208606.db2.gz WFVDWRQTZDMIFJ-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCCN1CCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000534273607 1071208441 /nfs/dbraw/zinc/20/84/41/1071208441.db2.gz WFVDWRQTZDMIFJ-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCCN1CCCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000534273607 1071208436 /nfs/dbraw/zinc/20/84/36/1071208436.db2.gz WFVDWRQTZDMIFJ-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208809 /nfs/dbraw/zinc/20/88/09/1071208809.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208805 /nfs/dbraw/zinc/20/88/05/1071208805.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCCN1CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208793 /nfs/dbraw/zinc/20/87/93/1071208793.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CNS(=O)(=O)C[C@H]1CCCN1CCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208783 /nfs/dbraw/zinc/20/87/83/1071208783.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534274202 1071208562 /nfs/dbraw/zinc/20/85/62/1071208562.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534274202 1071208557 /nfs/dbraw/zinc/20/85/57/1071208557.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534274203 1071208692 /nfs/dbraw/zinc/20/86/92/1071208692.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534274203 1071208683 /nfs/dbraw/zinc/20/86/83/1071208683.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534274204 1071208929 /nfs/dbraw/zinc/20/89/29/1071208929.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534274204 1071208925 /nfs/dbraw/zinc/20/89/25/1071208925.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534274205 1071208507 /nfs/dbraw/zinc/20/85/07/1071208507.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 1 3 418.586 -0.879 20 0 HBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534274205 1071208503 /nfs/dbraw/zinc/20/85/03/1071208503.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 1 3 418.586 -0.879 20 0 HBADHO C[C@H](O)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845961 1071233008 /nfs/dbraw/zinc/23/30/08/1071233008.db2.gz GPBMKAQNHXYKBJ-VNTMZGSJSA-N 1 3 424.586 -0.157 20 0 HBADHO C[C@H](O)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845961 1071232997 /nfs/dbraw/zinc/23/29/97/1071232997.db2.gz GPBMKAQNHXYKBJ-VNTMZGSJSA-N 1 3 424.586 -0.157 20 0 HBADHO CN(CCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535017679 1071240917 /nfs/dbraw/zinc/24/09/17/1071240917.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535017679 1071240904 /nfs/dbraw/zinc/24/09/04/1071240904.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535017683 1071241008 /nfs/dbraw/zinc/24/10/08/1071241008.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535017683 1071240998 /nfs/dbraw/zinc/24/09/98/1071240998.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535017684 1071240825 /nfs/dbraw/zinc/24/08/25/1071240825.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535017684 1071240815 /nfs/dbraw/zinc/24/08/15/1071240815.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535017685 1071241155 /nfs/dbraw/zinc/24/11/55/1071241155.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 1 3 406.575 -0.879 20 0 HBADHO CN(CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535017685 1071241151 /nfs/dbraw/zinc/24/11/51/1071241151.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 1 3 406.575 -0.879 20 0 HBADHO CN1CCN(c2cc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccn2)CC1 ZINC000535431096 1071254869 /nfs/dbraw/zinc/25/48/69/1071254869.db2.gz RUGIOQKLOVCKOP-UHFFFAOYSA-N 1 3 404.559 -0.047 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535727182 1068594387 /nfs/dbraw/zinc/59/43/87/1068594387.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535727182 1068594374 /nfs/dbraw/zinc/59/43/74/1068594374.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535727183 1068594794 /nfs/dbraw/zinc/59/47/94/1068594794.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000535727183 1068594784 /nfs/dbraw/zinc/59/47/84/1068594784.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535727184 1068594732 /nfs/dbraw/zinc/59/47/32/1068594732.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535727184 1068594721 /nfs/dbraw/zinc/59/47/21/1068594721.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535727185 1068594463 /nfs/dbraw/zinc/59/44/63/1068594463.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(C)(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000535727185 1068594453 /nfs/dbraw/zinc/59/44/53/1068594453.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 1 3 420.602 -0.633 20 0 HBADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878291 1068607337 /nfs/dbraw/zinc/60/73/37/1068607337.db2.gz ZISCMHNQHPNOHY-MUGJNUQGSA-N 1 3 424.586 -0.157 20 0 HBADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878291 1068607328 /nfs/dbraw/zinc/60/73/28/1068607328.db2.gz ZISCMHNQHPNOHY-MUGJNUQGSA-N 1 3 424.586 -0.157 20 0 HBADHO CCNS(=O)(=O)[C@H]1CCN(CCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565956 1069216479 /nfs/dbraw/zinc/21/64/79/1069216479.db2.gz WTIXEPKGCCTLCD-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CCNS(=O)(=O)[C@H]1CCN(CCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565956 1069216472 /nfs/dbraw/zinc/21/64/72/1069216472.db2.gz WTIXEPKGCCTLCD-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CCNS(=O)(=O)[C@@H]1CCN(CCCC[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536565959 1069216235 /nfs/dbraw/zinc/21/62/35/1069216235.db2.gz WTIXEPKGCCTLCD-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CCNS(=O)(=O)[C@@H]1CCN(CCCC[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536565959 1069216224 /nfs/dbraw/zinc/21/62/24/1069216224.db2.gz WTIXEPKGCCTLCD-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CN1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)CC1 ZINC000537148392 1069344339 /nfs/dbraw/zinc/34/43/39/1069344339.db2.gz XNTHDJNJELGCBL-UHFFFAOYSA-N 1 3 416.570 -0.359 20 0 HBADHO CN(CC(=O)N1CCN(C)CC1)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)CC1 ZINC000537861631 1069615662 /nfs/dbraw/zinc/61/56/62/1069615662.db2.gz HSUAAYWYNGJKFQ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO CN(CC(=O)N1CCN(C)CC1)[C@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)CC1 ZINC000537861631 1069615657 /nfs/dbraw/zinc/61/56/57/1069615657.db2.gz HSUAAYWYNGJKFQ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO CN1CCN(C(=O)CN2CCC[C@H]([N@@H+](C)CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000537861631 1069615653 /nfs/dbraw/zinc/61/56/53/1069615653.db2.gz HSUAAYWYNGJKFQ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO CN1CCN(C(=O)CN2CCC[C@H]([N@H+](C)CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000537861631 1069615650 /nfs/dbraw/zinc/61/56/50/1069615650.db2.gz HSUAAYWYNGJKFQ-IBGZPJMESA-N 1 3 408.591 -0.679 20 0 HBADHO CN(CC(=O)N1CCN(C)CC1)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)CC1 ZINC000537861636 1069615707 /nfs/dbraw/zinc/61/57/07/1069615707.db2.gz HSUAAYWYNGJKFQ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO CN(CC(=O)N1CCN(C)CC1)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)CC1 ZINC000537861636 1069615703 /nfs/dbraw/zinc/61/57/03/1069615703.db2.gz HSUAAYWYNGJKFQ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO CN1CCN(C(=O)CN2CCC[C@@H]([N@@H+](C)CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000537861636 1069615699 /nfs/dbraw/zinc/61/56/99/1069615699.db2.gz HSUAAYWYNGJKFQ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO CN1CCN(C(=O)CN2CCC[C@@H]([N@H+](C)CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000537861636 1069615691 /nfs/dbraw/zinc/61/56/91/1069615691.db2.gz HSUAAYWYNGJKFQ-LJQANCHMSA-N 1 3 408.591 -0.679 20 0 HBADHO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)CN[C@@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643125 1071463788 /nfs/dbraw/zinc/46/37/88/1071463788.db2.gz OKCANWUPOJOFDU-IYBDPMFKSA-N 1 3 416.530 -0.174 20 0 HBADHO C[C@@H](NCC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643125 1071463782 /nfs/dbraw/zinc/46/37/82/1071463782.db2.gz OKCANWUPOJOFDU-IYBDPMFKSA-N 1 3 416.530 -0.174 20 0 HBADHO C[C@@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000542182736 1071515137 /nfs/dbraw/zinc/51/51/37/1071515137.db2.gz PQGRNRHAXNULQI-FHWLQOOXSA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000542182741 1071515192 /nfs/dbraw/zinc/51/51/92/1071515192.db2.gz PQGRNRHAXNULQI-OTWHNJEPSA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000542182743 1071514920 /nfs/dbraw/zinc/51/49/20/1071514920.db2.gz PQGRNRHAXNULQI-QRVBRYPASA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000542182745 1071515229 /nfs/dbraw/zinc/51/52/29/1071515229.db2.gz PQGRNRHAXNULQI-QYZOEREBSA-N 1 3 410.559 -0.018 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180823 1069309905 /nfs/dbraw/zinc/30/99/05/1069309905.db2.gz CHHLZRLOGLQRGT-GTYQWKCWSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180823 1069309886 /nfs/dbraw/zinc/30/98/86/1069309886.db2.gz CHHLZRLOGLQRGT-GTYQWKCWSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000543180825 1069309585 /nfs/dbraw/zinc/30/95/85/1069309585.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000543180825 1069309567 /nfs/dbraw/zinc/30/95/67/1069309567.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180825 1069309550 /nfs/dbraw/zinc/30/95/50/1069309550.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180825 1069309537 /nfs/dbraw/zinc/30/95/37/1069309537.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000543180828 1069309470 /nfs/dbraw/zinc/30/94/70/1069309470.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000543180828 1069309454 /nfs/dbraw/zinc/30/94/54/1069309454.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180828 1069309437 /nfs/dbraw/zinc/30/94/37/1069309437.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180828 1069309420 /nfs/dbraw/zinc/30/94/20/1069309420.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069310037 /nfs/dbraw/zinc/31/00/37/1069310037.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069310025 /nfs/dbraw/zinc/31/00/25/1069310025.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069310014 /nfs/dbraw/zinc/31/00/14/1069310014.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 1 3 420.554 -0.937 20 0 HBADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069310002 /nfs/dbraw/zinc/31/00/02/1069310002.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 1 3 420.554 -0.937 20 0 HBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000544038788 1068730746 /nfs/dbraw/zinc/73/07/46/1068730746.db2.gz PQGRNRHAXNULQI-CEXWTWQISA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000544038789 1068730573 /nfs/dbraw/zinc/73/05/73/1068730573.db2.gz PQGRNRHAXNULQI-GBESFXJTSA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000544038790 1068730602 /nfs/dbraw/zinc/73/06/02/1068730602.db2.gz PQGRNRHAXNULQI-GUDVDZBRSA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000544038791 1068730706 /nfs/dbraw/zinc/73/07/06/1068730706.db2.gz PQGRNRHAXNULQI-IPMKNSEASA-N 1 3 410.559 -0.018 20 0 HBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H](C)[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000548931728 1068944629 /nfs/dbraw/zinc/94/46/29/1068944629.db2.gz YTTVBACIYDKYPV-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H](C)[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000548931728 1068944614 /nfs/dbraw/zinc/94/46/14/1068944614.db2.gz YTTVBACIYDKYPV-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)C[C@H](C)N1CCC(=O)N1CCN(C)CC1 ZINC000548931728 1068944609 /nfs/dbraw/zinc/94/46/09/1068944609.db2.gz YTTVBACIYDKYPV-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@H](C)N1CCC(=O)N1CCN(C)CC1 ZINC000548931728 1068944587 /nfs/dbraw/zinc/94/45/87/1068944587.db2.gz YTTVBACIYDKYPV-BGYRXZFFSA-N 1 3 422.618 -0.291 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000550324547 1070612677 /nfs/dbraw/zinc/61/26/77/1070612677.db2.gz VOIXPVNYRAKZSC-UHFFFAOYSA-N 1 3 407.515 -0.048 20 0 HBADHO CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CCN(C)CC1 ZINC000550382599 1070633727 /nfs/dbraw/zinc/63/37/27/1070633727.db2.gz WMFXALMBDTVPJD-MOPGFXCFSA-N 1 3 411.591 -0.056 20 0 HBADHO CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000550382600 1070633647 /nfs/dbraw/zinc/63/36/47/1070633647.db2.gz WMFXALMBDTVPJD-OALUTQOASA-N 1 3 411.591 -0.056 20 0 HBADHO CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000550382601 1070633763 /nfs/dbraw/zinc/63/37/63/1070633763.db2.gz WMFXALMBDTVPJD-RBUKOAKNSA-N 1 3 411.591 -0.056 20 0 HBADHO CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CCN(C)CC1 ZINC000550382602 1070633846 /nfs/dbraw/zinc/63/38/46/1070633846.db2.gz WMFXALMBDTVPJD-RTBURBONSA-N 1 3 411.591 -0.056 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000550390898 1070635492 /nfs/dbraw/zinc/63/54/92/1070635492.db2.gz JHJWVLAMUFPGTN-UHFFFAOYSA-N 1 3 415.542 -0.069 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000550408481 1070648818 /nfs/dbraw/zinc/64/88/18/1070648818.db2.gz OSBODVXPZSVHPK-FQEVSTJZSA-N 1 3 416.570 -0.718 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000550408482 1070648746 /nfs/dbraw/zinc/64/87/46/1070648746.db2.gz OSBODVXPZSVHPK-HXUWFJFHSA-N 1 3 416.570 -0.718 20 0 HBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000550512499 1071081014 /nfs/dbraw/zinc/08/10/14/1071081014.db2.gz DXDURUZKKHZHQB-KRWDZBQOSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000550512499 1071081000 /nfs/dbraw/zinc/08/10/00/1071081000.db2.gz DXDURUZKKHZHQB-KRWDZBQOSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000550512500 1071080934 /nfs/dbraw/zinc/08/09/34/1071080934.db2.gz DXDURUZKKHZHQB-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000550512500 1071080919 /nfs/dbraw/zinc/08/09/19/1071080919.db2.gz DXDURUZKKHZHQB-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000550670502 1069413378 /nfs/dbraw/zinc/41/33/78/1069413378.db2.gz GWAXSTKNTIEVCD-UHFFFAOYSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC000550779003 1069437263 /nfs/dbraw/zinc/43/72/63/1069437263.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 1 3 410.607 -0.483 20 0 HBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC000550779003 1069437260 /nfs/dbraw/zinc/43/72/60/1069437260.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 1 3 410.607 -0.483 20 0 HBADHO CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC000550779004 1069437221 /nfs/dbraw/zinc/43/72/21/1069437221.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 1 3 410.607 -0.483 20 0 HBADHO CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC000550779004 1069437217 /nfs/dbraw/zinc/43/72/17/1069437217.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 1 3 410.607 -0.483 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000550780825 1069438542 /nfs/dbraw/zinc/43/85/42/1069438542.db2.gz LBQADZRKHXAZHW-IBGZPJMESA-N 1 3 409.575 -0.299 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000550780826 1069438451 /nfs/dbraw/zinc/43/84/51/1069438451.db2.gz LBQADZRKHXAZHW-LJQANCHMSA-N 1 3 409.575 -0.299 20 0 HBADHO CN1CCN(c2ncccc2CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550783696 1069440376 /nfs/dbraw/zinc/44/03/76/1069440376.db2.gz JBBABBSQPYSOIH-UHFFFAOYSA-N 1 3 418.542 -0.322 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830444 1069453646 /nfs/dbraw/zinc/45/36/46/1069453646.db2.gz CFOFGLWQWXKSAQ-BEFAXECRSA-N 1 3 413.588 -0.401 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830445 1069453966 /nfs/dbraw/zinc/45/39/66/1069453966.db2.gz CFOFGLWQWXKSAQ-DNVCBOLYSA-N 1 3 413.588 -0.401 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830446 1069454004 /nfs/dbraw/zinc/45/40/04/1069454004.db2.gz CFOFGLWQWXKSAQ-HNAYVOBHSA-N 1 3 413.588 -0.401 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830447 1069453808 /nfs/dbraw/zinc/45/38/08/1069453808.db2.gz CFOFGLWQWXKSAQ-KXBFYZLASA-N 1 3 413.588 -0.401 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550834803 1069455154 /nfs/dbraw/zinc/45/51/54/1069455154.db2.gz OQRGLCKPSFFSSI-IBGZPJMESA-N 1 3 413.588 -0.448 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000550834804 1069455177 /nfs/dbraw/zinc/45/51/77/1069455177.db2.gz OQRGLCKPSFFSSI-LJQANCHMSA-N 1 3 413.588 -0.448 20 0 HBADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCSC1 ZINC000550840913 1069456520 /nfs/dbraw/zinc/45/65/20/1069456520.db2.gz WULLXGSCBOZQLJ-IBGZPJMESA-N 1 3 411.572 -0.694 20 0 HBADHO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCSC1 ZINC000550840914 1069456546 /nfs/dbraw/zinc/45/65/46/1069456546.db2.gz WULLXGSCBOZQLJ-LJQANCHMSA-N 1 3 411.572 -0.694 20 0 HBADHO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000550861482 1069463408 /nfs/dbraw/zinc/46/34/08/1069463408.db2.gz KDMFBGTZRIWMNO-UHFFFAOYSA-N 1 3 419.592 -0.741 20 0 HBADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550879065 1069464635 /nfs/dbraw/zinc/46/46/35/1069464635.db2.gz PQSOVGFXHNNPIK-QGZVFWFLSA-N 1 3 409.575 -0.160 20 0 HBADHO COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)c1 ZINC000550880274 1069464712 /nfs/dbraw/zinc/46/47/12/1069464712.db2.gz KHGGWUXLPUTSTB-UHFFFAOYSA-N 1 3 418.542 -0.119 20 0 HBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550907754 1069467746 /nfs/dbraw/zinc/46/77/46/1069467746.db2.gz YRZVGSWHZUKVGM-UHFFFAOYSA-N 1 3 405.543 -0.256 20 0 HBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000550946531 1069478724 /nfs/dbraw/zinc/47/87/24/1069478724.db2.gz IHJGELPURDOMST-GOSISDBHSA-N 1 3 409.575 -0.301 20 0 HBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000550946531 1069478720 /nfs/dbraw/zinc/47/87/20/1069478720.db2.gz IHJGELPURDOMST-GOSISDBHSA-N 1 3 409.575 -0.301 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124324 1069507430 /nfs/dbraw/zinc/50/74/30/1069507430.db2.gz VWOUQLBETZHANR-MSOLQXFVSA-N 1 3 409.575 -0.302 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124325 1069507211 /nfs/dbraw/zinc/50/72/11/1069507211.db2.gz VWOUQLBETZHANR-QZTJIDSGSA-N 1 3 409.575 -0.302 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124326 1069507053 /nfs/dbraw/zinc/50/70/53/1069507053.db2.gz VWOUQLBETZHANR-ROUUACIJSA-N 1 3 409.575 -0.302 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124327 1069507358 /nfs/dbraw/zinc/50/73/58/1069507358.db2.gz VWOUQLBETZHANR-ZWKOTPCHSA-N 1 3 409.575 -0.302 20 0 HBADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000551152616 1069510601 /nfs/dbraw/zinc/51/06/01/1069510601.db2.gz QMEOSYXHBOSMSF-GOSISDBHSA-N 1 3 411.591 -0.008 20 0 HBADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000551152617 1069510764 /nfs/dbraw/zinc/51/07/64/1069510764.db2.gz QMEOSYXHBOSMSF-SFHVURJKSA-N 1 3 411.591 -0.008 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000551158743 1069512900 /nfs/dbraw/zinc/51/29/00/1069512900.db2.gz CYZSPSBEHSPFPD-UHFFFAOYSA-N 1 3 409.575 -0.157 20 0 HBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512392 /nfs/dbraw/zinc/51/23/92/1069512392.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 1 3 411.591 -0.176 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512383 /nfs/dbraw/zinc/51/23/83/1069512383.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 1 3 411.591 -0.176 20 0 HBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512149 /nfs/dbraw/zinc/51/21/49/1069512149.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 1 3 411.591 -0.176 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512143 /nfs/dbraw/zinc/51/21/43/1069512143.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 1 3 411.591 -0.176 20 0 HBADHO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CCN(C)CC1 ZINC000551480606 1069551076 /nfs/dbraw/zinc/55/10/76/1069551076.db2.gz UHSGFCQFYYNPTP-GOSISDBHSA-N 1 3 409.575 -0.253 20 0 HBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CCN(C)CC1 ZINC000551480607 1069551195 /nfs/dbraw/zinc/55/11/95/1069551195.db2.gz UHSGFCQFYYNPTP-SFHVURJKSA-N 1 3 409.575 -0.253 20 0 HBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000551506937 1069554787 /nfs/dbraw/zinc/55/47/87/1069554787.db2.gz GROHOGHJXIOXPJ-MOPGFXCFSA-N 1 3 409.575 -0.443 20 0 HBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000551506939 1069555388 /nfs/dbraw/zinc/55/53/88/1069555388.db2.gz GROHOGHJXIOXPJ-OALUTQOASA-N 1 3 409.575 -0.443 20 0 HBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000551506940 1069555445 /nfs/dbraw/zinc/55/54/45/1069555445.db2.gz GROHOGHJXIOXPJ-RBUKOAKNSA-N 1 3 409.575 -0.443 20 0 HBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000551506941 1069555249 /nfs/dbraw/zinc/55/52/49/1069555249.db2.gz GROHOGHJXIOXPJ-RTBURBONSA-N 1 3 409.575 -0.443 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000551680860 1069572109 /nfs/dbraw/zinc/57/21/09/1069572109.db2.gz PNNNFUJJJNMWAY-IBGZPJMESA-N 1 3 415.604 -0.738 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000551680867 1069572124 /nfs/dbraw/zinc/57/21/24/1069572124.db2.gz PNNNFUJJJNMWAY-LJQANCHMSA-N 1 3 415.604 -0.738 20 0 HBADHO CN(C)[C@H]1CN(C(=O)CC2(CC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CCCCC2)C[C@@H]1O ZINC000552157047 1069770489 /nfs/dbraw/zinc/77/04/89/1069770489.db2.gz BTAKYACUPZCVAJ-VJANTYMQSA-N 1 3 424.586 -0.016 20 0 HBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552317223 1069784794 /nfs/dbraw/zinc/78/47/94/1069784794.db2.gz ITYNMUPMDQUNRB-KRWDZBQOSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552317223 1069784788 /nfs/dbraw/zinc/78/47/88/1069784788.db2.gz ITYNMUPMDQUNRB-KRWDZBQOSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552317224 1069784837 /nfs/dbraw/zinc/78/48/37/1069784837.db2.gz ITYNMUPMDQUNRB-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552317224 1069784829 /nfs/dbraw/zinc/78/48/29/1069784829.db2.gz ITYNMUPMDQUNRB-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000552359049 1069787771 /nfs/dbraw/zinc/78/77/71/1069787771.db2.gz JMOIVPWTEMWZDL-GOSISDBHSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000552359049 1069787762 /nfs/dbraw/zinc/78/77/62/1069787762.db2.gz JMOIVPWTEMWZDL-GOSISDBHSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000552359050 1069787733 /nfs/dbraw/zinc/78/77/33/1069787733.db2.gz JMOIVPWTEMWZDL-SFHVURJKSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000552359050 1069787725 /nfs/dbraw/zinc/78/77/25/1069787725.db2.gz JMOIVPWTEMWZDL-SFHVURJKSA-N 1 3 407.559 -0.010 20 0 HBADHO COc1cccc(N2C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2=O)c1 ZINC000552803067 1069856824 /nfs/dbraw/zinc/85/68/24/1069856824.db2.gz LVQUPXSPAKNCIE-INIZCTEOSA-N 1 3 419.526 -0.132 20 0 HBADHO COc1cccc(N2C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2=O)c1 ZINC000552803068 1069857251 /nfs/dbraw/zinc/85/72/51/1069857251.db2.gz LVQUPXSPAKNCIE-MRXNPFEDSA-N 1 3 419.526 -0.132 20 0 HBADHO COCCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864479 1069865259 /nfs/dbraw/zinc/86/52/59/1069865259.db2.gz HSDYTEJLDJBXBG-IBGZPJMESA-N 1 3 409.575 -0.112 20 0 HBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864480 1069865040 /nfs/dbraw/zinc/86/50/40/1069865040.db2.gz HSDYTEJLDJBXBG-LJQANCHMSA-N 1 3 409.575 -0.112 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000552864634 1069864882 /nfs/dbraw/zinc/86/48/82/1069864882.db2.gz KZWLBRZHQYRTEB-GOSISDBHSA-N 1 3 403.527 -0.145 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000552864635 1069865061 /nfs/dbraw/zinc/86/50/61/1069865061.db2.gz KZWLBRZHQYRTEB-SFHVURJKSA-N 1 3 403.527 -0.145 20 0 HBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000552930616 1069879533 /nfs/dbraw/zinc/87/95/33/1069879533.db2.gz JLPAWNUMWBWXIN-UHFFFAOYSA-N 1 3 418.546 -0.460 20 0 HBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000552937746 1069885839 /nfs/dbraw/zinc/88/58/39/1069885839.db2.gz MTTTYYPENYQWPM-GOSISDBHSA-N 1 3 423.558 -0.632 20 0 HBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000552937747 1069885056 /nfs/dbraw/zinc/88/50/56/1069885056.db2.gz MTTTYYPENYQWPM-SFHVURJKSA-N 1 3 423.558 -0.632 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150615 1069919231 /nfs/dbraw/zinc/91/92/31/1069919231.db2.gz YXUWIQCTODSBPE-MSOLQXFVSA-N 1 3 407.559 -0.010 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150616 1069919314 /nfs/dbraw/zinc/91/93/14/1069919314.db2.gz YXUWIQCTODSBPE-QZTJIDSGSA-N 1 3 407.559 -0.010 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150617 1069919425 /nfs/dbraw/zinc/91/94/25/1069919425.db2.gz YXUWIQCTODSBPE-ROUUACIJSA-N 1 3 407.559 -0.010 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150618 1069918979 /nfs/dbraw/zinc/91/89/79/1069918979.db2.gz YXUWIQCTODSBPE-ZWKOTPCHSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000553160202 1069922529 /nfs/dbraw/zinc/92/25/29/1069922529.db2.gz BLSACDADXOGTKU-KRWDZBQOSA-N 1 3 401.515 -0.460 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000553160202 1069922513 /nfs/dbraw/zinc/92/25/13/1069922513.db2.gz BLSACDADXOGTKU-KRWDZBQOSA-N 1 3 401.515 -0.460 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000553160203 1069922657 /nfs/dbraw/zinc/92/26/57/1069922657.db2.gz BLSACDADXOGTKU-QGZVFWFLSA-N 1 3 401.515 -0.460 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000553160203 1069922645 /nfs/dbraw/zinc/92/26/45/1069922645.db2.gz BLSACDADXOGTKU-QGZVFWFLSA-N 1 3 401.515 -0.460 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000553416378 1069956999 /nfs/dbraw/zinc/95/69/99/1069956999.db2.gz HSLQEJJJOFZVAQ-KRWDZBQOSA-N 1 3 414.558 -0.016 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000553416379 1069957268 /nfs/dbraw/zinc/95/72/68/1069957268.db2.gz HSLQEJJJOFZVAQ-QGZVFWFLSA-N 1 3 414.558 -0.016 20 0 HBADHO CC(C)Nc1nc(NCCO)nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000553494715 1069968464 /nfs/dbraw/zinc/96/84/64/1069968464.db2.gz METAPLGESQRLHR-UHFFFAOYSA-N 1 3 406.579 -0.206 20 0 HBADHO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000553779521 1069999963 /nfs/dbraw/zinc/99/99/63/1069999963.db2.gz UVKUPZVUWRVCGV-QGZVFWFLSA-N 1 3 423.558 -0.774 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000554043166 1070026420 /nfs/dbraw/zinc/02/64/20/1070026420.db2.gz JOXCZUMNKXCXRU-IBGZPJMESA-N 1 3 409.575 -0.301 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000554043167 1070027194 /nfs/dbraw/zinc/02/71/94/1070027194.db2.gz JOXCZUMNKXCXRU-LJQANCHMSA-N 1 3 409.575 -0.301 20 0 HBADHO CN1CCC(CNC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)([NH+]2CCCCC2)CC1 ZINC000554043175 1070027360 /nfs/dbraw/zinc/02/73/60/1070027360.db2.gz JRVYPETWHULFFU-GOSISDBHSA-N 1 3 408.591 -0.585 20 0 HBADHO CN1CCC(CNC(=O)C(=O)NC[C@H]2CN(C)CCN2C)([NH+]2CCCCC2)CC1 ZINC000554043180 1070027036 /nfs/dbraw/zinc/02/70/36/1070027036.db2.gz JRVYPETWHULFFU-SFHVURJKSA-N 1 3 408.591 -0.585 20 0 HBADHO O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554201447 1070058233 /nfs/dbraw/zinc/05/82/33/1070058233.db2.gz YXPNKGHXRLCICK-IBGZPJMESA-N 1 3 409.575 -0.421 20 0 HBADHO O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554201453 1070058135 /nfs/dbraw/zinc/05/81/35/1070058135.db2.gz YXPNKGHXRLCICK-LJQANCHMSA-N 1 3 409.575 -0.421 20 0 HBADHO O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000554201537 1070058280 /nfs/dbraw/zinc/05/82/80/1070058280.db2.gz ZXVCTYCDYYRBDP-FQEVSTJZSA-N 1 3 423.602 -0.030 20 0 HBADHO O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000554201538 1070058444 /nfs/dbraw/zinc/05/84/44/1070058444.db2.gz ZXVCTYCDYYRBDP-HXUWFJFHSA-N 1 3 423.602 -0.030 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000554269619 1070065424 /nfs/dbraw/zinc/06/54/24/1070065424.db2.gz RSGREZAUFJADSY-UHFFFAOYSA-N 1 3 406.531 -0.514 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000554342515 1070074570 /nfs/dbraw/zinc/07/45/70/1070074570.db2.gz GRJGPQLPAQSLNC-KRWDZBQOSA-N 1 3 424.590 -0.909 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000554342516 1070074283 /nfs/dbraw/zinc/07/42/83/1070074283.db2.gz GRJGPQLPAQSLNC-QGZVFWFLSA-N 1 3 424.590 -0.909 20 0 HBADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554772 1070092138 /nfs/dbraw/zinc/09/21/38/1070092138.db2.gz GCVGIXDMKOHMRR-IBGZPJMESA-N 1 3 422.618 -0.245 20 0 HBADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554772 1070092124 /nfs/dbraw/zinc/09/21/24/1070092124.db2.gz GCVGIXDMKOHMRR-IBGZPJMESA-N 1 3 422.618 -0.245 20 0 HBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554773 1070091970 /nfs/dbraw/zinc/09/19/70/1070091970.db2.gz GCVGIXDMKOHMRR-LJQANCHMSA-N 1 3 422.618 -0.245 20 0 HBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554773 1070091952 /nfs/dbraw/zinc/09/19/52/1070091952.db2.gz GCVGIXDMKOHMRR-LJQANCHMSA-N 1 3 422.618 -0.245 20 0 HBADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000555734048 1070235532 /nfs/dbraw/zinc/23/55/32/1070235532.db2.gz COBBXHUDSSTITJ-GOSISDBHSA-N 1 3 407.559 -0.010 20 0 HBADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000555734049 1070235650 /nfs/dbraw/zinc/23/56/50/1070235650.db2.gz COBBXHUDSSTITJ-SFHVURJKSA-N 1 3 407.559 -0.010 20 0 HBADHO CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000556015754 1070276278 /nfs/dbraw/zinc/27/62/78/1070276278.db2.gz FNLFJYBCJITRHF-IBGZPJMESA-N 1 3 410.607 -0.483 20 0 HBADHO CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC000556015755 1070276483 /nfs/dbraw/zinc/27/64/83/1070276483.db2.gz FNLFJYBCJITRHF-LJQANCHMSA-N 1 3 410.607 -0.483 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100092 1071874570 /nfs/dbraw/zinc/87/45/70/1071874570.db2.gz BASLPWSGFOKNSG-PMACEKPBSA-N 1 3 416.570 -0.547 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100093 1071874899 /nfs/dbraw/zinc/87/48/99/1071874899.db2.gz BASLPWSGFOKNSG-UXHICEINSA-N 1 3 416.570 -0.547 20 0 HBADHO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100094 1071874801 /nfs/dbraw/zinc/87/48/01/1071874801.db2.gz BASLPWSGFOKNSG-VQTJNVASSA-N 1 3 416.570 -0.547 20 0 HBADHO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000556100095 1071874676 /nfs/dbraw/zinc/87/46/76/1071874676.db2.gz BASLPWSGFOKNSG-WOJBJXKFSA-N 1 3 416.570 -0.547 20 0 HBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888176 /nfs/dbraw/zinc/88/81/76/1071888176.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 1 3 411.591 -0.176 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888173 /nfs/dbraw/zinc/88/81/73/1071888173.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 1 3 411.591 -0.176 20 0 HBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071888056 /nfs/dbraw/zinc/88/80/56/1071888056.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 1 3 411.591 -0.176 20 0 HBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071888046 /nfs/dbraw/zinc/88/80/46/1071888046.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 1 3 411.591 -0.176 20 0 HBADHO C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCCN3CCOCC3)ccn2)CC1 ZINC000556171645 1071889474 /nfs/dbraw/zinc/88/94/74/1071889474.db2.gz RCAFYOCVBADFTJ-UHFFFAOYSA-N 1 3 418.542 -0.322 20 0 HBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172524 1071889373 /nfs/dbraw/zinc/88/93/73/1071889373.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 1 3 422.618 -0.241 20 0 HBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172524 1071889368 /nfs/dbraw/zinc/88/93/68/1071889368.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 1 3 422.618 -0.241 20 0 HBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556172525 1071889548 /nfs/dbraw/zinc/88/95/48/1071889548.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 1 3 422.618 -0.241 20 0 HBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172525 1071889543 /nfs/dbraw/zinc/88/95/43/1071889543.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 1 3 422.618 -0.241 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355215 1071918958 /nfs/dbraw/zinc/91/89/58/1071918958.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355215 1071918951 /nfs/dbraw/zinc/91/89/51/1071918951.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355220 1071919088 /nfs/dbraw/zinc/91/90/88/1071919088.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355220 1071919082 /nfs/dbraw/zinc/91/90/82/1071919082.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355221 1071918821 /nfs/dbraw/zinc/91/88/21/1071918821.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355221 1071918816 /nfs/dbraw/zinc/91/88/16/1071918816.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355222 1071918875 /nfs/dbraw/zinc/91/88/75/1071918875.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CCN(C)CC1 ZINC000556355222 1071918868 /nfs/dbraw/zinc/91/88/68/1071918868.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 1 3 422.618 -0.385 20 0 HBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CN1CCN(C)CC1 ZINC000556356569 1071917036 /nfs/dbraw/zinc/91/70/36/1071917036.db2.gz LXUVTLSPZMKTFL-HOJAQTOUSA-N 1 3 423.602 -0.130 20 0 HBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000556356574 1071917087 /nfs/dbraw/zinc/91/70/87/1071917087.db2.gz LXUVTLSPZMKTFL-MISYRCLQSA-N 1 3 423.602 -0.130 20 0 HBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CN1CCN(C)CC1 ZINC000556356575 1071917301 /nfs/dbraw/zinc/91/73/01/1071917301.db2.gz LXUVTLSPZMKTFL-RLLQIKCJSA-N 1 3 423.602 -0.130 20 0 HBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CN1CCN(C)CC1 ZINC000556356576 1071917210 /nfs/dbraw/zinc/91/72/10/1071917210.db2.gz LXUVTLSPZMKTFL-YZGWKJHDSA-N 1 3 423.602 -0.130 20 0 HBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000556369357 1071922087 /nfs/dbraw/zinc/92/20/87/1071922087.db2.gz JAJFKGQVEWSKFT-PMACEKPBSA-N 1 3 423.602 -0.053 20 0 HBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000556369358 1071922577 /nfs/dbraw/zinc/92/25/77/1071922577.db2.gz JAJFKGQVEWSKFT-UXHICEINSA-N 1 3 423.602 -0.053 20 0 HBADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000559562435 1068664061 /nfs/dbraw/zinc/66/40/61/1068664061.db2.gz WZACCAQFKLYUGP-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000559562435 1068664051 /nfs/dbraw/zinc/66/40/51/1068664051.db2.gz WZACCAQFKLYUGP-QGZVFWFLSA-N 1 3 404.515 -0.714 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903633 1068685253 /nfs/dbraw/zinc/68/52/53/1068685253.db2.gz JMEHXCJCHHYOLQ-GOSISDBHSA-N 1 3 405.543 -0.258 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903634 1068685312 /nfs/dbraw/zinc/68/53/12/1068685312.db2.gz JMEHXCJCHHYOLQ-SFHVURJKSA-N 1 3 405.543 -0.258 20 0 HBADHO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000564334298 1072067560 /nfs/dbraw/zinc/06/75/60/1072067560.db2.gz KGVXMLIVMJHZEB-INIZCTEOSA-N 1 3 421.546 -0.534 20 0 HBADHO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000564334300 1072067454 /nfs/dbraw/zinc/06/74/54/1072067454.db2.gz KGVXMLIVMJHZEB-MRXNPFEDSA-N 1 3 421.546 -0.534 20 0 HBADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000564343531 1072074788 /nfs/dbraw/zinc/07/47/88/1072074788.db2.gz PQSOVGFXHNNPIK-KRWDZBQOSA-N 1 3 409.575 -0.160 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000568832740 1070437786 /nfs/dbraw/zinc/43/77/86/1070437786.db2.gz QOUXIDOAVNWLOQ-UHFFFAOYSA-N 1 3 413.544 -0.027 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000571541908 1070720941 /nfs/dbraw/zinc/72/09/41/1070720941.db2.gz AZFQNUBPKNBLIN-UHFFFAOYSA-N 1 3 407.515 -0.048 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000571806987 1070735078 /nfs/dbraw/zinc/73/50/78/1070735078.db2.gz UKYSTKJPWRGKCM-UHFFFAOYSA-N 1 3 424.521 -0.375 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000573790206 1070885957 /nfs/dbraw/zinc/88/59/57/1070885957.db2.gz IYKVZYSBNKGPSR-KRWDZBQOSA-N 1 3 404.515 -0.355 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000573790207 1070886365 /nfs/dbraw/zinc/88/63/65/1070886365.db2.gz IYKVZYSBNKGPSR-QGZVFWFLSA-N 1 3 404.515 -0.355 20 0 HBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000580364971 1068392625 /nfs/dbraw/zinc/39/26/25/1068392625.db2.gz GPRXULWBMCEBLF-UHFFFAOYSA-N 1 3 405.543 -0.256 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000580471520 1068403709 /nfs/dbraw/zinc/40/37/09/1068403709.db2.gz VUTKENOOCHXLTH-BEFAXECRSA-N 1 3 411.572 -0.695 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000580471521 1068403874 /nfs/dbraw/zinc/40/38/74/1068403874.db2.gz VUTKENOOCHXLTH-DNVCBOLYSA-N 1 3 411.572 -0.695 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000580471522 1069327338 /nfs/dbraw/zinc/32/73/38/1069327338.db2.gz VUTKENOOCHXLTH-HNAYVOBHSA-N 1 3 411.572 -0.695 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000580471523 1068403584 /nfs/dbraw/zinc/40/35/84/1068403584.db2.gz VUTKENOOCHXLTH-KXBFYZLASA-N 1 3 411.572 -0.695 20 0 HBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000581205680 1068467045 /nfs/dbraw/zinc/46/70/45/1068467045.db2.gz NZMTUQSQHWRNHU-IBGZPJMESA-N 1 3 413.588 -0.401 20 0 HBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000581205683 1068467289 /nfs/dbraw/zinc/46/72/89/1068467289.db2.gz NZMTUQSQHWRNHU-LJQANCHMSA-N 1 3 413.588 -0.401 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000581206151 1068468035 /nfs/dbraw/zinc/46/80/35/1068468035.db2.gz UGOWIQFPKFAWKM-UHFFFAOYSA-N 1 3 406.531 -0.514 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000581451112 1068492263 /nfs/dbraw/zinc/49/22/63/1068492263.db2.gz MQTIVISIPNIIPF-CYBMUJFWSA-N 1 3 409.453 -0.392 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000581451113 1068492236 /nfs/dbraw/zinc/49/22/36/1068492236.db2.gz MQTIVISIPNIIPF-ZDUSSCGKSA-N 1 3 409.453 -0.392 20 0 HBADHO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561883 1068498067 /nfs/dbraw/zinc/49/80/67/1068498067.db2.gz OOPODAJWXBLEDU-IBGZPJMESA-N 1 3 411.591 -0.056 20 0 HBADHO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561884 1068498036 /nfs/dbraw/zinc/49/80/36/1068498036.db2.gz OOPODAJWXBLEDU-LJQANCHMSA-N 1 3 411.591 -0.056 20 0 HBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599484 1068501244 /nfs/dbraw/zinc/50/12/44/1068501244.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599484 1068501230 /nfs/dbraw/zinc/50/12/30/1068501230.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599485 1068501519 /nfs/dbraw/zinc/50/15/19/1068501519.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599485 1068501505 /nfs/dbraw/zinc/50/15/05/1068501505.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599486 1068501635 /nfs/dbraw/zinc/50/16/35/1068501635.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599486 1068501625 /nfs/dbraw/zinc/50/16/25/1068501625.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599487 1068501363 /nfs/dbraw/zinc/50/13/63/1068501363.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 1 3 409.575 -0.565 20 0 HBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000581599487 1068501351 /nfs/dbraw/zinc/50/13/51/1068501351.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 1 3 409.575 -0.565 20 0 HBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000582112523 1068657387 /nfs/dbraw/zinc/65/73/87/1068657387.db2.gz BEYMMWHXMMXRTK-UHFFFAOYSA-N 1 3 409.575 -0.301 20 0 HBADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000582196687 1068668792 /nfs/dbraw/zinc/66/87/92/1068668792.db2.gz ZURIYHFPNCTXBH-IBGZPJMESA-N 1 3 409.575 -0.160 20 0 HBADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000582196688 1068668492 /nfs/dbraw/zinc/66/84/92/1068668492.db2.gz ZURIYHFPNCTXBH-LJQANCHMSA-N 1 3 409.575 -0.160 20 0 HBADHO C[C@H]1C[C@@H](CO)CCN1CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000582444129 1068693007 /nfs/dbraw/zinc/69/30/07/1068693007.db2.gz SUEVWJVRMHPDFF-MUGJNUQGSA-N 1 3 424.586 -0.157 20 0 HBADHO C[C@H]1C[C@@H](CO)CCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000582444129 1068693001 /nfs/dbraw/zinc/69/30/01/1068693001.db2.gz SUEVWJVRMHPDFF-MUGJNUQGSA-N 1 3 424.586 -0.157 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000582448357 1068694432 /nfs/dbraw/zinc/69/44/32/1068694432.db2.gz BKEPTOOJDVHVAW-UHFFFAOYSA-N 1 3 407.559 -0.010 20 0 HBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569676 1068703441 /nfs/dbraw/zinc/70/34/41/1068703441.db2.gz ZBBOJRFSAUHRJR-HOJAQTOUSA-N 1 3 423.602 -0.130 20 0 HBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569680 1068703159 /nfs/dbraw/zinc/70/31/59/1068703159.db2.gz ZBBOJRFSAUHRJR-MISYRCLQSA-N 1 3 423.602 -0.130 20 0 HBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569681 1068703472 /nfs/dbraw/zinc/70/34/72/1068703472.db2.gz ZBBOJRFSAUHRJR-RLLQIKCJSA-N 1 3 423.602 -0.130 20 0 HBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569682 1068703585 /nfs/dbraw/zinc/70/35/85/1068703585.db2.gz ZBBOJRFSAUHRJR-YZGWKJHDSA-N 1 3 423.602 -0.130 20 0 HBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000582716797 1068720726 /nfs/dbraw/zinc/72/07/26/1068720726.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000582716797 1068720721 /nfs/dbraw/zinc/72/07/21/1068720721.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000582716798 1068720339 /nfs/dbraw/zinc/72/03/39/1068720339.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000582716798 1068720335 /nfs/dbraw/zinc/72/03/35/1068720335.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000582716799 1068720582 /nfs/dbraw/zinc/72/05/82/1068720582.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000582716799 1068720572 /nfs/dbraw/zinc/72/05/72/1068720572.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000582716800 1068720471 /nfs/dbraw/zinc/72/04/71/1068720471.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 1 3 407.559 -0.012 20 0 HBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000582716800 1068720463 /nfs/dbraw/zinc/72/04/63/1068720463.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 1 3 407.559 -0.012 20 0 HBADHO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000583135485 1068761253 /nfs/dbraw/zinc/76/12/53/1068761253.db2.gz ZDBWSVYAAPCWSP-UHFFFAOYSA-N 1 3 413.544 -0.837 20 0 HBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583343032 1068778956 /nfs/dbraw/zinc/77/89/56/1068778956.db2.gz CLUVERMYSWMXAB-GOSISDBHSA-N 1 3 418.542 -0.359 20 0 HBADHO 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ZINC000583949246 1068834881 /nfs/dbraw/zinc/83/48/81/1068834881.db2.gz SJLZMLPCBPSPET-GOSISDBHSA-N 1 3 409.575 -0.158 20 0 HBADHO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N(C)C)cc1OC ZINC000584186198 1068848798 /nfs/dbraw/zinc/84/87/98/1068848798.db2.gz VTBBPFZDDGFKIU-DLBZAZTESA-N 1 3 421.542 -0.215 20 0 HBADHO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)N(C)C)cc1OC ZINC000584186198 1068848783 /nfs/dbraw/zinc/84/87/83/1068848783.db2.gz VTBBPFZDDGFKIU-DLBZAZTESA-N 1 3 421.542 -0.215 20 0 HBADHO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)N(C)C)cc1OC ZINC000584186199 1068848443 /nfs/dbraw/zinc/84/84/43/1068848443.db2.gz VTBBPFZDDGFKIU-IAGOWNOFSA-N 1 3 421.542 -0.215 20 0 HBADHO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)N(C)C)cc1OC ZINC000584186199 1068848432 /nfs/dbraw/zinc/84/84/32/1068848432.db2.gz VTBBPFZDDGFKIU-IAGOWNOFSA-N 1 3 421.542 -0.215 20 0 HBADHO COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)N(C)C)cc1OC ZINC000584186200 1068848614 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C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(CC4CCOCC4)CC3)C2)CC1 ZINC000672643475 1069262249 /nfs/dbraw/zinc/26/22/49/1069262249.db2.gz ZNOVQARNUJSXAG-LJQANCHMSA-N 1 3 421.586 -0.158 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1(C)C ZINC000672854681 1069273790 /nfs/dbraw/zinc/27/37/90/1069273790.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 1 3 408.591 -0.633 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1(C)C ZINC000672854681 1069273787 /nfs/dbraw/zinc/27/37/87/1069273787.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 1 3 408.591 -0.633 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1(C)C ZINC000672854682 1069273749 /nfs/dbraw/zinc/27/37/49/1069273749.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 1 3 408.591 -0.633 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1(C)C ZINC000672854682 1069273744 /nfs/dbraw/zinc/27/37/44/1069273744.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 1 3 408.591 -0.633 20 0 HBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092793 1069509137 /nfs/dbraw/zinc/50/91/37/1069509137.db2.gz ARNVCYCXNVNDBP-INIZCTEOSA-N 1 3 407.519 -0.558 20 0 HBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092794 1069509178 /nfs/dbraw/zinc/50/91/78/1069509178.db2.gz ARNVCYCXNVNDBP-MRXNPFEDSA-N 1 3 407.519 -0.558 20 0 HBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676093893 1069509589 /nfs/dbraw/zinc/50/95/89/1069509589.db2.gz ARPDGICNJWUGON-UHFFFAOYSA-N 1 3 407.519 -0.604 20 0 HBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000676093941 1069509506 /nfs/dbraw/zinc/50/95/06/1069509506.db2.gz CGWDGSGABSGPAA-UHFFFAOYSA-N 1 3 405.503 -0.850 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 ZINC000676095778 1069509476 /nfs/dbraw/zinc/50/94/76/1069509476.db2.gz WQGBYQHAJNJINS-HNNXBMFYSA-N 1 3 405.503 -0.900 20 0 HBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000676095860 1069509553 /nfs/dbraw/zinc/50/95/53/1069509553.db2.gz WQGBYQHAJNJINS-OAHLLOKOSA-N 1 3 405.503 -0.900 20 0 HBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099447 1069510661 /nfs/dbraw/zinc/51/06/61/1069510661.db2.gz BAYQCTMWAGKALP-INIZCTEOSA-N 1 3 405.503 -0.852 20 0 HBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099448 1069510576 /nfs/dbraw/zinc/51/05/76/1069510576.db2.gz BAYQCTMWAGKALP-MRXNPFEDSA-N 1 3 405.503 -0.852 20 0 HBADHO CS(=O)(=O)N[C@H]1CCN(CCCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077674 1069923284 /nfs/dbraw/zinc/92/32/84/1069923284.db2.gz DXYOKESVGVIXEZ-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@H]1CCN(CCCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077674 1069923273 /nfs/dbraw/zinc/92/32/73/1069923273.db2.gz DXYOKESVGVIXEZ-HOTGVXAUSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000735077675 1069923150 /nfs/dbraw/zinc/92/31/50/1069923150.db2.gz DXYOKESVGVIXEZ-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000735077675 1069923137 /nfs/dbraw/zinc/92/31/37/1069923137.db2.gz DXYOKESVGVIXEZ-HZPDHXFCSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923054 /nfs/dbraw/zinc/92/30/54/1069923054.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923044 /nfs/dbraw/zinc/92/30/44/1069923044.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923033 /nfs/dbraw/zinc/92/30/33/1069923033.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069923026 /nfs/dbraw/zinc/92/30/26/1069923026.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 1 3 410.606 -0.206 20 0 HBADHO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCCC1 ZINC000768718263 1070215474 /nfs/dbraw/zinc/21/54/74/1070215474.db2.gz YJAPWFUXHJGJRX-HNNXBMFYSA-N 1 3 407.519 -0.510 20 0 HBADHO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCCC1 ZINC000768718264 1070215495 /nfs/dbraw/zinc/21/54/95/1070215495.db2.gz YJAPWFUXHJGJRX-OAHLLOKOSA-N 1 3 407.519 -0.510 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000787121200 1070355655 /nfs/dbraw/zinc/35/56/55/1070355655.db2.gz DWUGRUWYTQCZAN-GOSISDBHSA-N 1 3 409.575 -0.112 20 0 HBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000787121202 1070355336 /nfs/dbraw/zinc/35/53/36/1070355336.db2.gz DWUGRUWYTQCZAN-SFHVURJKSA-N 1 3 409.575 -0.112 20 0 HBADHO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000808222729 1070726538 /nfs/dbraw/zinc/72/65/38/1070726538.db2.gz HRJZLTDVTPXZAQ-JVSBHGNQSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000808222729 1070726523 /nfs/dbraw/zinc/72/65/23/1070726523.db2.gz HRJZLTDVTPXZAQ-JVSBHGNQSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000808222731 1070726336 /nfs/dbraw/zinc/72/63/36/1070726336.db2.gz HRJZLTDVTPXZAQ-WTGUMLROSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222731 1070726327 /nfs/dbraw/zinc/72/63/27/1070726327.db2.gz HRJZLTDVTPXZAQ-WTGUMLROSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000808222732 1070726484 /nfs/dbraw/zinc/72/64/84/1070726484.db2.gz HRJZLTDVTPXZAQ-YRPNKDGESA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222732 1070726477 /nfs/dbraw/zinc/72/64/77/1070726477.db2.gz HRJZLTDVTPXZAQ-YRPNKDGESA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222735 1070726423 /nfs/dbraw/zinc/72/64/23/1070726423.db2.gz HRJZLTDVTPXZAQ-ZRNYENFQSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)CN1CCCC1 ZINC000819837135 1070988327 /nfs/dbraw/zinc/98/83/27/1070988327.db2.gz HPJPOTOQBAEWHP-IYWMVGAKSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837135 1070988313 /nfs/dbraw/zinc/98/83/13/1070988313.db2.gz HPJPOTOQBAEWHP-IYWMVGAKSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837136 1070988498 /nfs/dbraw/zinc/98/84/98/1070988498.db2.gz HPJPOTOQBAEWHP-UAFMIMERSA-N 1 3 424.586 -0.061 20 0 HBADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837137 1070988276 /nfs/dbraw/zinc/98/82/76/1070988276.db2.gz HPJPOTOQBAEWHP-VNTMZGSJSA-N 1 3 424.586 -0.061 20 0 HBADHO CNC(=O)/C=C/C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001144089511 1071038538 /nfs/dbraw/zinc/03/85/38/1071038538.db2.gz JJJSNHIKAJLABU-GSYUBITKSA-N 1 3 400.520 -0.416 20 0 HBADHO CNC(=O)/C=C/C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001144089512 1071038577 /nfs/dbraw/zinc/03/85/77/1071038577.db2.gz JJJSNHIKAJLABU-IWNQWLRQSA-N 1 3 400.520 -0.416 20 0 HBADHO CNC(=O)/C=C/C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001144089513 1071038672 /nfs/dbraw/zinc/03/86/72/1071038672.db2.gz JJJSNHIKAJLABU-SVJHCKGXSA-N 1 3 400.520 -0.416 20 0 HBADHO CNC(=O)/C=C/C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001144089514 1071038722 /nfs/dbraw/zinc/03/87/22/1071038722.db2.gz JJJSNHIKAJLABU-ZVAVGQFWSA-N 1 3 400.520 -0.416 20 0 HBADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146254367 1071084783 /nfs/dbraw/zinc/08/47/83/1071084783.db2.gz BFGAZVYVLNXKNE-CVEARBPZSA-N 1 3 402.561 -0.148 20 0 HBADHO CN(C)CCCN(CCCN(C)C)C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146254367 1071084778 /nfs/dbraw/zinc/08/47/78/1071084778.db2.gz BFGAZVYVLNXKNE-CVEARBPZSA-N 1 3 402.561 -0.148 20 0 HBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977614 1071102750 /nfs/dbraw/zinc/10/27/50/1071102750.db2.gz ODKUAOGIUBCDGS-ARFHVFGLSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977614 1071102745 /nfs/dbraw/zinc/10/27/45/1071102745.db2.gz ODKUAOGIUBCDGS-ARFHVFGLSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977619 1071102676 /nfs/dbraw/zinc/10/26/76/1071102676.db2.gz ODKUAOGIUBCDGS-HRCADAONSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001146977619 1071102671 /nfs/dbraw/zinc/10/26/71/1071102671.db2.gz ODKUAOGIUBCDGS-HRCADAONSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977621 1071102706 /nfs/dbraw/zinc/10/27/06/1071102706.db2.gz ODKUAOGIUBCDGS-JYJNAYRXSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977621 1071102704 /nfs/dbraw/zinc/10/27/04/1071102704.db2.gz ODKUAOGIUBCDGS-JYJNAYRXSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977623 1071102620 /nfs/dbraw/zinc/10/26/20/1071102620.db2.gz ODKUAOGIUBCDGS-XHSDSOJGSA-N 1 3 402.561 -0.590 20 0 HBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001146977623 1071102616 /nfs/dbraw/zinc/10/26/16/1071102616.db2.gz ODKUAOGIUBCDGS-XHSDSOJGSA-N 1 3 402.561 -0.590 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001147629484 1071117345 /nfs/dbraw/zinc/11/73/45/1071117345.db2.gz AOJZVGUJRGDMQE-HEWKYXSKSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001147629488 1071117193 /nfs/dbraw/zinc/11/71/93/1071117193.db2.gz AOJZVGUJRGDMQE-PHRGQOSZSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001147629489 1071117387 /nfs/dbraw/zinc/11/73/87/1071117387.db2.gz AOJZVGUJRGDMQE-UADLYPOBSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001147629490 1071117375 /nfs/dbraw/zinc/11/73/75/1071117375.db2.gz AOJZVGUJRGDMQE-ULFFPRONSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)C[C@H]1Cn2ccnc2CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164732737 720505644 /nfs/dbraw/zinc/50/56/44/720505644.db2.gz WDWIJIFQYFZZRE-AWEZNQCLSA-N 1 3 419.555 -0.037 20 0 HBADHO CN(C)C[C@@H]1Cn2ccnc2CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164732738 720505506 /nfs/dbraw/zinc/50/55/06/720505506.db2.gz WDWIJIFQYFZZRE-CQSZACIVSA-N 1 3 419.555 -0.037 20 0 HBADHO C[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126489 1070459078 /nfs/dbraw/zinc/45/90/78/1070459078.db2.gz ZIVFDZVNHJVWCG-HJWJTTGWSA-N 1 3 421.546 -0.671 20 0 HBADHO C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126490 1070459089 /nfs/dbraw/zinc/45/90/89/1070459089.db2.gz ZIVFDZVNHJVWCG-IWCQGFGOSA-N 1 3 421.546 -0.671 20 0 HBADHO C[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126491 1070459447 /nfs/dbraw/zinc/45/94/47/1070459447.db2.gz ZIVFDZVNHJVWCG-ORQFMDKSSA-N 1 3 421.546 -0.671 20 0 HBADHO C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126492 1070459315 /nfs/dbraw/zinc/45/93/15/1070459315.db2.gz ZIVFDZVNHJVWCG-SIXLDLHFSA-N 1 3 421.546 -0.671 20 0 HBADHO CN1[C@@H]2CCC[C@H]1C[C@@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107622 1071174421 /nfs/dbraw/zinc/17/44/21/1071174421.db2.gz AIHNSXLFQMUDQZ-MZHQWRCYSA-N 1 3 403.487 -0.030 20 0 HBADHO CN1[C@@H]2CCC[C@H]1C[C@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107628 1071174396 /nfs/dbraw/zinc/17/43/96/1071174396.db2.gz AIHNSXLFQMUDQZ-PMKSJIGOSA-N 1 3 403.487 -0.030 20 0 HBADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110336 1071174686 /nfs/dbraw/zinc/17/46/86/1071174686.db2.gz LJTNCLLDRBNVSG-ASVXTDKMSA-N 1 3 403.487 -0.367 20 0 HBADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110338 1071175312 /nfs/dbraw/zinc/17/53/12/1071175312.db2.gz LJTNCLLDRBNVSG-BGEFAGLPSA-N 1 3 403.487 -0.367 20 0 HBADHO COCCCN1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001172250838 1071176978 /nfs/dbraw/zinc/17/69/78/1071176978.db2.gz XNSYHVUDMLONBU-RRFJBIMHSA-N 1 3 421.502 -0.544 20 0 HBADHO CCN1CC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357675 1071184783 /nfs/dbraw/zinc/18/47/83/1071184783.db2.gz QYVCGGSLWZORIK-BZSNNMDCSA-N 1 3 417.558 -0.485 20 0 HBADHO CCN1CC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357676 1071184947 /nfs/dbraw/zinc/18/49/47/1071184947.db2.gz QYVCGGSLWZORIK-SQNIBIBYSA-N 1 3 417.558 -0.485 20 0 HBADHO O=C(Cc1c[nH]cn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001176829344 1071240517 /nfs/dbraw/zinc/24/05/17/1071240517.db2.gz PRDGSXOOKKAOBX-LSDHHAIUSA-N 1 3 402.480 -0.216 20 0 HBADHO Cc1nnc(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441598 1071260977 /nfs/dbraw/zinc/26/09/77/1071260977.db2.gz WJCWLZNPVRAOKO-LGEZUQEUSA-N 1 3 412.535 -0.049 20 0 HBADHO Cc1nnc(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441599 1071261172 /nfs/dbraw/zinc/26/11/72/1071261172.db2.gz WJCWLZNPVRAOKO-LYHUEXMXSA-N 1 3 412.535 -0.049 20 0 HBADHO Cc1nnc(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441600 1071261050 /nfs/dbraw/zinc/26/10/50/1071261050.db2.gz WJCWLZNPVRAOKO-PUMWCKSCSA-N 1 3 412.535 -0.049 20 0 HBADHO Cc1nnc(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441601 1071260928 /nfs/dbraw/zinc/26/09/28/1071260928.db2.gz WJCWLZNPVRAOKO-TZUPDSNESA-N 1 3 412.535 -0.049 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](O)OC(C)(C)C)C1 ZINC001178529655 1071292448 /nfs/dbraw/zinc/29/24/48/1071292448.db2.gz XZTPUXKKMSBPTA-FFPHAYDPSA-N 1 3 414.547 -0.240 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001178529656 1071292497 /nfs/dbraw/zinc/29/24/97/1071292497.db2.gz XZTPUXKKMSBPTA-LSBKGPGRSA-N 1 3 414.547 -0.240 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](O)OC(C)(C)C)C1 ZINC001178529657 1071292537 /nfs/dbraw/zinc/29/25/37/1071292537.db2.gz XZTPUXKKMSBPTA-MZFDWZRLSA-N 1 3 414.547 -0.240 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001178529658 1071292982 /nfs/dbraw/zinc/29/29/82/1071292982.db2.gz XZTPUXKKMSBPTA-SOAYJNKUSA-N 1 3 414.547 -0.240 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180260755 1071333467 /nfs/dbraw/zinc/33/34/67/1071333467.db2.gz WMMSTBZPLSUYAZ-HEWKYXSKSA-N 1 3 413.519 -0.452 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180260756 1071333576 /nfs/dbraw/zinc/33/35/76/1071333576.db2.gz WMMSTBZPLSUYAZ-PHRGQOSZSA-N 1 3 413.519 -0.452 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180260757 1071333804 /nfs/dbraw/zinc/33/38/04/1071333804.db2.gz WMMSTBZPLSUYAZ-UADLYPOBSA-N 1 3 413.519 -0.452 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180260758 1071333519 /nfs/dbraw/zinc/33/35/19/1071333519.db2.gz WMMSTBZPLSUYAZ-ULFFPRONSA-N 1 3 413.519 -0.452 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763274 1071357066 /nfs/dbraw/zinc/35/70/66/1071357066.db2.gz IXSUUZBWVSOUFC-LAIMCUOGSA-N 1 3 416.563 -0.387 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763277 1071356932 /nfs/dbraw/zinc/35/69/32/1071356932.db2.gz IXSUUZBWVSOUFC-QQPKDZIPSA-N 1 3 416.563 -0.387 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763281 1071357339 /nfs/dbraw/zinc/35/73/39/1071357339.db2.gz IXSUUZBWVSOUFC-RKYZWWOHSA-N 1 3 416.563 -0.387 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763284 1071357154 /nfs/dbraw/zinc/35/71/54/1071357154.db2.gz IXSUUZBWVSOUFC-ZRLASGMHSA-N 1 3 416.563 -0.387 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COCCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181006421 1071364806 /nfs/dbraw/zinc/36/48/06/1071364806.db2.gz ZOAQYWCSNOWFNQ-QPMXBGOESA-N 1 3 403.520 -0.303 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COCCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181006422 1071364686 /nfs/dbraw/zinc/36/46/86/1071364686.db2.gz ZOAQYWCSNOWFNQ-VVHNNWHFSA-N 1 3 403.520 -0.303 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COCCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181006423 1071364605 /nfs/dbraw/zinc/36/46/05/1071364605.db2.gz ZOAQYWCSNOWFNQ-ZAQXRACLSA-N 1 3 403.520 -0.303 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COCCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181006424 1071364622 /nfs/dbraw/zinc/36/46/22/1071364622.db2.gz ZOAQYWCSNOWFNQ-ZRNNSCFXSA-N 1 3 403.520 -0.303 20 0 HBADHO Cn1nnc2c1CCN(C(=O)C1(O)CCN(C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001182031552 1071385851 /nfs/dbraw/zinc/38/58/51/1071385851.db2.gz NUXSKNNGYAZLMD-KRWDZBQOSA-N 1 3 406.531 -0.190 20 0 HBADHO Cn1nnc2c1CCN(C(=O)C1(O)CCN(C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001182031563 1071385886 /nfs/dbraw/zinc/38/58/86/1071385886.db2.gz NUXSKNNGYAZLMD-QGZVFWFLSA-N 1 3 406.531 -0.190 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001182386719 1071406085 /nfs/dbraw/zinc/40/60/85/1071406085.db2.gz SNDJFGGKXSVWDQ-KEMJIEQFSA-N 1 3 400.520 -0.597 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001182386720 1071406221 /nfs/dbraw/zinc/40/62/21/1071406221.db2.gz SNDJFGGKXSVWDQ-QOOVDTBMSA-N 1 3 400.520 -0.597 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001182386721 1071406047 /nfs/dbraw/zinc/40/60/47/1071406047.db2.gz SNDJFGGKXSVWDQ-XDFRTVLBSA-N 1 3 400.520 -0.597 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001182386722 1071406167 /nfs/dbraw/zinc/40/61/67/1071406167.db2.gz SNDJFGGKXSVWDQ-XYAPYXASSA-N 1 3 400.520 -0.597 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183030340 1071444214 /nfs/dbraw/zinc/44/42/14/1071444214.db2.gz GTTDYALMYAYGEY-BEBXJFISSA-N 1 3 400.520 -0.582 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183030341 1071444338 /nfs/dbraw/zinc/44/43/38/1071444338.db2.gz GTTDYALMYAYGEY-LJVDNRPASA-N 1 3 400.520 -0.582 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183030342 1071444281 /nfs/dbraw/zinc/44/42/81/1071444281.db2.gz GTTDYALMYAYGEY-PYQQHIPCSA-N 1 3 400.520 -0.582 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183030343 1071444158 /nfs/dbraw/zinc/44/41/58/1071444158.db2.gz GTTDYALMYAYGEY-RMGSKACKSA-N 1 3 400.520 -0.582 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001183077865 1071448734 /nfs/dbraw/zinc/44/87/34/1071448734.db2.gz YDGKGEAKFOAWSX-DFIGXFEKSA-N 1 3 415.535 -0.694 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001183077866 1071448800 /nfs/dbraw/zinc/44/88/00/1071448800.db2.gz YDGKGEAKFOAWSX-FEYHDCIHSA-N 1 3 415.535 -0.694 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001183077867 1071448889 /nfs/dbraw/zinc/44/88/89/1071448889.db2.gz YDGKGEAKFOAWSX-PPAQHCMJSA-N 1 3 415.535 -0.694 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001183077868 1071448700 /nfs/dbraw/zinc/44/87/00/1071448700.db2.gz YDGKGEAKFOAWSX-XFEXQEHJSA-N 1 3 415.535 -0.694 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001184046980 1071487533 /nfs/dbraw/zinc/48/75/33/1071487533.db2.gz NOTVJYCJLQMYAX-BWJWTDLKSA-N 1 3 403.520 -0.709 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001184046986 1071487445 /nfs/dbraw/zinc/48/74/45/1071487445.db2.gz NOTVJYCJLQMYAX-JGFGOLAASA-N 1 3 403.520 -0.709 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001184046987 1071487556 /nfs/dbraw/zinc/48/75/56/1071487556.db2.gz NOTVJYCJLQMYAX-NBFUAULTSA-N 1 3 403.520 -0.709 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001184046988 1071487511 /nfs/dbraw/zinc/48/75/11/1071487511.db2.gz NOTVJYCJLQMYAX-WNZSCWOMSA-N 1 3 403.520 -0.709 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC(=O)N2C)[C@H](O)OC(C)(C)C)C1 ZINC001184332476 1071492869 /nfs/dbraw/zinc/49/28/69/1071492869.db2.gz BCKBIZWIYAGLGG-AZQUSHFISA-N 1 3 414.547 -0.097 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC(=O)N2C)[C@H](O)OC(C)(C)C)C1 ZINC001184332477 1071492763 /nfs/dbraw/zinc/49/27/63/1071492763.db2.gz BCKBIZWIYAGLGG-FUZQMIKYSA-N 1 3 414.547 -0.097 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)OC(C)(C)C)C1 ZINC001184332478 1071492797 /nfs/dbraw/zinc/49/27/97/1071492797.db2.gz BCKBIZWIYAGLGG-KDWNQABDSA-N 1 3 414.547 -0.097 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)OC(C)(C)C)C1 ZINC001184332479 1071492745 /nfs/dbraw/zinc/49/27/45/1071492745.db2.gz BCKBIZWIYAGLGG-SWLGVLRJSA-N 1 3 414.547 -0.097 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054551 1071541262 /nfs/dbraw/zinc/54/12/62/1071541262.db2.gz FQNYRQRGQXYBGQ-FCXOMPEDSA-N 1 3 416.563 -0.651 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054556 1071541163 /nfs/dbraw/zinc/54/11/63/1071541163.db2.gz FQNYRQRGQXYBGQ-HDVFIIHRSA-N 1 3 416.563 -0.651 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054558 1071541314 /nfs/dbraw/zinc/54/13/14/1071541314.db2.gz FQNYRQRGQXYBGQ-SCVNYCPESA-N 1 3 416.563 -0.651 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054561 1071541382 /nfs/dbraw/zinc/54/13/82/1071541382.db2.gz FQNYRQRGQXYBGQ-UPHDCGPKSA-N 1 3 416.563 -0.651 20 0 HBADHO COC(=O)[C@H]1CCN(CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001186105699 1071543526 /nfs/dbraw/zinc/54/35/26/1071543526.db2.gz GOERXVAKRADNPO-INIZCTEOSA-N 1 3 404.515 -0.532 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001187337979 1071587758 /nfs/dbraw/zinc/58/77/58/1071587758.db2.gz ZXUGJUZREMHKHC-AJFIWVJRSA-N 1 3 414.547 -0.443 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001187337980 1071587733 /nfs/dbraw/zinc/58/77/33/1071587733.db2.gz ZXUGJUZREMHKHC-AOILIUCDSA-N 1 3 414.547 -0.443 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001187337981 1071587795 /nfs/dbraw/zinc/58/77/95/1071587795.db2.gz ZXUGJUZREMHKHC-KWFCSAJOSA-N 1 3 414.547 -0.443 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001187337982 1071587836 /nfs/dbraw/zinc/58/78/36/1071587836.db2.gz ZXUGJUZREMHKHC-MUMMTRGTSA-N 1 3 414.547 -0.443 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@@H](O)OC(C)(C)C)C1 ZINC001189122227 1071618484 /nfs/dbraw/zinc/61/84/84/1071618484.db2.gz RNDHLMMSFJIRMG-FZZNLJMESA-N 1 3 410.519 -0.032 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@H](O)OC(C)(C)C)C1 ZINC001189122229 1071618499 /nfs/dbraw/zinc/61/84/99/1071618499.db2.gz RNDHLMMSFJIRMG-QAROQHHFSA-N 1 3 410.519 -0.032 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@H](O)OC(C)(C)C)C1 ZINC001189122231 1071618384 /nfs/dbraw/zinc/61/83/84/1071618384.db2.gz RNDHLMMSFJIRMG-RUNRAXEVSA-N 1 3 410.519 -0.032 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@@H](O)OC(C)(C)C)C1 ZINC001189122233 1071618416 /nfs/dbraw/zinc/61/84/16/1071618416.db2.gz RNDHLMMSFJIRMG-XWKYAYKISA-N 1 3 410.519 -0.032 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001191518323 1071655090 /nfs/dbraw/zinc/65/50/90/1071655090.db2.gz LDSHQPRCEFPLFU-DRNBVBJMSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001191518324 1071655018 /nfs/dbraw/zinc/65/50/18/1071655018.db2.gz LDSHQPRCEFPLFU-HBRUNIRZSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001191518325 1071654891 /nfs/dbraw/zinc/65/48/91/1071654891.db2.gz LDSHQPRCEFPLFU-LIHYCIDNSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001191518326 1071655473 /nfs/dbraw/zinc/65/54/73/1071655473.db2.gz LDSHQPRCEFPLFU-QINXNJMQSA-N 1 3 411.503 -0.321 20 0 HBADHO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001194088712 1071697473 /nfs/dbraw/zinc/69/74/73/1071697473.db2.gz UQZPJJJJWDHDPZ-IBGZPJMESA-N 1 3 417.620 -0.660 20 0 HBADHO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001194088713 1071698129 /nfs/dbraw/zinc/69/81/29/1071698129.db2.gz UQZPJJJJWDHDPZ-LJQANCHMSA-N 1 3 417.620 -0.660 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001196169448 1071735170 /nfs/dbraw/zinc/73/51/70/1071735170.db2.gz QDKNRBAVBBAQHX-HEWKYXSKSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001196169453 1071735104 /nfs/dbraw/zinc/73/51/04/1071735104.db2.gz QDKNRBAVBBAQHX-PHRGQOSZSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001196169454 1071735089 /nfs/dbraw/zinc/73/50/89/1071735089.db2.gz QDKNRBAVBBAQHX-UADLYPOBSA-N 1 3 411.503 -0.321 20 0 HBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001196169455 1071735240 /nfs/dbraw/zinc/73/52/40/1071735240.db2.gz QDKNRBAVBBAQHX-ULFFPRONSA-N 1 3 411.503 -0.321 20 0 HBADHO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001212022937 1069304120 /nfs/dbraw/zinc/30/41/20/1069304120.db2.gz JVPSEEHNGOLNOL-BBRMVZONSA-N 1 3 415.498 -0.136 20 0 HBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001626081732 1069372403 /nfs/dbraw/zinc/37/24/03/1069372403.db2.gz OFZSKGYXOHDVHP-UHFFFAOYSA-N 1 3 416.588 -0.039 20 0 HBADHO Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001648968074 1071165288 /nfs/dbraw/zinc/16/52/88/1071165288.db2.gz LDKLTSGEOCHNHW-HUUCEWRRSA-N 1 3 401.533 -0.232 20 0 HBADHO