smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)C[NH+]1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000068773106 375169021 /nfs/dbraw/zinc/16/90/21/375169021.db2.gz OHHNGEKUDSQISG-UHFFFAOYSA-N 1 0 348.407 -1.080 20 30 EAEDRO Cn1c(N2CCN(C(=O)C[NH+](C)C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000079076477 374362798 /nfs/dbraw/zinc/36/27/98/374362798.db2.gz DBUYIDVJIIVQFT-UHFFFAOYSA-N 1 0 334.380 -1.834 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000124902743 374367584 /nfs/dbraw/zinc/36/75/84/374367584.db2.gz VIBIIOQDGGBNMY-SNVBAGLBSA-N 1 0 329.430 -1.384 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000124902934 374366568 /nfs/dbraw/zinc/36/65/68/374366568.db2.gz VIBIIOQDGGBNMY-JTQLQIEISA-N 1 0 329.430 -1.384 20 30 EAEDRO CC[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCc2ncnn2C1 ZINC000124958274 374367103 /nfs/dbraw/zinc/36/71/03/374367103.db2.gz JYPBYIPTEFSJKC-SNVBAGLBSA-N 1 0 329.430 -1.303 20 30 EAEDRO CC[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCc2ncnn2C1 ZINC000124958448 374367082 /nfs/dbraw/zinc/36/70/82/374367082.db2.gz JYPBYIPTEFSJKC-JTQLQIEISA-N 1 0 329.430 -1.303 20 30 EAEDRO C#CCN1CCN(C(=O)CN2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000155672417 375072313 /nfs/dbraw/zinc/07/23/13/375072313.db2.gz WPFQZNIGZDMSBG-CYBMUJFWSA-N 1 0 328.438 -1.613 20 30 EAEDRO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818212 374400799 /nfs/dbraw/zinc/40/07/99/374400799.db2.gz LMJOTXJTZTWEIU-CQSZACIVSA-N 1 0 349.439 -1.025 20 30 EAEDRO C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155818300 374401529 /nfs/dbraw/zinc/40/15/29/374401529.db2.gz LMJOTXJTZTWEIU-AWEZNQCLSA-N 1 0 349.439 -1.025 20 30 EAEDRO CN1CCN(C(=O)CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000170912739 669740672 /nfs/dbraw/zinc/74/06/72/669740672.db2.gz VQWIBIKVXPNRRC-UHFFFAOYSA-N 1 0 340.472 -1.223 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261601656 668660910 /nfs/dbraw/zinc/66/09/10/668660910.db2.gz BWBCEIDLZDUCPB-UHFFFAOYSA-N 1 0 333.458 -1.089 20 30 EAEDRO C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000261634697 374366317 /nfs/dbraw/zinc/36/63/17/374366317.db2.gz HSJNDQSUCQQVOK-HNNXBMFYSA-N 1 0 339.440 -1.468 20 30 EAEDRO C[NH+]=C(NCC(=O)NC(C)C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261636682 668677137 /nfs/dbraw/zinc/67/71/37/668677137.db2.gz CYGVAIAYIYJEKZ-UHFFFAOYSA-N 1 0 326.445 -1.032 20 30 EAEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261645072 668679634 /nfs/dbraw/zinc/67/96/34/668679634.db2.gz DPIGSINOJWZUJQ-UHFFFAOYSA-N 1 0 333.458 -1.512 20 30 EAEDRO CNC(=O)CC1CCN(C(NCCNS(C)(=O)=O)=[NH+]C)CC1 ZINC000261697007 668715724 /nfs/dbraw/zinc/71/57/24/668715724.db2.gz FUAJQRIBWXWKGG-UHFFFAOYSA-N 1 0 333.458 -1.041 20 30 EAEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261699259 374611286 /nfs/dbraw/zinc/61/12/86/374611286.db2.gz IZUDQVXZIVHKPD-UHFFFAOYSA-N 1 0 342.425 -1.311 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261712424 668779464 /nfs/dbraw/zinc/77/94/64/668779464.db2.gz KCEWVDXQKWKZQY-CYBMUJFWSA-N 1 0 347.485 -1.235 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261712425 668779499 /nfs/dbraw/zinc/77/94/99/668779499.db2.gz KCEWVDXQKWKZQY-ZDUSSCGKSA-N 1 0 347.485 -1.235 20 30 EAEDRO C[NH+]=C(NCc1nncn1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261753555 668790116 /nfs/dbraw/zinc/79/01/16/668790116.db2.gz NOMXAVZHRFPUGD-UHFFFAOYSA-N 1 0 331.384 -1.027 20 30 EAEDRO C[NH+]=C(NCCN1CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261781414 374611631 /nfs/dbraw/zinc/61/16/31/374611631.db2.gz QCTIEGYEFBPIAO-UHFFFAOYSA-N 1 0 349.439 -1.024 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261785197 668798721 /nfs/dbraw/zinc/79/87/21/668798721.db2.gz PSPNSSNMBIPNAU-HNNXBMFYSA-N 1 0 338.412 -1.040 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261785206 669131920 /nfs/dbraw/zinc/13/19/20/669131920.db2.gz PSPNSSNMBIPNAU-OAHLLOKOSA-N 1 0 338.412 -1.040 20 30 EAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261794545 668801035 /nfs/dbraw/zinc/80/10/35/668801035.db2.gz IJEVQNMXVOIXIP-CYBMUJFWSA-N 1 0 347.485 -1.235 20 30 EAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000261794547 668801059 /nfs/dbraw/zinc/80/10/59/668801059.db2.gz IJEVQNMXVOIXIP-ZDUSSCGKSA-N 1 0 347.485 -1.235 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261803032 374612021 /nfs/dbraw/zinc/61/20/21/374612021.db2.gz RRGQKGYHMVXHFJ-GFCCVEGCSA-N 1 0 344.441 -1.082 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261803034 374611745 /nfs/dbraw/zinc/61/17/45/374611745.db2.gz RRGQKGYHMVXHFJ-LBPRGKRZSA-N 1 0 344.441 -1.082 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261825332 668805915 /nfs/dbraw/zinc/80/59/15/668805915.db2.gz UVABWBYADGLZOH-UHFFFAOYSA-N 1 0 348.473 -2.008 20 30 EAEDRO C[NH+]=C(NCCn1cncn1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261850114 374612160 /nfs/dbraw/zinc/61/21/60/374612160.db2.gz XEXMLEPMSRKSCF-UHFFFAOYSA-N 1 0 331.384 -1.064 20 30 EAEDRO C[NH+]=C(NCC(=O)NC1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261863676 374612690 /nfs/dbraw/zinc/61/26/90/374612690.db2.gz YTNMVQONMDSTEM-UHFFFAOYSA-N 1 0 333.396 -1.077 20 30 EAEDRO C[NH+]=C(NCC(=O)NCCOC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261933634 668340265 /nfs/dbraw/zinc/34/02/65/668340265.db2.gz BWLKTGQJQDBVIY-UHFFFAOYSA-N 1 0 334.442 -1.167 20 30 EAEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261960985 668830834 /nfs/dbraw/zinc/83/08/34/668830834.db2.gz KDURNASFCCMDQK-UHFFFAOYSA-N 1 0 345.425 -1.377 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261967345 668831020 /nfs/dbraw/zinc/83/10/20/668831020.db2.gz LUZIZZYCUZQPGS-UHFFFAOYSA-N 1 0 340.471 -1.380 20 30 EAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000261974613 374611261 /nfs/dbraw/zinc/61/12/61/374611261.db2.gz FHYVOINEKMCOFF-UHFFFAOYSA-N 1 0 341.441 -1.147 20 30 EAEDRO CNC(=O)CNC(=[NH+]C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000262002804 668832171 /nfs/dbraw/zinc/83/21/71/668832171.db2.gz UVCVKIAMBXTUIL-CYBMUJFWSA-N 1 0 338.456 -1.064 20 30 EAEDRO CNC(=O)CNC(=[NH+]C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000262002807 668832230 /nfs/dbraw/zinc/83/22/30/668832230.db2.gz UVCVKIAMBXTUIL-ZDUSSCGKSA-N 1 0 338.456 -1.064 20 30 EAEDRO CS(=O)(=O)NCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262019476 374611732 /nfs/dbraw/zinc/61/17/32/374611732.db2.gz XFDIGMHJVITRIF-UHFFFAOYSA-N 1 0 327.414 -1.538 20 30 EAEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCO[C@@H](COC)C1 ZINC000262023528 668833148 /nfs/dbraw/zinc/83/31/48/668833148.db2.gz WLTWNXPPYZKOCS-GFCCVEGCSA-N 1 0 334.442 -1.056 20 30 EAEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCO[C@H](COC)C1 ZINC000262023532 668833055 /nfs/dbraw/zinc/83/30/55/668833055.db2.gz WLTWNXPPYZKOCS-LBPRGKRZSA-N 1 0 334.442 -1.056 20 30 EAEDRO [NH2+]=C(NCCN1CCNC(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262184670 374612527 /nfs/dbraw/zinc/61/25/27/374612527.db2.gz FYBYBCHZXJTLQS-UHFFFAOYSA-N 1 0 332.412 -1.655 20 30 EAEDRO CN(C)C(=O)CNC(N[C@@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C ZINC000262241524 668918967 /nfs/dbraw/zinc/91/89/67/668918967.db2.gz ABAISPZWTWCGQF-LLVKDONJSA-N 1 0 340.428 -1.681 20 30 EAEDRO CN(C)C(=O)CNC(N[C@H]1CCC(=O)N(C)C1)=[NH+]CC(=O)N(C)C ZINC000262241526 668918372 /nfs/dbraw/zinc/91/83/72/668918372.db2.gz ABAISPZWTWCGQF-NSHDSACASA-N 1 0 340.428 -1.681 20 30 EAEDRO CCN1CCN(/C(NCC(=O)N(C)C)=[NH+]/CC(=O)N(C)C)CC1=O ZINC000262277889 668929172 /nfs/dbraw/zinc/92/91/72/668929172.db2.gz IKNKHNHZQRHHCQ-UHFFFAOYSA-N 1 0 340.428 -1.728 20 30 EAEDRO C[C@H](O)[C@@H]1CCN(/C(NCC(=O)N(C)C)=[NH+]/CC(=O)N(C)C)C1 ZINC000262310054 668450720 /nfs/dbraw/zinc/45/07/20/668450720.db2.gz POUHQGYEIMMMPQ-NWDGAFQWSA-N 1 0 327.429 -1.189 20 30 EAEDRO C[C@H](O)[C@H]1CCN(/C(NCC(=O)N(C)C)=[NH+]/CC(=O)N(C)C)C1 ZINC000262310057 668450729 /nfs/dbraw/zinc/45/07/29/668450729.db2.gz POUHQGYEIMMMPQ-RYUDHWBXSA-N 1 0 327.429 -1.189 20 30 EAEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262316403 374613660 /nfs/dbraw/zinc/61/36/60/374613660.db2.gz QUODHWIANKGANH-UHFFFAOYSA-N 1 0 341.441 -1.195 20 30 EAEDRO CC(=O)N1CCN(/C(NCC(=O)N(C)C)=[NH+]\CC(=O)N(C)C)CC1 ZINC000262328674 669134281 /nfs/dbraw/zinc/13/42/81/669134281.db2.gz UMZJZWVJOLVMRM-UHFFFAOYSA-N 1 0 340.428 -1.728 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)NC1CCN(CC(=O)N(C)C)CC1 ZINC000262339282 668459237 /nfs/dbraw/zinc/45/92/37/668459237.db2.gz WRQWFRGKRHQNDJ-UHFFFAOYSA-N 1 0 326.445 -1.208 20 30 EAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000262351479 374846208 /nfs/dbraw/zinc/84/62/08/374846208.db2.gz JAVFYSJTCGWYOL-GFCCVEGCSA-N 1 0 349.391 -1.531 20 30 EAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000262351481 374847332 /nfs/dbraw/zinc/84/73/32/374847332.db2.gz JAVFYSJTCGWYOL-LBPRGKRZSA-N 1 0 349.391 -1.531 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262355978 668492702 /nfs/dbraw/zinc/49/27/02/668492702.db2.gz ZSTHDHQDULFSJM-UHFFFAOYSA-N 1 0 335.412 -1.434 20 30 EAEDRO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262391989 374613833 /nfs/dbraw/zinc/61/38/33/374613833.db2.gz MJMYZHAKZYGBKR-NEPJUHHUSA-N 1 0 333.396 -1.054 20 30 EAEDRO NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262391992 374614160 /nfs/dbraw/zinc/61/41/60/374614160.db2.gz MJMYZHAKZYGBKR-NWDGAFQWSA-N 1 0 333.396 -1.054 20 30 EAEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262391993 374613634 /nfs/dbraw/zinc/61/36/34/374613634.db2.gz MJMYZHAKZYGBKR-RYUDHWBXSA-N 1 0 333.396 -1.054 20 30 EAEDRO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262391994 374613740 /nfs/dbraw/zinc/61/37/40/374613740.db2.gz MJMYZHAKZYGBKR-VXGBXAGGSA-N 1 0 333.396 -1.054 20 30 EAEDRO C[NH+]=C(NCCN1CCOCC1)NCC1CN(S(C)(=O)=O)C1 ZINC000262441076 668945237 /nfs/dbraw/zinc/94/52/37/668945237.db2.gz AZBHNTZTHZPBRJ-UHFFFAOYSA-N 1 0 333.458 -1.625 20 30 EAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CC[NH2+]CC2)C1=O ZINC000262511418 374577536 /nfs/dbraw/zinc/57/75/36/374577536.db2.gz OBFSOXYMAIPMOR-UHFFFAOYSA-N 1 0 337.380 -1.625 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(C(=O)C(C)C)CC1 ZINC000262528682 668566412 /nfs/dbraw/zinc/56/64/12/668566412.db2.gz HKGAACDLCWMLTN-UHFFFAOYSA-N 1 0 333.458 -1.089 20 30 EAEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)N1CCN(c2ncccn2)CC1 ZINC000262529983 668962217 /nfs/dbraw/zinc/96/22/17/668962217.db2.gz MZYIZGPQFIIIGU-UHFFFAOYSA-N 1 0 332.368 -1.535 20 30 EAEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(c2ncccn2)CC1 ZINC000262574517 374614404 /nfs/dbraw/zinc/61/44/04/374614404.db2.gz NYBGSWHVNSDVIG-UHFFFAOYSA-N 1 0 341.441 -1.277 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN(CC(=O)NC(C)C)CC1 ZINC000262575377 668973997 /nfs/dbraw/zinc/97/39/97/668973997.db2.gz OCQHUMVKFDOQOS-UHFFFAOYSA-N 1 0 326.445 -1.208 20 30 EAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262577528 668974168 /nfs/dbraw/zinc/97/41/68/668974168.db2.gz 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EAEDRO C#CCNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055563390 674197226 /nfs/dbraw/zinc/19/72/26/674197226.db2.gz CRHFDTWXDCBKRM-UHFFFAOYSA-N 1 0 337.380 -2.692 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001055563766 674197665 /nfs/dbraw/zinc/19/76/65/674197665.db2.gz KIMYKIKYZDTMIT-UHFFFAOYSA-N 1 0 338.408 -1.531 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CN2CN=NC2=O)CC1 ZINC001055563919 674197701 /nfs/dbraw/zinc/19/77/01/674197701.db2.gz MMLSAODIUXWLNX-LLVKDONJSA-N 1 0 349.395 -1.160 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CN2CN=NC2=O)CC1 ZINC001055563920 674197559 /nfs/dbraw/zinc/19/75/59/674197559.db2.gz MMLSAODIUXWLNX-NSHDSACASA-N 1 0 349.395 -1.160 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055564010 674197674 /nfs/dbraw/zinc/19/76/74/674197674.db2.gz QXNHQDJEYFQQNE-CYBMUJFWSA-N 1 0 347.419 -1.018 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055564011 674197552 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EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055567873 674197910 /nfs/dbraw/zinc/19/79/10/674197910.db2.gz RTPJMHUPKCRDPY-MRXNPFEDSA-N 1 0 340.424 -1.114 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001055569099 674198148 /nfs/dbraw/zinc/19/81/48/674198148.db2.gz PTXUBDWOHRUODP-CMPLNLGQSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001055569100 674198154 /nfs/dbraw/zinc/19/81/54/674198154.db2.gz PTXUBDWOHRUODP-JQWIXIFHSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001055569101 674198183 /nfs/dbraw/zinc/19/81/83/674198183.db2.gz PTXUBDWOHRUODP-PWSUYJOCSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001055569102 674198114 /nfs/dbraw/zinc/19/81/14/674198114.db2.gz PTXUBDWOHRUODP-ZYHUDNBSSA-N 1 0 337.380 -1.049 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001055573610 674198535 /nfs/dbraw/zinc/19/85/35/674198535.db2.gz DPKWNOMQQRVKKW-UHFFFAOYSA-N 1 0 345.407 -1.217 20 30 EAEDRO NC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055574017 674198422 /nfs/dbraw/zinc/19/84/22/674198422.db2.gz NGTURUYTNYENSI-UHFFFAOYSA-N 1 0 335.408 -1.235 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055575232 674198467 /nfs/dbraw/zinc/19/84/67/674198467.db2.gz OZFBPAQPJGFRFT-AWEZNQCLSA-N 1 0 347.419 -1.222 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055575235 674198501 /nfs/dbraw/zinc/19/85/01/674198501.db2.gz OZFBPAQPJGFRFT-CQSZACIVSA-N 1 0 347.419 -1.222 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCNC(N)=O)CC1 ZINC001055575420 674198526 /nfs/dbraw/zinc/19/85/26/674198526.db2.gz DQAQBKWBZUYCOY-LLVKDONJSA-N 1 0 338.412 -1.099 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCNC(N)=O)CC1 ZINC001055575422 674198320 /nfs/dbraw/zinc/19/83/20/674198320.db2.gz DQAQBKWBZUYCOY-NSHDSACASA-N 1 0 338.412 -1.099 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001055575450 674198479 /nfs/dbraw/zinc/19/84/79/674198479.db2.gz VWYDUXRHWAEZJK-UHFFFAOYSA-N 1 0 345.407 -1.217 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055575624 674198563 /nfs/dbraw/zinc/19/85/63/674198563.db2.gz HGPQJECVIPKOTL-GFCCVEGCSA-N 1 0 338.408 -1.403 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055575625 674198440 /nfs/dbraw/zinc/19/84/40/674198440.db2.gz HGPQJECVIPKOTL-LBPRGKRZSA-N 1 0 338.408 -1.403 20 30 EAEDRO C#CCOCCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055575734 674198549 /nfs/dbraw/zinc/19/85/49/674198549.db2.gz KPGPOVFJGVFZPN-UHFFFAOYSA-N 1 0 338.408 -1.402 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)nn1 ZINC001055578897 674198904 /nfs/dbraw/zinc/19/89/04/674198904.db2.gz ZGQABMMHOSZDFT-UHFFFAOYSA-N 1 0 349.395 -1.740 20 30 EAEDRO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001055580001 674199316 /nfs/dbraw/zinc/19/93/16/674199316.db2.gz QPZZXLAQWLBAEC-UHFFFAOYSA-N 1 0 345.407 -1.217 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001055580107 674199226 /nfs/dbraw/zinc/19/92/26/674199226.db2.gz VHWCYGGCJRHBTR-LLVKDONJSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001055580108 674199236 /nfs/dbraw/zinc/19/92/36/674199236.db2.gz VHWCYGGCJRHBTR-NSHDSACASA-N 1 0 334.384 -1.470 20 30 EAEDRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055589777 674199308 /nfs/dbraw/zinc/19/93/08/674199308.db2.gz QDLXLSCLKGVDGX-LLVKDONJSA-N 1 0 338.412 -1.228 20 30 EAEDRO CNC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055589778 674199336 /nfs/dbraw/zinc/19/93/36/674199336.db2.gz QDLXLSCLKGVDGX-NSHDSACASA-N 1 0 338.412 -1.228 20 30 EAEDRO C=CCCOCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055592358 674199568 /nfs/dbraw/zinc/19/95/68/674199568.db2.gz LGBIHJUJTKYKJI-UHFFFAOYSA-N 1 0 326.397 -1.239 20 30 EAEDRO C=CCO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055594311 674199720 /nfs/dbraw/zinc/19/97/20/674199720.db2.gz SACZZLZDTWNNKV-LLVKDONJSA-N 1 0 326.397 -1.240 20 30 EAEDRO C=CCO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055594312 674199593 /nfs/dbraw/zinc/19/95/93/674199593.db2.gz SACZZLZDTWNNKV-NSHDSACASA-N 1 0 326.397 -1.240 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055595418 674199971 /nfs/dbraw/zinc/19/99/71/674199971.db2.gz VRENKUOHRNAGMF-AWEZNQCLSA-N 1 0 349.435 -1.734 20 30 EAEDRO C#Cc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)nc1 ZINC001055605597 674201294 /nfs/dbraw/zinc/20/12/94/674201294.db2.gz MFDSOGGJUWPAOX-UHFFFAOYSA-N 1 0 343.387 -1.141 20 30 EAEDRO C#Cc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)cn1 ZINC001055605910 674201131 /nfs/dbraw/zinc/20/11/31/674201131.db2.gz ZTNFMKYOKHDMGW-UHFFFAOYSA-N 1 0 343.387 -1.141 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001055607811 674201288 /nfs/dbraw/zinc/20/12/88/674201288.db2.gz FBXISFOTCDQVOG-AAEUAGOBSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001055607812 674201116 /nfs/dbraw/zinc/20/11/16/674201116.db2.gz FBXISFOTCDQVOG-DGCLKSJQSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001055607813 674201261 /nfs/dbraw/zinc/20/12/61/674201261.db2.gz FBXISFOTCDQVOG-WCQYABFASA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001055607814 674201011 /nfs/dbraw/zinc/20/10/11/674201011.db2.gz FBXISFOTCDQVOG-YPMHNXCESA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCn2cnnn2)CC1 ZINC001055624003 674202657 /nfs/dbraw/zinc/20/26/57/674202657.db2.gz UWUXMSSVSQXEAT-GFCCVEGCSA-N 1 0 348.411 -1.080 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCn2cnnn2)CC1 ZINC001055624082 674202570 /nfs/dbraw/zinc/20/25/70/674202570.db2.gz UWUXMSSVSQXEAT-LBPRGKRZSA-N 1 0 348.411 -1.080 20 30 EAEDRO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055625629 674202604 /nfs/dbraw/zinc/20/26/04/674202604.db2.gz HFSFDEBIXPQNLV-AWEZNQCLSA-N 1 0 347.419 -1.222 20 30 EAEDRO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055625630 674202575 /nfs/dbraw/zinc/20/25/75/674202575.db2.gz HFSFDEBIXPQNLV-CQSZACIVSA-N 1 0 347.419 -1.222 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055625790 674202732 /nfs/dbraw/zinc/20/27/32/674202732.db2.gz IWUIRYSLUQFYKK-CMPLNLGQSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055625791 674202721 /nfs/dbraw/zinc/20/27/21/674202721.db2.gz IWUIRYSLUQFYKK-JQWIXIFHSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055625792 674202671 /nfs/dbraw/zinc/20/26/71/674202671.db2.gz IWUIRYSLUQFYKK-PWSUYJOCSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055625793 674202596 /nfs/dbraw/zinc/20/25/96/674202596.db2.gz IWUIRYSLUQFYKK-ZYHUDNBSSA-N 1 0 336.396 -1.476 20 30 EAEDRO C#CCNC(=O)CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630011 674205913 /nfs/dbraw/zinc/20/59/13/674205913.db2.gz QLUPEZAEICJLPW-CYBMUJFWSA-N 1 0 347.419 -1.018 20 30 EAEDRO C#CCNC(=O)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055630012 674205763 /nfs/dbraw/zinc/20/57/63/674205763.db2.gz QLUPEZAEICJLPW-ZDUSSCGKSA-N 1 0 347.419 -1.018 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001055630094 674205850 /nfs/dbraw/zinc/20/58/50/674205850.db2.gz SGOFONXSKSNIFJ-LLVKDONJSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001055630095 674205895 /nfs/dbraw/zinc/20/58/95/674205895.db2.gz SGOFONXSKSNIFJ-NSHDSACASA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001055630155 674205980 /nfs/dbraw/zinc/20/59/80/674205980.db2.gz VFJCMNMHXSZQHY-CMPLNLGQSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001055630156 674205843 /nfs/dbraw/zinc/20/58/43/674205843.db2.gz VFJCMNMHXSZQHY-JQWIXIFHSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001055630157 674205728 /nfs/dbraw/zinc/20/57/28/674205728.db2.gz VFJCMNMHXSZQHY-PWSUYJOCSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001055630158 674206044 /nfs/dbraw/zinc/20/60/44/674206044.db2.gz VFJCMNMHXSZQHY-ZYHUDNBSSA-N 1 0 337.380 -1.049 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001055630201 674206039 /nfs/dbraw/zinc/20/60/39/674206039.db2.gz WPFVFCUFAAHLFA-MNOVXSKESA-N 1 0 338.412 -1.100 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001055630202 674205855 /nfs/dbraw/zinc/20/58/55/674205855.db2.gz WPFVFCUFAAHLFA-QWRGUYRKSA-N 1 0 338.412 -1.100 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001055630308 674205822 /nfs/dbraw/zinc/20/58/22/674205822.db2.gz YZHGUEWBNXQPQN-LLVKDONJSA-N 1 0 349.395 -1.160 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001055630309 674205797 /nfs/dbraw/zinc/20/57/97/674205797.db2.gz YZHGUEWBNXQPQN-NSHDSACASA-N 1 0 349.395 -1.160 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001055630988 674206009 /nfs/dbraw/zinc/20/60/09/674206009.db2.gz BNNCLKVSRZHYIZ-LLVKDONJSA-N 1 0 338.412 -1.099 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001055630989 674205932 /nfs/dbraw/zinc/20/59/32/674205932.db2.gz BNNCLKVSRZHYIZ-NSHDSACASA-N 1 0 338.412 -1.099 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001055631537 674205905 /nfs/dbraw/zinc/20/59/05/674205905.db2.gz HSNNZCIUJQJHMA-LLVKDONJSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001055631538 674206034 /nfs/dbraw/zinc/20/60/34/674206034.db2.gz HSNNZCIUJQJHMA-NSHDSACASA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001055631546 674205810 /nfs/dbraw/zinc/20/58/10/674205810.db2.gz HZABQFDZGSNOOW-AAEUAGOBSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001055631547 674206050 /nfs/dbraw/zinc/20/60/50/674206050.db2.gz HZABQFDZGSNOOW-DGCLKSJQSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001055631548 674206029 /nfs/dbraw/zinc/20/60/29/674206029.db2.gz HZABQFDZGSNOOW-WCQYABFASA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001055631549 674205989 /nfs/dbraw/zinc/20/59/89/674205989.db2.gz HZABQFDZGSNOOW-YPMHNXCESA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631671 674206063 /nfs/dbraw/zinc/20/60/63/674206063.db2.gz JTIGVRFDZZIQSF-LLVKDONJSA-N 1 0 338.412 -1.228 20 30 EAEDRO CNC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631674 674205928 /nfs/dbraw/zinc/20/59/28/674205928.db2.gz JTIGVRFDZZIQSF-NSHDSACASA-N 1 0 338.412 -1.228 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055632151 674205777 /nfs/dbraw/zinc/20/57/77/674205777.db2.gz PLYBYOJCXQWDIZ-RTXFEEFZSA-N 1 0 335.408 -1.036 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055632152 674205882 /nfs/dbraw/zinc/20/58/82/674205882.db2.gz PLYBYOJCXQWDIZ-UHTWSYAYSA-N 1 0 335.408 -1.036 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055632404 674205922 /nfs/dbraw/zinc/20/59/22/674205922.db2.gz ULYFQZAJZXZYTH-CMPLNLGQSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055632406 674205781 /nfs/dbraw/zinc/20/57/81/674205781.db2.gz ULYFQZAJZXZYTH-JQWIXIFHSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001055632407 674205964 /nfs/dbraw/zinc/20/59/64/674205964.db2.gz ULYFQZAJZXZYTH-PWSUYJOCSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001055632408 674205860 /nfs/dbraw/zinc/20/58/60/674205860.db2.gz ULYFQZAJZXZYTH-ZYHUDNBSSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001055632517 674206481 /nfs/dbraw/zinc/20/64/81/674206481.db2.gz WWIXIJUXDLEHSL-GFCCVEGCSA-N 1 0 348.411 -1.080 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001055632518 674206335 /nfs/dbraw/zinc/20/63/35/674206335.db2.gz WWIXIJUXDLEHSL-LBPRGKRZSA-N 1 0 348.411 -1.080 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)c1 ZINC001055641351 674206363 /nfs/dbraw/zinc/20/63/63/674206363.db2.gz VNKXOZBEOMMOHN-UHFFFAOYSA-N 1 0 343.387 -1.141 20 30 EAEDRO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055644858 674206710 /nfs/dbraw/zinc/20/67/10/674206710.db2.gz HACAFKKCNZHRSZ-RTXFEEFZSA-N 1 0 335.408 -1.036 20 30 EAEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001055644859 674206726 /nfs/dbraw/zinc/20/67/26/674206726.db2.gz HACAFKKCNZHRSZ-UHTWSYAYSA-N 1 0 335.408 -1.036 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055646847 674206763 /nfs/dbraw/zinc/20/67/63/674206763.db2.gz HGNQHQRAJPSYID-OLZOCXBDSA-N 1 0 338.408 -1.240 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCCN(CCO)C(=O)COC)CC1 ZINC001056791013 672431091 /nfs/dbraw/zinc/43/10/91/672431091.db2.gz IPHNTJVYMNEHNZ-UHFFFAOYSA-N 1 0 325.409 -1.085 20 30 EAEDRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)CSCC#N ZINC001057027091 672509206 /nfs/dbraw/zinc/50/92/06/672509206.db2.gz YMAXJJXTWGKYQI-UHFFFAOYSA-N 1 0 346.453 -1.242 20 30 EAEDRO C=CCOCC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057193331 672579179 /nfs/dbraw/zinc/57/91/79/672579179.db2.gz DLQIUSKTSIMPEY-UHFFFAOYSA-N 1 0 331.413 -1.296 20 30 EAEDRO C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212221 672590940 /nfs/dbraw/zinc/59/09/40/672590940.db2.gz 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1 0 347.419 -1.224 20 30 EAEDRO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001070377061 671917812 /nfs/dbraw/zinc/91/78/12/671917812.db2.gz CECUSYAUXMJIHJ-NFAWXSAZSA-N 1 0 347.419 -1.224 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070485162 671924525 /nfs/dbraw/zinc/92/45/25/671924525.db2.gz RVVWCFOIXCTENH-WCQYABFASA-N 1 0 329.364 -1.065 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070496635 671925494 /nfs/dbraw/zinc/92/54/94/671925494.db2.gz RGRKBIITKSMHJH-GXTWGEPZSA-N 1 0 336.417 -1.018 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1c1cn(C)cn1 ZINC001070500675 671925368 /nfs/dbraw/zinc/92/53/68/671925368.db2.gz BMKPOZADBPWINQ-DZGCQCFKSA-N 1 0 345.403 -1.204 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070502326 671926071 /nfs/dbraw/zinc/92/60/71/671926071.db2.gz KHHZJAUHRGRXRH-GMXVVIOVSA-N 1 0 344.375 -1.465 20 30 EAEDRO 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CFSXKNPJBLUONP-GHMZBOCLSA-N 1 0 338.364 -1.466 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2O)nn1 ZINC001077801139 685641438 /nfs/dbraw/zinc/64/14/38/685641438.db2.gz FAYFAIHFZRLVMS-DGCLKSJQSA-N 1 0 349.395 -1.736 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801293 685641522 /nfs/dbraw/zinc/64/15/22/685641522.db2.gz KWGGWAXKSYDWQS-DMDPSCGWSA-N 1 0 336.396 -1.284 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801294 685641490 /nfs/dbraw/zinc/64/14/90/685641490.db2.gz KWGGWAXKSYDWQS-NQBHXWOUSA-N 1 0 336.396 -1.284 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801371 685641323 /nfs/dbraw/zinc/64/13/23/685641323.db2.gz OUUAWWGGKYNMIX-KWCYVHTRSA-N 1 0 348.407 -1.140 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801372 685641249 /nfs/dbraw/zinc/64/12/49/685641249.db2.gz OUUAWWGGKYNMIX-MRVWCRGKSA-N 1 0 348.407 -1.140 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)nn1 ZINC001077801396 685641411 /nfs/dbraw/zinc/64/14/11/685641411.db2.gz PWZMHOVHWSOZFQ-DGCLKSJQSA-N 1 0 332.368 -1.469 20 30 EAEDRO C=CCn1cc(C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)nn1 ZINC001077801482 685641295 /nfs/dbraw/zinc/64/12/95/685641295.db2.gz TZKVOZSUECUNDC-TZMCWYRMSA-N 1 0 348.407 -1.139 20 30 EAEDRO C=CCCn1cc(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)nn1 ZINC001077814067 685643828 /nfs/dbraw/zinc/64/38/28/685643828.db2.gz RECZEUIKQQNSHI-TZMCWYRMSA-N 1 0 346.395 -1.079 20 30 EAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077817074 685644858 /nfs/dbraw/zinc/64/48/58/685644858.db2.gz MDRNLEXQKZPXHH-CHWSQXEVSA-N 1 0 334.380 -1.637 20 30 EAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077817183 685644827 /nfs/dbraw/zinc/64/48/27/685644827.db2.gz ROZAPAMSUPGKLQ-CHWSQXEVSA-N 1 0 336.396 -1.084 20 30 EAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001077960174 685667719 /nfs/dbraw/zinc/66/77/19/685667719.db2.gz JTLFOYTZTIKGLR-CHWSQXEVSA-N 1 0 333.392 -1.434 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)CC1 ZINC001078226974 685714910 /nfs/dbraw/zinc/71/49/10/685714910.db2.gz CHCCNTYZRPOXCP-HZPDHXFCSA-N 1 0 346.435 -1.215 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227002 685714742 /nfs/dbraw/zinc/71/47/42/685714742.db2.gz DTPDWRLOHXZIIW-BZUAXINKSA-N 1 0 348.447 -1.276 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@H]2O)CC1 ZINC001078227003 685714670 /nfs/dbraw/zinc/71/46/70/685714670.db2.gz DTPDWRLOHXZIIW-OWCLPIDISA-N 1 0 348.447 -1.276 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227057 685714923 /nfs/dbraw/zinc/71/49/23/685714923.db2.gz HFGPIOKTJZHCKQ-BZUAXINKSA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001078227058 685714716 /nfs/dbraw/zinc/71/47/16/685714716.db2.gz HFGPIOKTJZHCKQ-OWCLPIDISA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)CC1 ZINC001078227069 685714476 /nfs/dbraw/zinc/71/44/76/685714476.db2.gz HOKKDEZJPKYRMT-HZPDHXFCSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC1 ZINC001078227295 685714384 /nfs/dbraw/zinc/71/43/84/685714384.db2.gz TXAKFDLFLUWSRN-HUUCEWRRSA-N 1 0 336.436 -1.419 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227296 685714818 /nfs/dbraw/zinc/71/48/18/685714818.db2.gz TXTUTXYGOCOXIF-BPLDGKMQSA-N 1 0 336.436 -1.373 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@H]2O)CC1 ZINC001078227297 685715006 /nfs/dbraw/zinc/71/50/06/685715006.db2.gz TXTUTXYGOCOXIF-NWANDNLSSA-N 1 0 336.436 -1.373 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)CC1 ZINC001078227315 685715030 /nfs/dbraw/zinc/71/50/30/685715030.db2.gz URSQJZRUEUCSML-HZPDHXFCSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227332 685714311 /nfs/dbraw/zinc/71/43/11/685714311.db2.gz VKQUUFZNRFNNCO-QLFBSQMISA-N 1 0 336.436 -1.243 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)CC1 ZINC001078227333 685714696 /nfs/dbraw/zinc/71/46/96/685714696.db2.gz VKQUUFZNRFNNCO-RBSFLKMASA-N 1 0 336.436 -1.243 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CC1 ZINC001078228094 685714336 /nfs/dbraw/zinc/71/43/36/685714336.db2.gz COGPHNRWBBZZIQ-ZIAGYGMSSA-N 1 0 347.423 -1.783 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)CC1 ZINC001078228141 685714772 /nfs/dbraw/zinc/71/47/72/685714772.db2.gz FGFYNZHVJQYHBU-HUUCEWRRSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)CC1 ZINC001078228181 685715083 /nfs/dbraw/zinc/71/50/83/685715083.db2.gz GSPXLPXGRHFCBM-HZPDHXFCSA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228253 685714941 /nfs/dbraw/zinc/71/49/41/685714941.db2.gz JMNFTDRIGQTYGS-QLFBSQMISA-N 1 0 334.420 -1.619 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001078228254 685714955 /nfs/dbraw/zinc/71/49/55/685714955.db2.gz JMNFTDRIGQTYGS-RBSFLKMASA-N 1 0 334.420 -1.619 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)CC1 ZINC001078228282 685715042 /nfs/dbraw/zinc/71/50/42/685715042.db2.gz KNCVBLJABKEAQC-HUUCEWRRSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001078228305 685714605 /nfs/dbraw/zinc/71/46/05/685714605.db2.gz LMTITQXZRDHQMF-HZPDHXFCSA-N 1 0 348.447 -1.275 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)CC1 ZINC001078228332 685714857 /nfs/dbraw/zinc/71/48/57/685714857.db2.gz MQOCCUJSPBWZBG-HZPDHXFCSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CC1 ZINC001078228626 685714840 /nfs/dbraw/zinc/71/48/40/685714840.db2.gz YFSWITAUWOOTCH-ZIAGYGMSSA-N 1 0 347.423 -1.783 20 30 EAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230895 685715479 /nfs/dbraw/zinc/71/54/79/685715479.db2.gz XPTODJOZJFFERU-DGCLKSJQSA-N 1 0 336.396 -1.283 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362282 685729655 /nfs/dbraw/zinc/72/96/55/685729655.db2.gz SQPNUDYCXRMMIC-CHWSQXEVSA-N 1 0 338.408 -1.144 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362283 685729527 /nfs/dbraw/zinc/72/95/27/685729527.db2.gz SQPNUDYCXRMMIC-OLZOCXBDSA-N 1 0 338.408 -1.144 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362284 685729470 /nfs/dbraw/zinc/72/94/70/685729470.db2.gz SQPNUDYCXRMMIC-QWHCGFSZSA-N 1 0 338.408 -1.144 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)C1=O ZINC001078362285 685729137 /nfs/dbraw/zinc/72/91/37/685729137.db2.gz SQPNUDYCXRMMIC-STQMWFEESA-N 1 0 338.408 -1.144 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163446 685806816 /nfs/dbraw/zinc/80/68/16/685806816.db2.gz CUZMNFPIUOWSTM-CHWSQXEVSA-N 1 0 333.392 -1.436 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163447 685806640 /nfs/dbraw/zinc/80/66/40/685806640.db2.gz CUZMNFPIUOWSTM-OLZOCXBDSA-N 1 0 333.392 -1.436 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163448 685806581 /nfs/dbraw/zinc/80/65/81/685806581.db2.gz CUZMNFPIUOWSTM-QWHCGFSZSA-N 1 0 333.392 -1.436 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163449 685806607 /nfs/dbraw/zinc/80/66/07/685806607.db2.gz CUZMNFPIUOWSTM-STQMWFEESA-N 1 0 333.392 -1.436 20 30 EAEDRO C#CCC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163630 685806689 /nfs/dbraw/zinc/80/66/89/685806689.db2.gz IIQMOSMWDJVZAT-KBPBESRZSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CCC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163631 685806426 /nfs/dbraw/zinc/80/64/26/685806426.db2.gz IIQMOSMWDJVZAT-KGLIPLIRSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CCC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163632 685806637 /nfs/dbraw/zinc/80/66/37/685806637.db2.gz IIQMOSMWDJVZAT-UONOGXRCSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CCC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163633 685806618 /nfs/dbraw/zinc/80/66/18/685806618.db2.gz IIQMOSMWDJVZAT-ZIAGYGMSSA-N 1 0 347.419 -1.046 20 30 EAEDRO CC#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163769 685806456 /nfs/dbraw/zinc/80/64/56/685806456.db2.gz LQVQXMYZUFKLRR-KBPBESRZSA-N 1 0 347.419 -1.046 20 30 EAEDRO CC#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)CC1 ZINC001079163770 685806715 /nfs/dbraw/zinc/80/67/15/685806715.db2.gz LQVQXMYZUFKLRR-KGLIPLIRSA-N 1 0 347.419 -1.046 20 30 EAEDRO CC#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163771 685806610 /nfs/dbraw/zinc/80/66/10/685806610.db2.gz LQVQXMYZUFKLRR-UONOGXRCSA-N 1 0 347.419 -1.046 20 30 EAEDRO CC#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)CC1 ZINC001079163772 685806306 /nfs/dbraw/zinc/80/63/06/685806306.db2.gz LQVQXMYZUFKLRR-ZIAGYGMSSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)CC1 ZINC001079164328 685806603 /nfs/dbraw/zinc/80/66/03/685806603.db2.gz YZXMYWBBTKQYRA-KBPBESRZSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)CC1 ZINC001079164329 685806517 /nfs/dbraw/zinc/80/65/17/685806517.db2.gz YZXMYWBBTKQYRA-KGLIPLIRSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)CC1 ZINC001079164330 685806806 /nfs/dbraw/zinc/80/68/06/685806806.db2.gz YZXMYWBBTKQYRA-UONOGXRCSA-N 1 0 347.419 -1.046 20 30 EAEDRO C#CC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)CC1 ZINC001079164331 685806466 /nfs/dbraw/zinc/80/64/66/685806466.db2.gz YZXMYWBBTKQYRA-ZIAGYGMSSA-N 1 0 347.419 -1.046 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001079395566 685817471 /nfs/dbraw/zinc/81/74/71/685817471.db2.gz MMLKSQCSKVRREE-JHJVBQTASA-N 1 0 333.396 -1.104 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001079395567 685817322 /nfs/dbraw/zinc/81/73/22/685817322.db2.gz MMLKSQCSKVRREE-UPJWGTAASA-N 1 0 333.396 -1.104 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001079704057 685831570 /nfs/dbraw/zinc/83/15/70/685831570.db2.gz GXBMFDNPWVRQMZ-JHJVBQTASA-N 1 0 333.396 -1.104 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001079704058 685831939 /nfs/dbraw/zinc/83/19/39/685831939.db2.gz GXBMFDNPWVRQMZ-UPJWGTAASA-N 1 0 333.396 -1.104 20 30 EAEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001080182159 685856695 /nfs/dbraw/zinc/85/66/95/685856695.db2.gz WNLQNNJCXVBGIY-UTUOFQBUSA-N 1 0 329.422 -1.088 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)CC1 ZINC001081167581 685920683 /nfs/dbraw/zinc/92/06/83/685920683.db2.gz XBCZZMHNYSKDBB-CABCVRRESA-N 1 0 337.420 -1.087 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](O)[C@@H](CNC(=O)COC)C2)CC1 ZINC001081167582 685920675 /nfs/dbraw/zinc/92/06/75/685920675.db2.gz XBCZZMHNYSKDBB-GJZGRUSLSA-N 1 0 337.420 -1.087 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNC(=O)COC)[C@H](O)C2)CC1 ZINC001081167583 685920599 /nfs/dbraw/zinc/92/05/99/685920599.db2.gz XBCZZMHNYSKDBB-HUUCEWRRSA-N 1 0 337.420 -1.087 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)CC1 ZINC001081167584 685920670 /nfs/dbraw/zinc/92/06/70/685920670.db2.gz XBCZZMHNYSKDBB-LSDHHAIUSA-N 1 0 337.420 -1.087 20 30 EAEDRO C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081345164 685964599 /nfs/dbraw/zinc/96/45/99/685964599.db2.gz ZAOUYJBUEHJDIV-KBPBESRZSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001081345165 685964448 /nfs/dbraw/zinc/96/44/48/685964448.db2.gz ZAOUYJBUEHJDIV-KGLIPLIRSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081345166 685964576 /nfs/dbraw/zinc/96/45/76/685964576.db2.gz ZAOUYJBUEHJDIV-UONOGXRCSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001081345167 685964564 /nfs/dbraw/zinc/96/45/64/685964564.db2.gz ZAOUYJBUEHJDIV-ZIAGYGMSSA-N 1 0 343.424 -1.297 20 30 EAEDRO C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081425365 685987544 /nfs/dbraw/zinc/98/75/44/685987544.db2.gz QQOHAALDNDGUCN-CHWSQXEVSA-N 1 0 338.408 -1.987 20 30 EAEDRO C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081425366 685987586 /nfs/dbraw/zinc/98/75/86/685987586.db2.gz QQOHAALDNDGUCN-OLZOCXBDSA-N 1 0 338.408 -1.987 20 30 EAEDRO C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081425367 685987556 /nfs/dbraw/zinc/98/75/56/685987556.db2.gz QQOHAALDNDGUCN-QWHCGFSZSA-N 1 0 338.408 -1.987 20 30 EAEDRO C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081425368 685987657 /nfs/dbraw/zinc/98/76/57/685987657.db2.gz QQOHAALDNDGUCN-STQMWFEESA-N 1 0 338.408 -1.987 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 ZINC001081471848 686002100 /nfs/dbraw/zinc/00/21/00/686002100.db2.gz SRRVYTNZQPFQPR-CABCVRRESA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001081471849 686002131 /nfs/dbraw/zinc/00/21/31/686002131.db2.gz SRRVYTNZQPFQPR-GJZGRUSLSA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1C[C@@H](CNC(=O)C#CC2CC2)[C@H](O)C1 ZINC001081471850 686002044 /nfs/dbraw/zinc/00/20/44/686002044.db2.gz SRRVYTNZQPFQPR-HUUCEWRRSA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001081471851 686002232 /nfs/dbraw/zinc/00/22/32/686002232.db2.gz SRRVYTNZQPFQPR-LSDHHAIUSA-N 1 0 337.420 -1.087 20 30 EAEDRO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081489577 686059087 /nfs/dbraw/zinc/05/90/87/686059087.db2.gz WQHXSKFBNJNTKQ-KBPBESRZSA-N 1 0 325.409 -1.087 20 30 EAEDRO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081489578 686059444 /nfs/dbraw/zinc/05/94/44/686059444.db2.gz WQHXSKFBNJNTKQ-KGLIPLIRSA-N 1 0 325.409 -1.087 20 30 EAEDRO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081489579 686059471 /nfs/dbraw/zinc/05/94/71/686059471.db2.gz WQHXSKFBNJNTKQ-UONOGXRCSA-N 1 0 325.409 -1.087 20 30 EAEDRO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081489580 686059222 /nfs/dbraw/zinc/05/92/22/686059222.db2.gz WQHXSKFBNJNTKQ-ZIAGYGMSSA-N 1 0 325.409 -1.087 20 30 EAEDRO C=CCOCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618519 686097165 /nfs/dbraw/zinc/09/71/65/686097165.db2.gz RYCWGNWIMIJIGS-KBPBESRZSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618520 686097347 /nfs/dbraw/zinc/09/73/47/686097347.db2.gz RYCWGNWIMIJIGS-KGLIPLIRSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001081618521 686097173 /nfs/dbraw/zinc/09/71/73/686097173.db2.gz RYCWGNWIMIJIGS-UONOGXRCSA-N 1 0 343.424 -1.297 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001081618522 686097225 /nfs/dbraw/zinc/09/72/25/686097225.db2.gz RYCWGNWIMIJIGS-ZIAGYGMSSA-N 1 0 343.424 -1.297 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001081619350 686098171 /nfs/dbraw/zinc/09/81/71/686098171.db2.gz YWUUKFUSJINAOV-CABCVRRESA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001081619352 686098175 /nfs/dbraw/zinc/09/81/75/686098175.db2.gz YWUUKFUSJINAOV-GJZGRUSLSA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001081619354 686098109 /nfs/dbraw/zinc/09/81/09/686098109.db2.gz YWUUKFUSJINAOV-HUUCEWRRSA-N 1 0 337.420 -1.087 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 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685801283 /nfs/dbraw/zinc/80/12/83/685801283.db2.gz JTLFOYTZTIKGLR-OLZOCXBDSA-N 1 0 333.392 -1.434 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CC1 ZINC001084089323 686332114 /nfs/dbraw/zinc/33/21/14/686332114.db2.gz COGPHNRWBBZZIQ-KGLIPLIRSA-N 1 0 347.423 -1.783 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)CC1 ZINC001084089344 686332029 /nfs/dbraw/zinc/33/20/29/686332029.db2.gz FGFYNZHVJQYHBU-CABCVRRESA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)CC1 ZINC001084089403 686333092 /nfs/dbraw/zinc/33/30/92/686333092.db2.gz HOKKDEZJPKYRMT-CVEARBPZSA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)CC1 ZINC001084089461 686332565 /nfs/dbraw/zinc/33/25/65/686332565.db2.gz KNCVBLJABKEAQC-CABCVRRESA-N 1 0 346.435 -1.178 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001084089479 686333034 /nfs/dbraw/zinc/33/30/34/686333034.db2.gz 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C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001084090024 686333286 /nfs/dbraw/zinc/33/32/86/686333286.db2.gz GSPXLPXGRHFCBM-CVEARBPZSA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090034 686333489 /nfs/dbraw/zinc/33/34/89/686333489.db2.gz HFGPIOKTJZHCKQ-OAGGEKHMSA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001084090035 686333385 /nfs/dbraw/zinc/33/33/85/686333385.db2.gz HFGPIOKTJZHCKQ-PMPSAXMXSA-N 1 0 348.447 -1.229 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090093 686332913 /nfs/dbraw/zinc/33/29/13/686332913.db2.gz JMNFTDRIGQTYGS-ILXRZTDVSA-N 1 0 334.420 -1.619 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001084090094 686333519 /nfs/dbraw/zinc/33/35/19/686333519.db2.gz JMNFTDRIGQTYGS-KFWWJZLASA-N 1 0 334.420 -1.619 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC1 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786292322 /nfs/dbraw/zinc/29/23/22/786292322.db2.gz ZMRZKJBUPDLTMV-STQMWFEESA-N 1 0 329.422 -1.403 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1O ZINC001090406594 786453436 /nfs/dbraw/zinc/45/34/36/786453436.db2.gz FKOAAJILLIFQDW-CHWSQXEVSA-N 1 0 331.376 -1.101 20 30 EAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431779 786625320 /nfs/dbraw/zinc/62/53/20/786625320.db2.gz CSDJFGCRPGIOAS-KBPBESRZSA-N 1 0 343.449 -1.013 20 30 EAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431780 786624763 /nfs/dbraw/zinc/62/47/63/786624763.db2.gz CSDJFGCRPGIOAS-KGLIPLIRSA-N 1 0 343.449 -1.013 20 30 EAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431781 786624863 /nfs/dbraw/zinc/62/48/63/786624863.db2.gz CSDJFGCRPGIOAS-UONOGXRCSA-N 1 0 343.449 -1.013 20 30 EAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431782 786625585 /nfs/dbraw/zinc/62/55/85/786625585.db2.gz CSDJFGCRPGIOAS-ZIAGYGMSSA-N 1 0 343.449 -1.013 20 30 EAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090433324 786626310 /nfs/dbraw/zinc/62/63/10/786626310.db2.gz PXYRMDDSUHTRMD-KBPBESRZSA-N 1 0 343.449 -1.013 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090433325 786625015 /nfs/dbraw/zinc/62/50/15/786625015.db2.gz PXYRMDDSUHTRMD-KGLIPLIRSA-N 1 0 343.449 -1.013 20 30 EAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090433326 786624966 /nfs/dbraw/zinc/62/49/66/786624966.db2.gz PXYRMDDSUHTRMD-UONOGXRCSA-N 1 0 343.449 -1.013 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090433327 786624837 /nfs/dbraw/zinc/62/48/37/786624837.db2.gz PXYRMDDSUHTRMD-ZIAGYGMSSA-N 1 0 343.449 -1.013 20 30 EAEDRO C#CCN1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](O)C1 ZINC001090450228 786735947 /nfs/dbraw/zinc/73/59/47/786735947.db2.gz UWKZYSMIKLDHPS-GXTWGEPZSA-N 1 0 327.348 -1.145 20 30 EAEDRO C#CCN1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 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ZINC001099941619 792260495 /nfs/dbraw/zinc/26/04/95/792260495.db2.gz DWYISAJELJBUME-KBPBESRZSA-N 1 0 340.424 -1.828 20 30 EAEDRO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099941620 792260383 /nfs/dbraw/zinc/26/03/83/792260383.db2.gz DWYISAJELJBUME-KGLIPLIRSA-N 1 0 340.424 -1.828 20 30 EAEDRO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941621 792260330 /nfs/dbraw/zinc/26/03/30/792260330.db2.gz DWYISAJELJBUME-UONOGXRCSA-N 1 0 340.424 -1.828 20 30 EAEDRO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941622 792259756 /nfs/dbraw/zinc/25/97/56/792259756.db2.gz DWYISAJELJBUME-ZIAGYGMSSA-N 1 0 340.424 -1.828 20 30 EAEDRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O ZINC001099969856 792271293 /nfs/dbraw/zinc/27/12/93/792271293.db2.gz NJZFNYQUVWDNGJ-CHWSQXEVSA-N 1 0 325.413 -1.481 20 30 EAEDRO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O ZINC001099969857 792270896 /nfs/dbraw/zinc/27/08/96/792270896.db2.gz NJZFNYQUVWDNGJ-OLZOCXBDSA-N 1 0 325.413 -1.481 20 30 EAEDRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O ZINC001099969858 792271244 /nfs/dbraw/zinc/27/12/44/792271244.db2.gz NJZFNYQUVWDNGJ-QWHCGFSZSA-N 1 0 325.413 -1.481 20 30 EAEDRO C[NH+](C)CCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O ZINC001099969859 792271480 /nfs/dbraw/zinc/27/14/80/792271480.db2.gz NJZFNYQUVWDNGJ-STQMWFEESA-N 1 0 325.413 -1.481 20 30 EAEDRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972003 792270655 /nfs/dbraw/zinc/27/06/55/792270655.db2.gz PMGHDIKWBCOGSN-CHWSQXEVSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972004 792272244 /nfs/dbraw/zinc/27/22/44/792272244.db2.gz PMGHDIKWBCOGSN-OLZOCXBDSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099972005 792270686 /nfs/dbraw/zinc/27/06/86/792270686.db2.gz PMGHDIKWBCOGSN-QWHCGFSZSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099972006 792271558 /nfs/dbraw/zinc/27/15/58/792271558.db2.gz PMGHDIKWBCOGSN-STQMWFEESA-N 1 0 337.424 -1.481 20 30 EAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972527 792273036 /nfs/dbraw/zinc/27/30/36/792273036.db2.gz YGNPJCNIYGYCSQ-KBPBESRZSA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972528 792272998 /nfs/dbraw/zinc/27/29/98/792272998.db2.gz YGNPJCNIYGYCSQ-KGLIPLIRSA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972529 792273195 /nfs/dbraw/zinc/27/31/95/792273195.db2.gz YGNPJCNIYGYCSQ-UONOGXRCSA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972530 792274550 /nfs/dbraw/zinc/27/45/50/792274550.db2.gz YGNPJCNIYGYCSQ-ZIAGYGMSSA-N 1 0 336.436 -1.371 20 30 EAEDRO C[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978830 792276371 /nfs/dbraw/zinc/27/63/71/792276371.db2.gz MBJBRRWAJFTVNP-KBPBESRZSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099978831 792276540 /nfs/dbraw/zinc/27/65/40/792276540.db2.gz MBJBRRWAJFTVNP-KGLIPLIRSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978832 792276802 /nfs/dbraw/zinc/27/68/02/792276802.db2.gz MBJBRRWAJFTVNP-UONOGXRCSA-N 1 0 337.424 -1.481 20 30 EAEDRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099978833 792277270 /nfs/dbraw/zinc/27/72/70/792277270.db2.gz MBJBRRWAJFTVNP-ZIAGYGMSSA-N 1 0 337.424 -1.481 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979202 792277034 /nfs/dbraw/zinc/27/70/34/792277034.db2.gz QWKUVFJOCDRKGU-CABCVRRESA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979203 792276301 /nfs/dbraw/zinc/27/63/01/792276301.db2.gz QWKUVFJOCDRKGU-GJZGRUSLSA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979204 792276852 /nfs/dbraw/zinc/27/68/52/792276852.db2.gz QWKUVFJOCDRKGU-HUUCEWRRSA-N 1 0 336.436 -1.371 20 30 EAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979205 792275319 /nfs/dbraw/zinc/27/53/19/792275319.db2.gz QWKUVFJOCDRKGU-LSDHHAIUSA-N 1 0 336.436 -1.371 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980301 786436621 /nfs/dbraw/zinc/43/66/21/786436621.db2.gz FSRCPVXLYSCFKY-CHWSQXEVSA-N 1 0 349.453 -1.191 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980302 786436404 /nfs/dbraw/zinc/43/64/04/786436404.db2.gz FSRCPVXLYSCFKY-OLZOCXBDSA-N 1 0 349.453 -1.191 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980303 786436760 /nfs/dbraw/zinc/43/67/60/786436760.db2.gz FSRCPVXLYSCFKY-QWHCGFSZSA-N 1 0 349.453 -1.191 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980304 786436938 /nfs/dbraw/zinc/43/69/38/786436938.db2.gz FSRCPVXLYSCFKY-STQMWFEESA-N 1 0 349.453 -1.191 20 30 EAEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019065 792292965 /nfs/dbraw/zinc/29/29/65/792292965.db2.gz AWARSQIUBXOHRJ-NEPJUHHUSA-N 1 0 334.442 -1.490 20 30 EAEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019066 792293718 /nfs/dbraw/zinc/29/37/18/792293718.db2.gz AWARSQIUBXOHRJ-NWDGAFQWSA-N 1 0 334.442 -1.490 20 30 EAEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019067 792292380 /nfs/dbraw/zinc/29/23/80/792292380.db2.gz AWARSQIUBXOHRJ-RYUDHWBXSA-N 1 0 334.442 -1.490 20 30 EAEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019068 792293555 /nfs/dbraw/zinc/29/35/55/792293555.db2.gz AWARSQIUBXOHRJ-VXGBXAGGSA-N 1 0 334.442 -1.490 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019097 792293050 /nfs/dbraw/zinc/29/30/50/792293050.db2.gz 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C=CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019123 792293788 /nfs/dbraw/zinc/29/37/88/792293788.db2.gz BITZHCMHKKRRDS-RYUDHWBXSA-N 1 0 334.442 -1.490 20 30 EAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019125 792292693 /nfs/dbraw/zinc/29/26/93/792292693.db2.gz BITZHCMHKKRRDS-VXGBXAGGSA-N 1 0 334.442 -1.490 20 30 EAEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019557 792294037 /nfs/dbraw/zinc/29/40/37/792294037.db2.gz GAZABLXIQCJHIF-CHWSQXEVSA-N 1 0 348.469 -1.100 20 30 EAEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019558 792293689 /nfs/dbraw/zinc/29/36/89/792293689.db2.gz GAZABLXIQCJHIF-OLZOCXBDSA-N 1 0 348.469 -1.100 20 30 EAEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019559 792293802 /nfs/dbraw/zinc/29/38/02/792293802.db2.gz GAZABLXIQCJHIF-QWHCGFSZSA-N 1 0 348.469 -1.100 20 30 EAEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 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C=CCOCC[N@H+]1C[C@@H](CNC(=O)CNS(=O)(=O)NC)[C@H](C)C1 ZINC001102189663 792532164 /nfs/dbraw/zinc/53/21/64/792532164.db2.gz FOANUAGOKZBNJK-CHWSQXEVSA-N 1 0 348.469 -1.073 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215071 792532787 /nfs/dbraw/zinc/53/27/87/792532787.db2.gz JLMHQCWVNSOCDC-ZIAGYGMSSA-N 1 0 349.435 -2.148 20 30 EAEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215200 792532047 /nfs/dbraw/zinc/53/20/47/792532047.db2.gz KTGLAYBCOJXSKI-HUUCEWRRSA-N 1 0 336.436 -1.248 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001102222920 792532954 /nfs/dbraw/zinc/53/29/54/792532954.db2.gz KTQPAXGMCAZJTC-JHJVBQTASA-N 1 0 335.408 -1.557 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001102222921 792531129 /nfs/dbraw/zinc/53/11/29/792531129.db2.gz KTQPAXGMCAZJTC-UPJWGTAASA-N 1 0 335.408 -1.557 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001102223186 792533334 /nfs/dbraw/zinc/53/33/34/792533334.db2.gz UIXTZFJGGTUYBP-IJLUTSLNSA-N 1 0 336.396 -1.666 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001102223187 792533787 /nfs/dbraw/zinc/53/37/87/792533787.db2.gz UIXTZFJGGTUYBP-UTUOFQBUSA-N 1 0 336.396 -1.666 20 30 EAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001102223287 792534193 /nfs/dbraw/zinc/53/41/93/792534193.db2.gz XSEIPOYWPAIJLN-JHJVBQTASA-N 1 0 337.424 -1.004 20 30 EAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001102223288 792535176 /nfs/dbraw/zinc/53/51/76/792535176.db2.gz XSEIPOYWPAIJLN-UPJWGTAASA-N 1 0 337.424 -1.004 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102242656 792535863 /nfs/dbraw/zinc/53/58/63/792535863.db2.gz GQVWDBXCEGIHRJ-GRYCIOLGSA-N 1 0 333.396 -1.354 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102242657 792535584 /nfs/dbraw/zinc/53/55/84/792535584.db2.gz GQVWDBXCEGIHRJ-IJLUTSLNSA-N 1 0 333.396 -1.354 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001102247625 792535307 /nfs/dbraw/zinc/53/53/07/792535307.db2.gz ZVFLOCRYJLEEAC-UPJWGTAASA-N 1 0 335.408 -1.069 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001102250913 792534156 /nfs/dbraw/zinc/53/41/56/792534156.db2.gz OSUNKVKSTLEWAS-JHJVBQTASA-N 1 0 335.408 -1.211 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001102250914 792535710 /nfs/dbraw/zinc/53/57/10/792535710.db2.gz OSUNKVKSTLEWAS-UPJWGTAASA-N 1 0 335.408 -1.211 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001102251127 792534403 /nfs/dbraw/zinc/53/44/03/792534403.db2.gz WBFSNCBTZLUUNH-MCIONIFRSA-N 1 0 334.420 -1.102 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001102251128 792535503 /nfs/dbraw/zinc/53/55/03/792535503.db2.gz WBFSNCBTZLUUNH-MGPQQGTHSA-N 1 0 334.420 -1.102 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001102270970 792535452 /nfs/dbraw/zinc/53/54/52/792535452.db2.gz ZVFLOCRYJLEEAC-JHJVBQTASA-N 1 0 335.408 -1.069 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001102285236 792535033 /nfs/dbraw/zinc/53/50/33/792535033.db2.gz GZLSUDCNEKWRES-GHMZBOCLSA-N 1 0 332.364 -1.293 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC001102285493 792533935 /nfs/dbraw/zinc/53/39/35/792533935.db2.gz SVEZEDVYUVHDNC-VXGBXAGGSA-N 1 0 331.376 -1.183 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102301081 792535887 /nfs/dbraw/zinc/53/58/87/792535887.db2.gz OYIPZCUFBOXJAR-GMTAPVOTSA-N 1 0 339.396 -1.444 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102301082 792535833 /nfs/dbraw/zinc/53/58/33/792535833.db2.gz OYIPZCUFBOXJAR-OUAUKWLOSA-N 1 0 339.396 -1.444 20 30 EAEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102310322 792536613 /nfs/dbraw/zinc/53/66/13/792536613.db2.gz RJOLDCODGGAHRT-NXEZZACHSA-N 1 0 325.369 -1.832 20 30 EAEDRO COC[C@@H](OC)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102339273 792536956 /nfs/dbraw/zinc/53/69/56/792536956.db2.gz JIKBTBGOFNVMAC-JHJVBQTASA-N 1 0 326.397 -1.028 20 30 EAEDRO COC[C@H](OC)C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102339274 792537297 /nfs/dbraw/zinc/53/72/97/792537297.db2.gz JIKBTBGOFNVMAC-UPJWGTAASA-N 1 0 326.397 -1.028 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001102343689 792537667 /nfs/dbraw/zinc/53/76/67/792537667.db2.gz KYGUTBAGROGZNY-HSMVNMDESA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC001102359394 792537085 /nfs/dbraw/zinc/53/70/85/792537085.db2.gz IGLDFKXJBBPGRR-HSMVNMDESA-N 1 0 335.408 -1.164 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC001102359395 792537760 /nfs/dbraw/zinc/53/77/60/792537760.db2.gz IGLDFKXJBBPGRR-XHBSWPGZSA-N 1 0 335.408 -1.164 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(C)CCNC2=O)[C@H](C)C1 ZINC001102364456 792537494 /nfs/dbraw/zinc/53/74/94/792537494.db2.gz NLVMLPDKEZYWRM-PBFPGSCMSA-N 1 0 334.420 -1.054 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)[C@H](C)C1 ZINC001102364457 792537969 /nfs/dbraw/zinc/53/79/69/792537969.db2.gz NLVMLPDKEZYWRM-XNJGSVPQSA-N 1 0 334.420 -1.054 20 30 EAEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 ZINC001102406368 792539959 /nfs/dbraw/zinc/53/99/59/792539959.db2.gz PNYYLOQRKAPTNU-UPJWGTAASA-N 1 0 336.392 -1.082 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 ZINC001102406378 792538754 /nfs/dbraw/zinc/53/87/54/792538754.db2.gz QDDSDUDHKFMACF-UTUOFQBUSA-N 1 0 349.391 -1.982 20 30 EAEDRO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)nn1 ZINC001102443038 792541244 /nfs/dbraw/zinc/54/12/44/792541244.db2.gz WWEYUDWMMBMFDL-GHMZBOCLSA-N 1 0 349.395 -1.043 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001102462583 792542352 /nfs/dbraw/zinc/54/23/52/792542352.db2.gz YHTKMXSTSDATLY-JHJVBQTASA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001102462584 792540866 /nfs/dbraw/zinc/54/08/66/792540866.db2.gz YHTKMXSTSDATLY-UPJWGTAASA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)C1(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)CC1 ZINC001102462707 792541319 /nfs/dbraw/zinc/54/13/19/792541319.db2.gz FEAGKUNHFAKNMZ-VXGBXAGGSA-N 1 0 335.408 -1.164 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC001102462818 792541647 /nfs/dbraw/zinc/54/16/47/792541647.db2.gz LFGPRTJGLBWADB-DGCLKSJQSA-N 1 0 348.403 -1.527 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C(=O)NC)CC2)[C@H](C)C1 ZINC001102462825 792540968 /nfs/dbraw/zinc/54/09/68/792540968.db2.gz LJWJARDVJZGFDW-CHWSQXEVSA-N 1 0 334.420 -1.054 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001102462833 792541921 /nfs/dbraw/zinc/54/19/21/792541921.db2.gz LQCHEFUPKFEFLC-ZYHUDNBSSA-N 1 0 349.391 -1.637 20 30 EAEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472572 792545109 /nfs/dbraw/zinc/54/51/09/792545109.db2.gz KERBMQLADBBHKS-CHWSQXEVSA-N 1 0 336.392 -1.128 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472826 792543483 /nfs/dbraw/zinc/54/34/83/792543483.db2.gz XIBFZSOZLIEOHO-VXGBXAGGSA-N 1 0 349.391 -2.028 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479128 792544872 /nfs/dbraw/zinc/54/48/72/792544872.db2.gz AUMRYWFNMUCXGM-CHWSQXEVSA-N 1 0 333.396 -1.503 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCn1cnnn1 ZINC001102479267 792544651 /nfs/dbraw/zinc/54/46/51/792544651.db2.gz IHHPOZUNAFSOSA-VXGBXAGGSA-N 1 0 334.384 -1.613 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479870 792545469 /nfs/dbraw/zinc/54/54/69/792545469.db2.gz LXPZYCIZTZCEOI-HZSPNIEDSA-N 1 0 347.423 -1.115 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479871 792543696 /nfs/dbraw/zinc/54/36/96/792543696.db2.gz LXPZYCIZTZCEOI-MGPQQGTHSA-N 1 0 347.423 -1.115 20 30 EAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001102486454 792543716 /nfs/dbraw/zinc/54/37/16/792543716.db2.gz FRNUDQANDYQJEV-DGCLKSJQSA-N 1 0 335.408 -1.164 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(=O)NCC2CC2)[C@H](C)C1 ZINC001102486509 792542940 /nfs/dbraw/zinc/54/29/40/792542940.db2.gz IHMFRYNNONFJGG-TZMCWYRMSA-N 1 0 334.420 -1.054 20 30 EAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](C)C1 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ZINC001105868173 785889820 /nfs/dbraw/zinc/88/98/20/785889820.db2.gz HQFACCYDCOKNKK-TZMCWYRMSA-N 1 0 334.420 -1.054 20 30 EAEDRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001105874399 785890315 /nfs/dbraw/zinc/89/03/15/785890315.db2.gz HQVYOVGDGYLBDI-GHMZBOCLSA-N 1 0 325.369 -1.334 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001105889145 785895641 /nfs/dbraw/zinc/89/56/41/785895641.db2.gz KWRJVWLBYNGXLH-VXGBXAGGSA-N 1 0 329.422 -1.536 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001105889524 785895622 /nfs/dbraw/zinc/89/56/22/785895622.db2.gz RHFQGXAJQRKQLR-FRRDWIJNSA-N 1 0 343.449 -1.147 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001105889525 785895420 /nfs/dbraw/zinc/89/54/20/785895420.db2.gz RHFQGXAJQRKQLR-JHJVBQTASA-N 1 0 343.449 -1.147 20 30 EAEDRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105895630 785896885 /nfs/dbraw/zinc/89/68/85/785896885.db2.gz DXHADKZGCSCJGR-GHMZBOCLSA-N 1 0 330.410 -1.645 20 30 EAEDRO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCN2CCOCC2)nn1 ZINC001105901539 785898706 /nfs/dbraw/zinc/89/87/06/785898706.db2.gz AEZLQWDUQCELJN-CYBMUJFWSA-N 1 0 334.380 -1.040 20 30 EAEDRO N#Cc1ccc(NC[C@H](O)CNC(=O)CCN2CCOCC2)nn1 ZINC001105901540 785898060 /nfs/dbraw/zinc/89/80/60/785898060.db2.gz AEZLQWDUQCELJN-ZDUSSCGKSA-N 1 0 334.380 -1.040 20 30 EAEDRO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCN2CCOCC2)cn1 ZINC001105901915 785897681 /nfs/dbraw/zinc/89/76/81/785897681.db2.gz KKSZWSVFRMXKJI-CYBMUJFWSA-N 1 0 334.380 -1.040 20 30 EAEDRO N#Cc1cnc(NC[C@H](O)CNC(=O)CCN2CCOCC2)cn1 ZINC001105901916 785898409 /nfs/dbraw/zinc/89/84/09/785898409.db2.gz KKSZWSVFRMXKJI-ZDUSSCGKSA-N 1 0 334.380 -1.040 20 30 EAEDRO N#Cc1nccnc1NC[C@H](O)CNC(=O)CCN1CCOCC1 ZINC001105902027 785898320 /nfs/dbraw/zinc/89/83/20/785898320.db2.gz NJRAFFRDKNHFAS-GFCCVEGCSA-N 1 0 334.380 -1.040 20 30 EAEDRO N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001105902028 785898615 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348.407 -1.230 20 30 EAEDRO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105956729 785911963 /nfs/dbraw/zinc/91/19/63/785911963.db2.gz GAQPBGVVUSQPHR-GHMZBOCLSA-N 1 0 331.380 -1.004 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001105964916 785913952 /nfs/dbraw/zinc/91/39/52/785913952.db2.gz DKKGBRLBQLAWPU-GHMZBOCLSA-N 1 0 339.396 -1.442 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001105974100 785916444 /nfs/dbraw/zinc/91/64/44/785916444.db2.gz OCRQACXZPFHEAU-KFWWJZLASA-N 1 0 336.436 -1.250 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001105974101 785916711 /nfs/dbraw/zinc/91/67/11/785916711.db2.gz OCRQACXZPFHEAU-RBSFLKMASA-N 1 0 336.436 -1.250 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978943 785917826 /nfs/dbraw/zinc/91/78/26/785917826.db2.gz MXQNPWOBHIESOK-MCIONIFRSA-N 1 0 337.424 -1.359 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978944 785917804 /nfs/dbraw/zinc/91/78/04/785917804.db2.gz MXQNPWOBHIESOK-MGPQQGTHSA-N 1 0 337.424 -1.359 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C ZINC001106003382 785922605 /nfs/dbraw/zinc/92/26/05/785922605.db2.gz COIOQXPINMTVNM-HZSPNIEDSA-N 1 0 334.420 -1.054 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C ZINC001106003383 785922097 /nfs/dbraw/zinc/92/20/97/785922097.db2.gz COIOQXPINMTVNM-MGPQQGTHSA-N 1 0 334.420 -1.054 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106005317 785921650 /nfs/dbraw/zinc/92/16/50/785921650.db2.gz MMDXEVYQLIGMCX-FRRDWIJNSA-N 1 0 335.408 -1.164 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106005318 785922527 /nfs/dbraw/zinc/92/25/27/785922527.db2.gz MMDXEVYQLIGMCX-JHJVBQTASA-N 1 0 335.408 -1.164 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C ZINC001106018340 785926370 /nfs/dbraw/zinc/92/63/70/785926370.db2.gz JMYUUQOTGQLUHP-HUUCEWRRSA-N 1 0 336.436 -1.248 20 30 EAEDRO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106018531 785925656 /nfs/dbraw/zinc/92/56/56/785925656.db2.gz NWUPIFZLUXPKIY-ZIAGYGMSSA-N 1 0 337.424 -1.358 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106021595 785925970 /nfs/dbraw/zinc/92/59/70/785925970.db2.gz ZFAIXWKJIFDVEF-MCIONIFRSA-N 1 0 337.424 -1.359 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106021596 785925729 /nfs/dbraw/zinc/92/57/29/785925729.db2.gz ZFAIXWKJIFDVEF-MGPQQGTHSA-N 1 0 337.424 -1.359 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C ZINC001106022295 785926038 /nfs/dbraw/zinc/92/60/38/785926038.db2.gz MLDPLJYAOQYXGR-KFWWJZLASA-N 1 0 336.436 -1.250 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C ZINC001106022296 785925895 /nfs/dbraw/zinc/92/58/95/785925895.db2.gz MLDPLJYAOQYXGR-RBSFLKMASA-N 1 0 336.436 -1.250 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001106028166 785927611 /nfs/dbraw/zinc/92/76/11/785927611.db2.gz QDERGYAACGKZSL-FRRDWIJNSA-N 1 0 348.407 -1.194 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001106028167 785927323 /nfs/dbraw/zinc/92/73/23/785927323.db2.gz QDERGYAACGKZSL-JHJVBQTASA-N 1 0 348.407 -1.194 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001106028338 785927414 /nfs/dbraw/zinc/92/74/14/785927414.db2.gz TUVDKYOVZIQYRU-VXGBXAGGSA-N 1 0 334.380 -1.583 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106028997 785928432 /nfs/dbraw/zinc/92/84/32/785928432.db2.gz DCYGLBOSXNQGPX-CHWSQXEVSA-N 1 0 333.392 -1.550 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106029114 785928524 /nfs/dbraw/zinc/92/85/24/785928524.db2.gz HEFAWIZFHDTAJW-VXGBXAGGSA-N 1 0 348.407 -1.568 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106029226 785928854 /nfs/dbraw/zinc/92/88/54/785928854.db2.gz LTIBDCNPSFDDGW-CHWSQXEVSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NCC#C)C[C@H]1C ZINC001106029515 785928593 /nfs/dbraw/zinc/92/85/93/785928593.db2.gz VSJGTXIFQJRTKT-ZIAGYGMSSA-N 1 0 332.404 -1.441 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001106029580 785928436 /nfs/dbraw/zinc/92/84/36/785928436.db2.gz YYQFWWKEMCIBTM-VXGBXAGGSA-N 1 0 333.396 -1.466 20 30 EAEDRO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106031513 785928828 /nfs/dbraw/zinc/92/88/28/785928828.db2.gz ANURABGZQFGAAG-GHMZBOCLSA-N 1 0 333.396 -1.060 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106034302 785929254 /nfs/dbraw/zinc/92/92/54/785929254.db2.gz BFBHUMFZBSINSK-MCIONIFRSA-N 1 0 325.409 -1.183 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106034306 785929368 /nfs/dbraw/zinc/92/93/68/785929368.db2.gz BFBHUMFZBSINSK-MGPQQGTHSA-N 1 0 325.409 -1.183 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106034605 785929820 /nfs/dbraw/zinc/92/98/20/785929820.db2.gz IISANOPJBDOORT-JHJVBQTASA-N 1 0 348.403 -1.385 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106034606 785929960 /nfs/dbraw/zinc/92/99/60/785929960.db2.gz IISANOPJBDOORT-UPJWGTAASA-N 1 0 348.403 -1.385 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106034816 785929906 /nfs/dbraw/zinc/92/99/06/785929906.db2.gz MWWJVHVJHDJROR-ZIAGYGMSSA-N 1 0 325.409 -1.181 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106035234 785929355 /nfs/dbraw/zinc/92/93/55/785929355.db2.gz PQPGUZJCZCLIAA-GHMZBOCLSA-N 1 0 337.380 -1.995 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCC#C)[C@H](C)C1 ZINC001106035566 785929896 /nfs/dbraw/zinc/92/98/96/785929896.db2.gz 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C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C ZINC001106054555 785935395 /nfs/dbraw/zinc/93/53/95/785935395.db2.gz GDNDBEKEUOZPAL-TZMCWYRMSA-N 1 0 334.420 -1.102 20 30 EAEDRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106055219 785935141 /nfs/dbraw/zinc/93/51/41/785935141.db2.gz RGRXNQHTBPPVCF-GHMZBOCLSA-N 1 0 335.364 -1.084 20 30 EAEDRO CC(=O)N1CC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106056486 785936803 /nfs/dbraw/zinc/93/68/03/785936803.db2.gz SHEIQYWBSMHZIP-DGCLKSJQSA-N 1 0 335.408 -1.211 20 30 EAEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2ccnc(C#N)n2)C1 ZINC001106072898 785939919 /nfs/dbraw/zinc/93/99/19/785939919.db2.gz MWKKXMOMESWOQM-CHWSQXEVSA-N 1 0 348.407 -1.232 20 30 EAEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2ccnc(C#N)n2)C1 ZINC001106072899 785938968 /nfs/dbraw/zinc/93/89/68/785938968.db2.gz MWKKXMOMESWOQM-OLZOCXBDSA-N 1 0 348.407 -1.232 20 30 EAEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ccnc(C#N)n2)C1 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RWPIIMOEBNTKGW-FRRDWIJNSA-N 1 0 337.424 -1.133 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C ZINC001106126592 785971037 /nfs/dbraw/zinc/97/10/37/785971037.db2.gz RWPIIMOEBNTKGW-JHJVBQTASA-N 1 0 337.424 -1.133 20 30 EAEDRO C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)NC(N)=O ZINC001106126675 785971485 /nfs/dbraw/zinc/97/14/85/785971485.db2.gz SOGGBMJQYWAYRV-GRYCIOLGSA-N 1 0 338.412 -1.243 20 30 EAEDRO C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)NC(N)=O ZINC001106126678 785971444 /nfs/dbraw/zinc/97/14/44/785971444.db2.gz SOGGBMJQYWAYRV-IJLUTSLNSA-N 1 0 338.412 -1.243 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001106139110 785984048 /nfs/dbraw/zinc/98/40/48/785984048.db2.gz OBLUEMJBEZUUAG-FRRDWIJNSA-N 1 0 333.396 -1.505 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001106139111 785984090 /nfs/dbraw/zinc/98/40/90/785984090.db2.gz OBLUEMJBEZUUAG-JHJVBQTASA-N 1 0 333.396 -1.505 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001106151429 785996580 /nfs/dbraw/zinc/99/65/80/785996580.db2.gz RUWQCAMVQOVZLK-CHWSQXEVSA-N 1 0 348.407 -1.289 20 30 EAEDRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106171044 786006240 /nfs/dbraw/zinc/00/62/40/786006240.db2.gz DVTJYVYMBVZENO-GHMZBOCLSA-N 1 0 342.421 -1.645 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001106171141 786005562 /nfs/dbraw/zinc/00/55/62/786005562.db2.gz JGRLARBYFHSTOO-VXGBXAGGSA-N 1 0 341.433 -1.536 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106199805 786010945 /nfs/dbraw/zinc/01/09/45/786010945.db2.gz BRZUXSPBQFCDBP-FRRDWIJNSA-N 1 0 335.408 -1.211 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106199806 786011462 /nfs/dbraw/zinc/01/14/62/786011462.db2.gz BRZUXSPBQFCDBP-JHJVBQTASA-N 1 0 335.408 -1.211 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001106200679 786011058 /nfs/dbraw/zinc/01/10/58/786011058.db2.gz LIKGNXRTVGHSLE-HZSPNIEDSA-N 1 0 334.420 -1.102 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001106200680 786011494 /nfs/dbraw/zinc/01/14/94/786011494.db2.gz LIKGNXRTVGHSLE-MGPQQGTHSA-N 1 0 334.420 -1.102 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001106212936 786010762 /nfs/dbraw/zinc/01/07/62/786010762.db2.gz ASFIURPIZFLAFU-VXGBXAGGSA-N 1 0 325.413 -1.098 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001106216287 786012562 /nfs/dbraw/zinc/01/25/62/786012562.db2.gz JCVXSNWZIGOBOD-FRRDWIJNSA-N 1 0 337.424 -1.263 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001106216288 786012232 /nfs/dbraw/zinc/01/22/32/786012232.db2.gz JCVXSNWZIGOBOD-JHJVBQTASA-N 1 0 337.424 -1.263 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C ZINC001106240121 786012746 /nfs/dbraw/zinc/01/27/46/786012746.db2.gz KWAXAVBSIIHXMY-HZSPNIEDSA-N 1 0 334.420 -1.054 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C ZINC001106240122 786012794 /nfs/dbraw/zinc/01/27/94/786012794.db2.gz KWAXAVBSIIHXMY-MGPQQGTHSA-N 1 0 334.420 -1.054 20 30 EAEDRO C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106242361 786012053 /nfs/dbraw/zinc/01/20/53/786012053.db2.gz GUYDMFALEPRCOV-FRRDWIJNSA-N 1 0 335.408 -1.164 20 30 EAEDRO C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106242362 786012034 /nfs/dbraw/zinc/01/20/34/786012034.db2.gz GUYDMFALEPRCOV-JHJVBQTASA-N 1 0 335.408 -1.164 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001106264930 786014202 /nfs/dbraw/zinc/01/42/02/786014202.db2.gz NMGKKDPJJURLPT-UPJWGTAASA-N 1 0 336.392 -1.082 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001106265119 786013651 /nfs/dbraw/zinc/01/36/51/786013651.db2.gz UPYOMCVXRAMJSW-UTUOFQBUSA-N 1 0 349.391 -1.982 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106266639 786014304 /nfs/dbraw/zinc/01/43/04/786014304.db2.gz VOMHXABGAVJMMF-MCIONIFRSA-N 1 0 349.435 -1.037 20 30 EAEDRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106269833 786014270 /nfs/dbraw/zinc/01/42/70/786014270.db2.gz FCPSCRLRWFCTGR-VXGBXAGGSA-N 1 0 346.391 -1.282 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C ZINC001106270048 786013992 /nfs/dbraw/zinc/01/39/92/786013992.db2.gz PWLHCHNCBQHKAL-CHWSQXEVSA-N 1 0 345.403 -1.173 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106282946 786013628 /nfs/dbraw/zinc/01/36/28/786013628.db2.gz KEUAJTBLIXMJGC-JHJVBQTASA-N 1 0 335.408 -1.164 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106282947 786013355 /nfs/dbraw/zinc/01/33/55/786013355.db2.gz KEUAJTBLIXMJGC-UPJWGTAASA-N 1 0 335.408 -1.164 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C ZINC001106283452 786014107 /nfs/dbraw/zinc/01/41/07/786014107.db2.gz RESHPGVIINUSQD-MCIONIFRSA-N 1 0 334.420 -1.054 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C ZINC001106283456 786014017 /nfs/dbraw/zinc/01/40/17/786014017.db2.gz RESHPGVIINUSQD-MGPQQGTHSA-N 1 0 334.420 -1.054 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106294465 786014081 /nfs/dbraw/zinc/01/40/81/786014081.db2.gz SWUFPOSSISWXHG-JHJVBQTASA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)S(C)(=O)=O ZINC001106324411 786015498 /nfs/dbraw/zinc/01/54/98/786015498.db2.gz NYNNUASQBRVQCS-GRYCIOLGSA-N 1 0 344.437 -1.257 20 30 EAEDRO C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)S(C)(=O)=O ZINC001106324412 786015066 /nfs/dbraw/zinc/01/50/66/786015066.db2.gz NYNNUASQBRVQCS-IJLUTSLNSA-N 1 0 344.437 -1.257 20 30 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N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001108693281 786571070 /nfs/dbraw/zinc/57/10/70/786571070.db2.gz BOIFYSGVYYIRRQ-AVGNSLFASA-N 1 0 331.380 -1.113 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001108693282 786571114 /nfs/dbraw/zinc/57/11/14/786571114.db2.gz BOIFYSGVYYIRRQ-XQQFMLRXSA-N 1 0 331.380 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001108693867 786570823 /nfs/dbraw/zinc/57/08/23/786570823.db2.gz UPMOTSDHKHHGBO-IHRRRGAJSA-N 1 0 330.392 -1.003 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 ZINC001108693868 786570864 /nfs/dbraw/zinc/57/08/64/786570864.db2.gz UPMOTSDHKHHGBO-MJBXVCDLSA-N 1 0 330.392 -1.003 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)NC)C2 ZINC001108699088 786570706 /nfs/dbraw/zinc/57/07/06/786570706.db2.gz OBKTZSPOYMHUQI-AVGNSLFASA-N 1 0 335.408 -1.366 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)NC)C2 ZINC001108699089 786571067 /nfs/dbraw/zinc/57/10/67/786571067.db2.gz OBKTZSPOYMHUQI-XQQFMLRXSA-N 1 0 335.408 -1.366 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 ZINC001108740373 786572122 /nfs/dbraw/zinc/57/21/22/786572122.db2.gz LPINLOQGKGEXLM-SRVKXCTJSA-N 1 0 331.380 -1.458 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 ZINC001108740374 786571810 /nfs/dbraw/zinc/57/18/10/786571810.db2.gz LPINLOQGKGEXLM-TUAOUCFPSA-N 1 0 331.380 -1.458 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(=O)cn1)C2 ZINC001108749469 786573102 /nfs/dbraw/zinc/57/31/02/786573102.db2.gz BHLLKVNEWOUBIH-SRVKXCTJSA-N 1 0 344.375 -1.008 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(=O)cn1)C2 ZINC001108749470 786573090 /nfs/dbraw/zinc/57/30/90/786573090.db2.gz BHLLKVNEWOUBIH-TUAOUCFPSA-N 1 0 344.375 -1.008 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001108751151 786572939 /nfs/dbraw/zinc/57/29/39/786572939.db2.gz LEBIPMZKLXEPCD-SRVKXCTJSA-N 1 0 333.392 -1.139 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001108751152 786572712 /nfs/dbraw/zinc/57/27/12/786572712.db2.gz LEBIPMZKLXEPCD-TUAOUCFPSA-N 1 0 333.392 -1.139 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001108751167 786572842 /nfs/dbraw/zinc/57/28/42/786572842.db2.gz LRULRWQDNHEYBW-AVGNSLFASA-N 1 0 332.404 -1.030 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 ZINC001108751168 786573035 /nfs/dbraw/zinc/57/30/35/786573035.db2.gz LRULRWQDNHEYBW-XQQFMLRXSA-N 1 0 332.404 -1.030 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754683 786573038 /nfs/dbraw/zinc/57/30/38/786573038.db2.gz KYZHJPBITQEAKP-AXFHLTTASA-N 1 0 337.380 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754684 786573046 /nfs/dbraw/zinc/57/30/46/786573046.db2.gz KYZHJPBITQEAKP-DCAQKATOSA-N 1 0 337.380 -1.547 20 30 EAEDRO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)N(C)C)C2 ZINC001108769740 786574260 /nfs/dbraw/zinc/57/42/60/786574260.db2.gz CDOQLIQFYUIFJN-AVGNSLFASA-N 1 0 328.438 -1.015 20 30 EAEDRO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)N(C)C)C2 ZINC001108769741 786574142 /nfs/dbraw/zinc/57/41/42/786574142.db2.gz CDOQLIQFYUIFJN-XQQFMLRXSA-N 1 0 328.438 -1.015 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001108783828 786573866 /nfs/dbraw/zinc/57/38/66/786573866.db2.gz DCVSYKVDMOCSEO-AVGNSLFASA-N 1 0 346.395 -1.328 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001108783829 786574342 /nfs/dbraw/zinc/57/43/42/786574342.db2.gz DCVSYKVDMOCSEO-XQQFMLRXSA-N 1 0 346.395 -1.328 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001108784358 786573583 /nfs/dbraw/zinc/57/35/83/786573583.db2.gz QZGUASKTPQAXRM-IHRRRGAJSA-N 1 0 345.407 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC001108784359 786574117 /nfs/dbraw/zinc/57/41/17/786574117.db2.gz QZGUASKTPQAXRM-MJBXVCDLSA-N 1 0 345.407 -1.218 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nnc[nH]1)C2 ZINC001108794373 786575050 /nfs/dbraw/zinc/57/50/50/786575050.db2.gz WIGXCMUJEVOZMM-SRVKXCTJSA-N 1 0 331.380 -1.044 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nnc[nH]1)C2 ZINC001108794374 786574852 /nfs/dbraw/zinc/57/48/52/786574852.db2.gz WIGXCMUJEVOZMM-TUAOUCFPSA-N 1 0 331.380 -1.044 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001108813442 786575272 /nfs/dbraw/zinc/57/52/72/786575272.db2.gz QJZVMKQUDXZITD-IHRRRGAJSA-N 1 0 330.392 -1.003 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001108813443 786575045 /nfs/dbraw/zinc/57/50/45/786575045.db2.gz QJZVMKQUDXZITD-MJBXVCDLSA-N 1 0 330.392 -1.003 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001108814013 786575227 /nfs/dbraw/zinc/57/52/27/786575227.db2.gz IOPUXGUOPSUSPE-AVGNSLFASA-N 1 0 331.380 -1.113 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 ZINC001108814014 786574965 /nfs/dbraw/zinc/57/49/65/786574965.db2.gz IOPUXGUOPSUSPE-XQQFMLRXSA-N 1 0 331.380 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 ZINC001108816981 786575141 /nfs/dbraw/zinc/57/51/41/786575141.db2.gz DAKNUKIVMRNLGO-AVGNSLFASA-N 1 0 335.408 -1.237 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 ZINC001108816982 786574961 /nfs/dbraw/zinc/57/49/61/786574961.db2.gz DAKNUKIVMRNLGO-XQQFMLRXSA-N 1 0 335.408 -1.237 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 ZINC001108817097 786574876 /nfs/dbraw/zinc/57/48/76/786574876.db2.gz GUZFLZFECQHDQR-SRVKXCTJSA-N 1 0 336.396 -1.346 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 ZINC001108817098 786574867 /nfs/dbraw/zinc/57/48/67/786574867.db2.gz GUZFLZFECQHDQR-TUAOUCFPSA-N 1 0 336.396 -1.346 20 30 EAEDRO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)Cn1cncn1)C2 ZINC001108830876 786575146 /nfs/dbraw/zinc/57/51/46/786575146.db2.gz ZBOPUXOFJFBIMI-IHRRRGAJSA-N 1 0 330.392 -1.003 20 30 EAEDRO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)Cn1cncn1)C2 ZINC001108830878 786575162 /nfs/dbraw/zinc/57/51/62/786575162.db2.gz ZBOPUXOFJFBIMI-MJBXVCDLSA-N 1 0 330.392 -1.003 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109175233 786594269 /nfs/dbraw/zinc/59/42/69/786594269.db2.gz BGYXKJAXBLYICJ-RDBSUJKOSA-N 1 0 347.419 -1.127 20 30 EAEDRO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001109564464 786611275 /nfs/dbraw/zinc/61/12/75/786611275.db2.gz RZDBPAWZIJFYIL-AGIUHOORSA-N 1 0 346.453 -1.036 20 30 EAEDRO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109945584 786621838 /nfs/dbraw/zinc/62/18/38/786621838.db2.gz JOEMZGFADRKRLC-CRWXNKLISA-N 1 0 345.407 -1.077 20 30 EAEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109946104 786622127 /nfs/dbraw/zinc/62/21/27/786622127.db2.gz SNZWXOKDGQXOKL-CRWXNKLISA-N 1 0 345.407 -1.077 20 30 EAEDRO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109961899 786622885 /nfs/dbraw/zinc/62/28/85/786622885.db2.gz JOEMZGFADRKRLC-MQYQWHSLSA-N 1 0 345.407 -1.077 20 30 EAEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109962269 786622733 /nfs/dbraw/zinc/62/27/33/786622733.db2.gz SNZWXOKDGQXOKL-MQYQWHSLSA-N 1 0 345.407 -1.077 20 30 EAEDRO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001109977392 786622659 /nfs/dbraw/zinc/62/26/59/786622659.db2.gz HMZAJKKVEJKCMT-RDBSUJKOSA-N 1 0 337.424 -1.074 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110465402 790989842 /nfs/dbraw/zinc/98/98/42/790989842.db2.gz BGYXKJAXBLYICJ-MCIONIFRSA-N 1 0 347.419 -1.127 20 30 EAEDRO C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631758 791412669 /nfs/dbraw/zinc/41/26/69/791412669.db2.gz MLVAUDLPIFKMKW-LOWDOPEQSA-N 1 0 335.408 -1.225 20 30 EAEDRO C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631759 791412116 /nfs/dbraw/zinc/41/21/16/791412116.db2.gz MLVAUDLPIFKMKW-LPWJVIDDSA-N 1 0 335.408 -1.225 20 30 EAEDRO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001110861461 791471593 /nfs/dbraw/zinc/47/15/93/791471593.db2.gz RZDBPAWZIJFYIL-UPJWGTAASA-N 1 0 346.453 -1.036 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 ZINC001111086923 791606120 /nfs/dbraw/zinc/60/61/20/791606120.db2.gz DQEIWPRYIPJSJI-INIZCTEOSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 ZINC001111086924 791606203 /nfs/dbraw/zinc/60/62/03/791606203.db2.gz DQEIWPRYIPJSJI-MRXNPFEDSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 ZINC001111087501 791606212 /nfs/dbraw/zinc/60/62/12/791606212.db2.gz KSPWQFWJMNAKCN-INIZCTEOSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 ZINC001111087502 791605931 /nfs/dbraw/zinc/60/59/31/791605931.db2.gz KSPWQFWJMNAKCN-MRXNPFEDSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 ZINC001111087842 791606708 /nfs/dbraw/zinc/60/67/08/791606708.db2.gz PTCGRCTWNYKZPG-INIZCTEOSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 ZINC001111087843 791605839 /nfs/dbraw/zinc/60/58/39/791605839.db2.gz PTCGRCTWNYKZPG-MRXNPFEDSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 ZINC001111087925 791605764 /nfs/dbraw/zinc/60/57/64/791605764.db2.gz QKQQGANKXUUVFN-INIZCTEOSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 ZINC001111087927 791605922 /nfs/dbraw/zinc/60/59/22/791605922.db2.gz QKQQGANKXUUVFN-MRXNPFEDSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 ZINC001111087968 791606523 /nfs/dbraw/zinc/60/65/23/791606523.db2.gz QZKNIUIRHSLKAJ-INIZCTEOSA-N 1 0 348.407 -1.016 20 30 EAEDRO C[NH+](C)CCOCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 ZINC001111087969 791606751 /nfs/dbraw/zinc/60/67/51/791606751.db2.gz QZKNIUIRHSLKAJ-MRXNPFEDSA-N 1 0 348.407 -1.016 20 30 EAEDRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001111186188 791627788 /nfs/dbraw/zinc/62/77/88/791627788.db2.gz DIDVUFDYBFFZPX-KBPBESRZSA-N 1 0 348.407 -1.066 20 30 EAEDRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O ZINC001111186260 791627719 /nfs/dbraw/zinc/62/77/19/791627719.db2.gz FPEXCZNPRVGJFF-KBPBESRZSA-N 1 0 348.407 -1.066 20 30 EAEDRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O ZINC001111186323 791627398 /nfs/dbraw/zinc/62/73/98/791627398.db2.gz IUGKIFPSZFROOS-KBPBESRZSA-N 1 0 348.407 -1.066 20 30 EAEDRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O ZINC001111186364 791627783 /nfs/dbraw/zinc/62/77/83/791627783.db2.gz KJODZULDJVLOCB-STQMWFEESA-N 1 0 348.407 -1.066 20 30 EAEDRO CN(C(=O)COCC[NH+](C)C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O ZINC001111186498 791627546 /nfs/dbraw/zinc/62/75/46/791627546.db2.gz MVJZPALBLJFBQX-KBPBESRZSA-N 1 0 348.407 -1.066 20 30 EAEDRO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111248649 791631153 /nfs/dbraw/zinc/63/11/53/791631153.db2.gz JOEMZGFADRKRLC-DGAVXFQQSA-N 1 0 345.407 -1.077 20 30 EAEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111248911 791631074 /nfs/dbraw/zinc/63/10/74/791631074.db2.gz 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N#Cc1nccc(NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)n1 ZINC001111315290 791637721 /nfs/dbraw/zinc/63/77/21/791637721.db2.gz PVXUBSHQECWJFQ-UHFFFAOYSA-N 1 0 331.380 -1.362 20 30 EAEDRO CNC(=O)CC(=O)NCC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001111316105 791638982 /nfs/dbraw/zinc/63/89/82/791638982.db2.gz DJROPAQNTVRYEC-UHFFFAOYSA-N 1 0 345.407 -1.101 20 30 EAEDRO C[NH+](C)CCOCC(=O)N(CCO)CCNc1ccnc(C#N)n1 ZINC001111489247 785146273 /nfs/dbraw/zinc/14/62/73/785146273.db2.gz PLBKGGDHQDBLSS-UHFFFAOYSA-N 1 0 336.396 -1.419 20 30 EAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581067 791639483 /nfs/dbraw/zinc/63/94/83/791639483.db2.gz DSQHFLNOFIVHAO-WFASDCNBSA-N 1 0 333.396 -1.054 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581221 792576722 /nfs/dbraw/zinc/57/67/22/792576722.db2.gz LQZLRYJMLJRTFN-WWGRRREGSA-N 1 0 345.407 -1.218 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581222 792577493 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C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111914247 792589740 /nfs/dbraw/zinc/58/97/40/792589740.db2.gz ZPKKSAGFAZYAAP-BBRMVZONSA-N 1 0 345.407 -1.217 20 30 EAEDRO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001111931675 785244795 /nfs/dbraw/zinc/24/47/95/785244795.db2.gz SFMZTXLHYNCQLY-XEZPLFJOSA-N 1 0 345.407 -1.218 20 30 EAEDRO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001111934264 792590928 /nfs/dbraw/zinc/59/09/28/792590928.db2.gz SFMZTXLHYNCQLY-WWGRRREGSA-N 1 0 345.407 -1.218 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1CCO[C@H](CNc2ccnc(C#N)n2)C1 ZINC001111949660 792592751 /nfs/dbraw/zinc/59/27/51/792592751.db2.gz ARUAHJVCPLXXJU-CYBMUJFWSA-N 1 0 348.407 -1.012 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1CCO[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001111949667 792591925 /nfs/dbraw/zinc/59/19/25/792591925.db2.gz ARUAHJVCPLXXJU-ZDUSSCGKSA-N 1 0 348.407 -1.012 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(N)=O)C1 ZINC001111975231 792591712 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ZINC001112335888 792595750 /nfs/dbraw/zinc/59/57/50/792595750.db2.gz LPXYDPHKKLFIQM-OZVIIMIRSA-N 1 0 349.391 -1.047 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001112355560 792595972 /nfs/dbraw/zinc/59/59/72/792595972.db2.gz HFZVBMZLQSIRLO-BBRMVZONSA-N 1 0 345.407 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 ZINC001112355928 792595902 /nfs/dbraw/zinc/59/59/02/792595902.db2.gz YRDWCGWUEPZNDB-WFASDCNBSA-N 1 0 346.395 -1.469 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)NC)C2 ZINC001112383969 792597381 /nfs/dbraw/zinc/59/73/81/792597381.db2.gz ZBDIDMSXGMXRDQ-GUYCJALGSA-N 1 0 349.435 -1.117 20 30 EAEDRO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)NC)C2 ZINC001112496301 785132791 /nfs/dbraw/zinc/13/27/91/785132791.db2.gz PXQBNMXCVJPQNP-JSGCOSHPSA-N 1 0 328.438 -1.108 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 ZINC001112508882 785181845 /nfs/dbraw/zinc/18/18/45/785181845.db2.gz ZZRQNUDWPLWJCO-AHIWAGSCSA-N 1 0 347.419 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 ZINC001112508883 785181905 /nfs/dbraw/zinc/18/19/05/785181905.db2.gz ZZRQNUDWPLWJCO-DCGLDWPTSA-N 1 0 347.419 -1.019 20 30 EAEDRO Cn1nnc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001112510525 785187119 /nfs/dbraw/zinc/18/71/19/785187119.db2.gz SKELDKVGBJOBAQ-NHYWBVRUSA-N 1 0 346.395 -1.318 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1nnn(C)n1)C2 ZINC001112510601 785186497 /nfs/dbraw/zinc/18/64/97/785186497.db2.gz WRPWQGSMYFZONH-LRDDRELGSA-N 1 0 345.407 -1.209 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001112519467 785239600 /nfs/dbraw/zinc/23/96/00/785239600.db2.gz KZDPKRPCVOGAKO-AHIWAGSCSA-N 1 0 347.419 -1.365 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001112519468 785240690 /nfs/dbraw/zinc/24/06/90/785240690.db2.gz KZDPKRPCVOGAKO-DCGLDWPTSA-N 1 0 347.419 -1.365 20 30 EAEDRO 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C=CCOCC(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001124772559 793006085 /nfs/dbraw/zinc/00/60/85/793006085.db2.gz FOMFQWCUQXFXFQ-LBPRGKRZSA-N 1 0 347.437 -1.460 20 30 EAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001124773160 793007297 /nfs/dbraw/zinc/00/72/97/793007297.db2.gz NODDAMGTOOPUHT-UHFFFAOYSA-N 1 0 326.397 -1.415 20 30 EAEDRO C=CCOCC(=O)NCC[NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001124773194 793005967 /nfs/dbraw/zinc/00/59/67/793005967.db2.gz OKWABKXAOJIYGT-CYBMUJFWSA-N 1 0 340.424 -1.026 20 30 EAEDRO C=CCOCC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001124773197 793007277 /nfs/dbraw/zinc/00/72/77/793007277.db2.gz OKWABKXAOJIYGT-ZDUSSCGKSA-N 1 0 340.424 -1.026 20 30 EAEDRO C=CCOCC(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001124773400 786040319 /nfs/dbraw/zinc/04/03/19/786040319.db2.gz QVQBEQBQGNYUJG-UHFFFAOYSA-N 1 0 345.425 -1.393 20 30 EAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N(C)CC(=O)NCCC ZINC001124773466 793006176 /nfs/dbraw/zinc/00/61/76/793006176.db2.gz 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CCN(C(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC001124902655 793014562 /nfs/dbraw/zinc/01/45/62/793014562.db2.gz LPZPCEDRGQBDOC-RYUDHWBXSA-N 1 0 344.437 -1.113 20 30 EAEDRO CCN(C(=O)C[NH2+]CCNC(=O)[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC001124902656 793013615 /nfs/dbraw/zinc/01/36/15/793013615.db2.gz LPZPCEDRGQBDOC-VXGBXAGGSA-N 1 0 344.437 -1.113 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001124902824 793014995 /nfs/dbraw/zinc/01/49/95/793014995.db2.gz NFGRWVUOHFNIRW-JTQLQIEISA-N 1 0 328.398 -1.436 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC001124902826 793014546 /nfs/dbraw/zinc/01/45/46/793014546.db2.gz NFGRWVUOHFNIRW-SNVBAGLBSA-N 1 0 328.398 -1.436 20 30 EAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001124903524 786041803 /nfs/dbraw/zinc/04/18/03/786041803.db2.gz QZOMRHWAABWWJO-LLVKDONJSA-N 1 0 345.425 -2.044 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001124903525 786041817 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335.408 -1.067 20 30 EAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001124908326 786041484 /nfs/dbraw/zinc/04/14/84/786041484.db2.gz IIGAHETVFFWGCG-LBPRGKRZSA-N 1 0 335.408 -1.067 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCOC ZINC001124941773 786041812 /nfs/dbraw/zinc/04/18/12/786041812.db2.gz PDWWCASYMBOFLI-LLVKDONJSA-N 1 0 330.385 -1.245 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCCOC ZINC001124941774 786041797 /nfs/dbraw/zinc/04/17/97/786041797.db2.gz PDWWCASYMBOFLI-NSHDSACASA-N 1 0 330.385 -1.245 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nccnc1N ZINC001125039611 786042771 /nfs/dbraw/zinc/04/27/71/786042771.db2.gz MFGAMKDVFOOSHZ-SECBINFHSA-N 1 0 335.368 -1.222 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccnc1N ZINC001125039615 786042614 /nfs/dbraw/zinc/04/26/14/786042614.db2.gz MFGAMKDVFOOSHZ-VIFPVBQESA-N 1 0 335.368 -1.222 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125185017 786043674 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339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125625602 785201107 /nfs/dbraw/zinc/20/11/07/785201107.db2.gz XXEDYZQJDYZCNI-WDEREUQCSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125687705 785218191 /nfs/dbraw/zinc/21/81/91/785218191.db2.gz HTIFIWGHXHTEBG-JTQLQIEISA-N 1 0 326.353 -1.343 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125687706 785217574 /nfs/dbraw/zinc/21/75/74/785217574.db2.gz HTIFIWGHXHTEBG-SNVBAGLBSA-N 1 0 326.353 -1.343 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)[nH]1 ZINC001125813714 785248424 /nfs/dbraw/zinc/24/84/24/785248424.db2.gz IQUCQJYOZGIHRD-UHFFFAOYSA-N 1 0 346.391 -1.070 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001125814255 785250098 /nfs/dbraw/zinc/25/00/98/785250098.db2.gz RTNQOADQFHLMCX-LLVKDONJSA-N 1 0 333.348 -1.284 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)[nH]1 ZINC001125814256 785250145 /nfs/dbraw/zinc/25/01/45/785250145.db2.gz RTNQOADQFHLMCX-NSHDSACASA-N 1 0 333.348 -1.284 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[nH]1 ZINC001125818564 785250981 /nfs/dbraw/zinc/25/09/81/785250981.db2.gz LBEWRXMVDPTUNC-LLVKDONJSA-N 1 0 346.391 -1.070 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[nH]1 ZINC001125818730 785250073 /nfs/dbraw/zinc/25/00/73/785250073.db2.gz LBEWRXMVDPTUNC-NSHDSACASA-N 1 0 346.391 -1.070 20 30 EAEDRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001125818848 785250354 /nfs/dbraw/zinc/25/03/54/785250354.db2.gz NVQGVRNMZUHNJJ-UHFFFAOYSA-N 1 0 346.391 -1.104 20 30 EAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)[nH]1 ZINC001125819256 785249872 /nfs/dbraw/zinc/24/98/72/785249872.db2.gz VEKIJTMCWAOCHN-UHFFFAOYSA-N 1 0 346.391 -1.056 20 30 EAEDRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(=O)N(C)C ZINC001125819322 785250089 /nfs/dbraw/zinc/25/00/89/785250089.db2.gz XGUQOFJXPAGAGX-JTQLQIEISA-N 1 0 334.380 -1.201 20 30 EAEDRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(=O)N(C)C ZINC001125819323 785250887 /nfs/dbraw/zinc/25/08/87/785250887.db2.gz XGUQOFJXPAGAGX-SNVBAGLBSA-N 1 0 334.380 -1.201 20 30 EAEDRO Cn1c(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)cc(=O)n(C)c1=O ZINC001125819343 785250401 /nfs/dbraw/zinc/25/04/01/785250401.db2.gz YASZFMIPHSCHOB-UHFFFAOYSA-N 1 0 330.348 -1.197 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125892481 785293019 /nfs/dbraw/zinc/29/30/19/785293019.db2.gz YVZQSLFSCUUBIZ-UHFFFAOYSA-N 1 0 325.413 -1.213 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897791 785294729 /nfs/dbraw/zinc/29/47/29/785294729.db2.gz SRWSAFSKHPZGGD-GFCCVEGCSA-N 1 0 341.412 -1.575 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897795 785294822 /nfs/dbraw/zinc/29/48/22/785294822.db2.gz SRWSAFSKHPZGGD-LBPRGKRZSA-N 1 0 341.412 -1.575 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125903792 785298354 /nfs/dbraw/zinc/29/83/54/785298354.db2.gz SVLZARFTGHZGQV-UHFFFAOYSA-N 1 0 327.385 -1.964 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125946102 785341739 /nfs/dbraw/zinc/34/17/39/785341739.db2.gz RXFYFJUGWQHWNY-NEPJUHHUSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125946105 785341219 /nfs/dbraw/zinc/34/12/19/785341219.db2.gz RXFYFJUGWQHWNY-NWDGAFQWSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125946108 785340393 /nfs/dbraw/zinc/34/03/93/785340393.db2.gz RXFYFJUGWQHWNY-RYUDHWBXSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125946110 785341074 /nfs/dbraw/zinc/34/10/74/785341074.db2.gz RXFYFJUGWQHWNY-VXGBXAGGSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125956504 785345073 /nfs/dbraw/zinc/34/50/73/785345073.db2.gz KQKDEURIKUEMEH-GHMZBOCLSA-N 1 0 337.384 -1.055 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125956506 785344710 /nfs/dbraw/zinc/34/47/10/785344710.db2.gz KQKDEURIKUEMEH-MNOVXSKESA-N 1 0 337.384 -1.055 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125956507 785345441 /nfs/dbraw/zinc/34/54/41/785345441.db2.gz KQKDEURIKUEMEH-QWRGUYRKSA-N 1 0 337.384 -1.055 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125956508 785344183 /nfs/dbraw/zinc/34/41/83/785344183.db2.gz KQKDEURIKUEMEH-WDEREUQCSA-N 1 0 337.384 -1.055 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125957552 785345649 /nfs/dbraw/zinc/34/56/49/785345649.db2.gz ZSNBGDMLJVOVAA-CYBMUJFWSA-N 1 0 325.413 -1.215 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125957553 785346722 /nfs/dbraw/zinc/34/67/22/785346722.db2.gz ZSNBGDMLJVOVAA-ZDUSSCGKSA-N 1 0 325.413 -1.215 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125961926 785348409 /nfs/dbraw/zinc/34/84/09/785348409.db2.gz YAFGCQWSTKRQJA-LLVKDONJSA-N 1 0 327.385 -1.965 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125961927 785348457 /nfs/dbraw/zinc/34/84/57/785348457.db2.gz YAFGCQWSTKRQJA-NSHDSACASA-N 1 0 327.385 -1.965 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCCC ZINC001125977988 785350847 /nfs/dbraw/zinc/35/08/47/785350847.db2.gz JNMMDQWHBAPMFB-UHFFFAOYSA-N 1 0 325.369 -1.933 20 30 EAEDRO Cn1c(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)cc(=O)n(C)c1=O ZINC001125978160 785351299 /nfs/dbraw/zinc/35/12/99/785351299.db2.gz MWXSTFANRRYDHI-UHFFFAOYSA-N 1 0 330.348 -1.197 20 30 EAEDRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1)C(=O)N(C)C ZINC001125978176 785350833 /nfs/dbraw/zinc/35/08/33/785350833.db2.gz NJEMLMKHAVQTPS-JTQLQIEISA-N 1 0 334.380 -1.201 20 30 EAEDRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1)C(=O)N(C)C ZINC001125978177 785351007 /nfs/dbraw/zinc/35/10/07/785351007.db2.gz NJEMLMKHAVQTPS-SNVBAGLBSA-N 1 0 334.380 -1.201 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001125978787 785350635 /nfs/dbraw/zinc/35/06/35/785350635.db2.gz XZFYPCXLKNYHAZ-JTQLQIEISA-N 1 0 325.369 -1.934 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001125978788 785351394 /nfs/dbraw/zinc/35/13/94/785351394.db2.gz XZFYPCXLKNYHAZ-SNVBAGLBSA-N 1 0 325.369 -1.934 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)c[nH]1 ZINC001125978808 785351049 /nfs/dbraw/zinc/35/10/49/785351049.db2.gz YWZYLQAYZCENMN-UHFFFAOYSA-N 1 0 346.391 -1.056 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001125978819 785351511 /nfs/dbraw/zinc/35/15/11/785351511.db2.gz ZGBPKEFJZQKNTO-UHFFFAOYSA-N 1 0 331.376 -1.457 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001125981784 785350688 /nfs/dbraw/zinc/35/06/88/785350688.db2.gz KECGBIFJXFLEBN-CHWSQXEVSA-N 1 0 329.397 -1.756 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001125981785 785351493 /nfs/dbraw/zinc/35/14/93/785351493.db2.gz KECGBIFJXFLEBN-OLZOCXBDSA-N 1 0 329.397 -1.756 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001125981786 785351559 /nfs/dbraw/zinc/35/15/59/785351559.db2.gz KECGBIFJXFLEBN-QWHCGFSZSA-N 1 0 329.397 -1.756 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001125981787 785351473 /nfs/dbraw/zinc/35/14/73/785351473.db2.gz KECGBIFJXFLEBN-STQMWFEESA-N 1 0 329.397 -1.756 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001125981851 785351477 /nfs/dbraw/zinc/35/14/77/785351477.db2.gz MLFHQLJMDQISQT-UHFFFAOYSA-N 1 0 332.426 -1.839 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001125981861 785350937 /nfs/dbraw/zinc/35/09/37/785350937.db2.gz MMFRYOQQKUVPEC-LLVKDONJSA-N 1 0 332.364 -1.351 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001125981865 785351567 /nfs/dbraw/zinc/35/15/67/785351567.db2.gz MMFRYOQQKUVPEC-NSHDSACASA-N 1 0 332.364 -1.351 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001125981879 785351467 /nfs/dbraw/zinc/35/14/67/785351467.db2.gz MTEJPAURZYIYPQ-UHFFFAOYSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001125982001 785351796 /nfs/dbraw/zinc/35/17/96/785351796.db2.gz OJWJHCLPFGTBSG-GFCCVEGCSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001125982002 785350518 /nfs/dbraw/zinc/35/05/18/785350518.db2.gz OJWJHCLPFGTBSG-LBPRGKRZSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001125982201 785351119 /nfs/dbraw/zinc/35/11/19/785351119.db2.gz RYRTVQOTUSJDCM-UHFFFAOYSA-N 1 0 336.314 -1.100 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001125982251 785351772 /nfs/dbraw/zinc/35/17/72/785351772.db2.gz UEYWHVPIIMQSOL-UHFFFAOYSA-N 1 0 330.410 -2.133 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001125982290 785350570 /nfs/dbraw/zinc/35/05/70/785350570.db2.gz VNQUQCPSEMEQDD-UHFFFAOYSA-N 1 0 325.413 -1.071 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001125982314 785351072 /nfs/dbraw/zinc/35/10/72/785351072.db2.gz WLNJWLGDRORJLR-UHFFFAOYSA-N 1 0 338.393 -1.370 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001125982381 785351239 /nfs/dbraw/zinc/35/12/39/785351239.db2.gz ZQPYTTOOEBSSDB-UHFFFAOYSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001125994438 785353348 /nfs/dbraw/zinc/35/33/48/785353348.db2.gz BLXHGUGFEHEXCC-GFCCVEGCSA-N 1 0 344.437 -1.887 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001125994441 785352372 /nfs/dbraw/zinc/35/23/72/785352372.db2.gz BLXHGUGFEHEXCC-LBPRGKRZSA-N 1 0 344.437 -1.887 20 30 EAEDRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001125994765 785352997 /nfs/dbraw/zinc/35/29/97/785352997.db2.gz JFMIMWSOBRBALF-UHFFFAOYSA-N 1 0 346.391 -1.104 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)c[nH]1 ZINC001125994919 785353076 /nfs/dbraw/zinc/35/30/76/785353076.db2.gz PDIXIVNQSGJCGI-LLVKDONJSA-N 1 0 346.391 -1.070 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)c[nH]1 ZINC001125994921 785352759 /nfs/dbraw/zinc/35/27/59/785352759.db2.gz PDIXIVNQSGJCGI-NSHDSACASA-N 1 0 346.391 -1.070 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)c[nH]1 ZINC001125995087 785352347 /nfs/dbraw/zinc/35/23/47/785352347.db2.gz SMJVLEVKKCQMGH-UHFFFAOYSA-N 1 0 346.391 -1.070 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001125995141 785353061 /nfs/dbraw/zinc/35/30/61/785353061.db2.gz VONTWUNBHSBDLJ-GFCCVEGCSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001125995142 785353162 /nfs/dbraw/zinc/35/31/62/785353162.db2.gz VONTWUNBHSBDLJ-LBPRGKRZSA-N 1 0 329.422 -1.344 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001125995208 785352434 /nfs/dbraw/zinc/35/24/34/785352434.db2.gz XAGDTFNVMOHBMS-JTQLQIEISA-N 1 0 339.314 -1.229 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001125995211 785353134 /nfs/dbraw/zinc/35/31/34/785353134.db2.gz XAGDTFNVMOHBMS-SNVBAGLBSA-N 1 0 339.314 -1.229 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)c[nH]1 ZINC001125995257 785352226 /nfs/dbraw/zinc/35/22/26/785352226.db2.gz YEXYHECTXBRTTP-GFCCVEGCSA-N 1 0 333.348 -1.284 20 30 EAEDRO N#Cc1cc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)c[nH]1 ZINC001125995259 785353186 /nfs/dbraw/zinc/35/31/86/785353186.db2.gz YEXYHECTXBRTTP-LBPRGKRZSA-N 1 0 333.348 -1.284 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001125997538 785353121 /nfs/dbraw/zinc/35/31/21/785353121.db2.gz ATPIQZYOVFRSMP-CYBMUJFWSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001125997542 785352447 /nfs/dbraw/zinc/35/24/47/785352447.db2.gz ATPIQZYOVFRSMP-ZDUSSCGKSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001125997544 785352106 /nfs/dbraw/zinc/35/21/06/785352106.db2.gz AUZPZQLGBDLBQX-SECBINFHSA-N 1 0 336.314 -1.101 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001125997546 785352507 /nfs/dbraw/zinc/35/25/07/785352507.db2.gz AUZPZQLGBDLBQX-VIFPVBQESA-N 1 0 336.314 -1.101 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001125997591 785353205 /nfs/dbraw/zinc/35/32/05/785353205.db2.gz BJLGJFAMFVJTNB-UHFFFAOYSA-N 1 0 336.314 -1.148 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001125997725 785352250 /nfs/dbraw/zinc/35/22/50/785352250.db2.gz DBUVATLEPZSWEN-KBPBESRZSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001125997726 785353217 /nfs/dbraw/zinc/35/32/17/785353217.db2.gz DBUVATLEPZSWEN-KGLIPLIRSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001125997728 785353260 /nfs/dbraw/zinc/35/32/60/785353260.db2.gz DBUVATLEPZSWEN-UONOGXRCSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001125997730 785352261 /nfs/dbraw/zinc/35/22/61/785352261.db2.gz DBUVATLEPZSWEN-ZIAGYGMSSA-N 1 0 341.408 -1.612 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001125997881 785352474 /nfs/dbraw/zinc/35/24/74/785352474.db2.gz DYIGATWSMWVTEG-UHFFFAOYSA-N 1 0 340.424 -1.237 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001125997894 785352000 /nfs/dbraw/zinc/35/20/00/785352000.db2.gz FMAWMMALYRBTKY-UHFFFAOYSA-N 1 0 334.380 -1.488 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001125997905 785353022 /nfs/dbraw/zinc/35/30/22/785353022.db2.gz GMEGCPWRTNAGDT-UHFFFAOYSA-N 1 0 334.380 -1.190 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001125997927 785353225 /nfs/dbraw/zinc/35/32/25/785353225.db2.gz HGVCSEMQKXAFLJ-JTQLQIEISA-N 1 0 348.325 -1.005 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001125997928 785352056 /nfs/dbraw/zinc/35/20/56/785352056.db2.gz HGVCSEMQKXAFLJ-SNVBAGLBSA-N 1 0 348.325 -1.005 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001125997986 785352707 /nfs/dbraw/zinc/35/27/07/785352707.db2.gz JCBGKIZQVDOASR-UHFFFAOYSA-N 1 0 335.364 -2.571 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOCC ZINC001125997989 785353333 /nfs/dbraw/zinc/35/33/33/785353333.db2.gz JCLGPOCZLWJSJW-CYBMUJFWSA-N 1 0 340.424 -1.237 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOCC ZINC001125997992 785352414 /nfs/dbraw/zinc/35/24/14/785352414.db2.gz JCLGPOCZLWJSJW-ZDUSSCGKSA-N 1 0 340.424 -1.237 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001125998095 785352466 /nfs/dbraw/zinc/35/24/66/785352466.db2.gz JVLPQKQZAQHTQS-LLVKDONJSA-N 1 0 338.364 -2.658 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001125998096 785353102 /nfs/dbraw/zinc/35/31/02/785353102.db2.gz JVLPQKQZAQHTQS-NSHDSACASA-N 1 0 338.364 -2.658 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001125998116 785352283 /nfs/dbraw/zinc/35/22/83/785352283.db2.gz KPMNPQHRWXPASU-LLVKDONJSA-N 1 0 339.396 -2.575 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001125998120 785352302 /nfs/dbraw/zinc/35/23/02/785352302.db2.gz KPMNPQHRWXPASU-NSHDSACASA-N 1 0 339.396 -2.575 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001125998176 785352382 /nfs/dbraw/zinc/35/23/82/785352382.db2.gz LQULGZOYNDNBHU-UHFFFAOYSA-N 1 0 347.437 -1.717 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001125998195 785352262 /nfs/dbraw/zinc/35/22/62/785352262.db2.gz MGBBOBWJPWGFJM-UHFFFAOYSA-N 1 0 332.426 -1.887 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCCCC ZINC001125998231 785353193 /nfs/dbraw/zinc/35/31/93/785353193.db2.gz NCIKEEUDXZITCU-UHFFFAOYSA-N 1 0 339.396 -1.542 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)Nc1c(C)nn(C)c1C ZINC001125998279 785352727 /nfs/dbraw/zinc/35/27/27/785352727.db2.gz NQBPDJODKDCLLI-UHFFFAOYSA-N 1 0 348.407 -1.179 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001125998291 785352951 /nfs/dbraw/zinc/35/29/51/785352951.db2.gz OFWLHOFMHPVVAA-UHFFFAOYSA-N 1 0 339.396 -1.544 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001125998303 785352030 /nfs/dbraw/zinc/35/20/30/785352030.db2.gz OLKOTGGSRGKXQL-UHFFFAOYSA-N 1 0 339.396 -1.687 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001125998313 785352495 /nfs/dbraw/zinc/35/24/95/785352495.db2.gz OMKGGPSFESCHDB-UHFFFAOYSA-N 1 0 335.412 -1.184 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001125998378 785352650 /nfs/dbraw/zinc/35/26/50/785352650.db2.gz PXAVLEVJGSNONK-CHWSQXEVSA-N 1 0 338.408 -1.485 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001125998382 785352569 /nfs/dbraw/zinc/35/25/69/785352569.db2.gz PXAVLEVJGSNONK-OLZOCXBDSA-N 1 0 338.408 -1.485 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001125998384 785353285 /nfs/dbraw/zinc/35/32/85/785353285.db2.gz PXAVLEVJGSNONK-QWHCGFSZSA-N 1 0 338.408 -1.485 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001125998385 785353110 /nfs/dbraw/zinc/35/31/10/785353110.db2.gz PXAVLEVJGSNONK-STQMWFEESA-N 1 0 338.408 -1.485 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC=C ZINC001125998700 785352670 /nfs/dbraw/zinc/35/26/70/785352670.db2.gz TVFCFXOKXPVAHC-LLVKDONJSA-N 1 0 337.380 -1.768 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC=C ZINC001125998704 785352525 /nfs/dbraw/zinc/35/25/25/785352525.db2.gz TVFCFXOKXPVAHC-NSHDSACASA-N 1 0 337.380 -1.768 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)c1nccs1 ZINC001125998739 785352547 /nfs/dbraw/zinc/35/25/47/785352547.db2.gz UNNYFYQZDXRSIE-UHFFFAOYSA-N 1 0 337.405 -1.049 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001125998754 785353265 /nfs/dbraw/zinc/35/32/65/785353265.db2.gz VABKDIKEKVHJNV-UHFFFAOYSA-N 1 0 337.380 -1.838 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001125998765 785352813 /nfs/dbraw/zinc/35/28/13/785352813.db2.gz VQUORPDMAMDVGL-CYBMUJFWSA-N 1 0 346.391 -1.629 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001125998766 785353147 /nfs/dbraw/zinc/35/31/47/785353147.db2.gz VQUORPDMAMDVGL-ZDUSSCGKSA-N 1 0 346.391 -1.629 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001125998951 785354163 /nfs/dbraw/zinc/35/41/63/785354163.db2.gz WMSCAWIDWBXTMA-UHFFFAOYSA-N 1 0 348.407 -1.776 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001125998993 785353789 /nfs/dbraw/zinc/35/37/89/785353789.db2.gz WSHGCZJYIOCYTK-GFCCVEGCSA-N 1 0 346.391 -1.629 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001125998996 785354882 /nfs/dbraw/zinc/35/48/82/785354882.db2.gz WSHGCZJYIOCYTK-LBPRGKRZSA-N 1 0 346.391 -1.629 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001125999013 785354208 /nfs/dbraw/zinc/35/42/08/785354208.db2.gz WXXWDLNDMRRUAV-GFCCVEGCSA-N 1 0 326.397 -1.627 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001125999016 785355146 /nfs/dbraw/zinc/35/51/46/785355146.db2.gz WXXWDLNDMRRUAV-LBPRGKRZSA-N 1 0 326.397 -1.627 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001125999150 785353562 /nfs/dbraw/zinc/35/35/62/785353562.db2.gz YXYJETJGPVNMOB-BETUJISGSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001125999154 785354386 /nfs/dbraw/zinc/35/43/86/785354386.db2.gz YXYJETJGPVNMOB-CHWSQXEVSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001125999155 785354775 /nfs/dbraw/zinc/35/47/75/785354775.db2.gz YXYJETJGPVNMOB-STQMWFEESA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001125999159 785354653 /nfs/dbraw/zinc/35/46/53/785354653.db2.gz YZFRYOOVHZMIKB-JTQLQIEISA-N 1 0 337.380 -1.792 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001125999161 785354900 /nfs/dbraw/zinc/35/49/00/785354900.db2.gz YZFRYOOVHZMIKB-SNVBAGLBSA-N 1 0 337.380 -1.792 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001125999192 785354686 /nfs/dbraw/zinc/35/46/86/785354686.db2.gz ZLFZQHRDBAGTRL-LLVKDONJSA-N 1 0 339.396 -1.546 20 30 EAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001125999194 785354000 /nfs/dbraw/zinc/35/40/00/785354000.db2.gz ZLFZQHRDBAGTRL-NSHDSACASA-N 1 0 339.396 -1.546 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011731 785354113 /nfs/dbraw/zinc/35/41/13/785354113.db2.gz MKWRJDHKRWIVNK-JTQLQIEISA-N 1 0 327.385 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011733 785353859 /nfs/dbraw/zinc/35/38/59/785353859.db2.gz MKWRJDHKRWIVNK-SNVBAGLBSA-N 1 0 327.385 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126015855 785356676 /nfs/dbraw/zinc/35/66/76/785356676.db2.gz VLWVLGJEADKXTH-UHFFFAOYSA-N 1 0 327.385 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026714 785356690 /nfs/dbraw/zinc/35/66/90/785356690.db2.gz FUPZRSBMNOLPDF-UHFFFAOYSA-N 1 0 325.329 -2.299 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126033242 785357133 /nfs/dbraw/zinc/35/71/33/785357133.db2.gz QHMJUTQEWDJMFD-SECBINFHSA-N 1 0 339.356 -1.910 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126033243 785357411 /nfs/dbraw/zinc/35/74/11/785357411.db2.gz QHMJUTQEWDJMFD-VIFPVBQESA-N 1 0 339.356 -1.910 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093330 785360135 /nfs/dbraw/zinc/36/01/35/785360135.db2.gz CCSPQERMFGTPBN-SECBINFHSA-N 1 0 337.384 -1.278 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093331 785361192 /nfs/dbraw/zinc/36/11/92/785361192.db2.gz CCSPQERMFGTPBN-VIFPVBQESA-N 1 0 337.384 -1.278 20 30 EAEDRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001126168985 785367163 /nfs/dbraw/zinc/36/71/63/785367163.db2.gz BLOGPKOZGYOTKH-UHFFFAOYSA-N 1 0 330.388 -1.004 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126198740 785372804 /nfs/dbraw/zinc/37/28/04/785372804.db2.gz HHRCSEVZFSLCOC-BDAKNGLRSA-N 1 0 328.373 -1.851 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126198741 785372824 /nfs/dbraw/zinc/37/28/24/785372824.db2.gz HHRCSEVZFSLCOC-IUCAKERBSA-N 1 0 328.373 -1.851 20 30 EAEDRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001126204655 785373826 /nfs/dbraw/zinc/37/38/26/785373826.db2.gz TWTAOINAWBROGF-ZDUSSCGKSA-N 1 0 345.403 -1.083 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1OCCCO1 ZINC001126225462 785376628 /nfs/dbraw/zinc/37/66/28/785376628.db2.gz XNLQNVXKGVFMKZ-UHFFFAOYSA-N 1 0 328.369 -1.143 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287331 785382405 /nfs/dbraw/zinc/38/24/05/785382405.db2.gz GOSGVACPLYXVOS-UHFFFAOYSA-N 1 0 325.369 -1.818 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126287657 785382006 /nfs/dbraw/zinc/38/20/06/785382006.db2.gz OYSBKDPHCNWLRC-LLVKDONJSA-N 1 0 337.384 -1.226 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126287663 785383066 /nfs/dbraw/zinc/38/30/66/785383066.db2.gz OYSBKDPHCNWLRC-NSHDSACASA-N 1 0 337.384 -1.226 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126292154 785383588 /nfs/dbraw/zinc/38/35/88/785383588.db2.gz MMVVLEAXWPNKGE-UHFFFAOYSA-N 1 0 325.325 -1.691 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126302027 785386403 /nfs/dbraw/zinc/38/64/03/785386403.db2.gz PHQBKRAJRPHSIB-JTQLQIEISA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126302028 785386080 /nfs/dbraw/zinc/38/60/80/785386080.db2.gz PHQBKRAJRPHSIB-SNVBAGLBSA-N 1 0 339.396 -1.429 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126377683 785448190 /nfs/dbraw/zinc/44/81/90/785448190.db2.gz DMCFKHYUWVICRC-ABAIWWIYSA-N 1 0 327.381 -1.471 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001126377685 785448142 /nfs/dbraw/zinc/44/81/42/785448142.db2.gz DMCFKHYUWVICRC-IAQYHMDHSA-N 1 0 327.381 -1.471 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126377686 785448110 /nfs/dbraw/zinc/44/81/10/785448110.db2.gz DMCFKHYUWVICRC-NHYWBVRUSA-N 1 0 327.381 -1.471 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001126377688 785447850 /nfs/dbraw/zinc/44/78/50/785447850.db2.gz DMCFKHYUWVICRC-XHDPSFHLSA-N 1 0 327.381 -1.471 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001126378785 785447504 /nfs/dbraw/zinc/44/75/04/785447504.db2.gz SCVATQLSVMBVGI-INIZCTEOSA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001126378786 785447387 /nfs/dbraw/zinc/44/73/87/785447387.db2.gz SCVATQLSVMBVGI-MRXNPFEDSA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126382954 785448253 /nfs/dbraw/zinc/44/82/53/785448253.db2.gz CTDOJJGOYGOHPZ-BLLLJJGKSA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001126382956 785447911 /nfs/dbraw/zinc/44/79/11/785447911.db2.gz CTDOJJGOYGOHPZ-LRDDRELGSA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126382957 785447527 /nfs/dbraw/zinc/44/75/27/785447527.db2.gz CTDOJJGOYGOHPZ-MLGOLLRUSA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001126382960 785448063 /nfs/dbraw/zinc/44/80/63/785448063.db2.gz CTDOJJGOYGOHPZ-WBMJQRKESA-N 1 0 340.424 -1.257 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001126383098 785448198 /nfs/dbraw/zinc/44/81/98/785448198.db2.gz FDVSBVGZHCKQKC-ABAIWWIYSA-N 1 0 344.412 -1.120 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001126383100 785448106 /nfs/dbraw/zinc/44/81/06/785448106.db2.gz FDVSBVGZHCKQKC-IAQYHMDHSA-N 1 0 344.412 -1.120 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001126383101 785447585 /nfs/dbraw/zinc/44/75/85/785447585.db2.gz FDVSBVGZHCKQKC-NHYWBVRUSA-N 1 0 344.412 -1.120 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001126383103 785448369 /nfs/dbraw/zinc/44/83/69/785448369.db2.gz FDVSBVGZHCKQKC-XHDPSFHLSA-N 1 0 344.412 -1.120 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126383306 785447356 /nfs/dbraw/zinc/44/73/56/785447356.db2.gz IIRVOVJCESYIHG-ABAIWWIYSA-N 1 0 328.413 -1.388 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001126383307 785447867 /nfs/dbraw/zinc/44/78/67/785447867.db2.gz IIRVOVJCESYIHG-IAQYHMDHSA-N 1 0 328.413 -1.388 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126383308 785448131 /nfs/dbraw/zinc/44/81/31/785448131.db2.gz IIRVOVJCESYIHG-NHYWBVRUSA-N 1 0 328.413 -1.388 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001126383309 785447930 /nfs/dbraw/zinc/44/79/30/785447930.db2.gz IIRVOVJCESYIHG-XHDPSFHLSA-N 1 0 328.413 -1.388 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001126383770 785447708 /nfs/dbraw/zinc/44/77/08/785447708.db2.gz JOYTYYJZVIFVHL-INIZCTEOSA-N 1 0 340.424 -1.290 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001126383772 785449161 /nfs/dbraw/zinc/44/91/61/785449161.db2.gz JOYTYYJZVIFVHL-MRXNPFEDSA-N 1 0 340.424 -1.290 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NCCNCc1nc(CC(=O)NC)no1 ZINC001126385845 785449151 /nfs/dbraw/zinc/44/91/51/785449151.db2.gz ZCDURBZCVZCKLT-AWEZNQCLSA-N 1 0 325.369 -1.109 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NCCNCc1nc(CC(=O)NC)no1 ZINC001126385848 785448738 /nfs/dbraw/zinc/44/87/38/785448738.db2.gz ZCDURBZCVZCKLT-CQSZACIVSA-N 1 0 325.369 -1.109 20 30 EAEDRO O=C(C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1)NCC#Cc1ccccc1 ZINC001126547908 785662365 /nfs/dbraw/zinc/66/23/65/785662365.db2.gz CHOSJTHKLBOPJE-AWEZNQCLSA-N 1 0 344.371 -1.032 20 30 EAEDRO O=C(C[NH2+]CCNC(=O)[C@H]1COC(=O)N1)NCC#Cc1ccccc1 ZINC001126547909 785662466 /nfs/dbraw/zinc/66/24/66/785662466.db2.gz CHOSJTHKLBOPJE-CQSZACIVSA-N 1 0 344.371 -1.032 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126562504 785667591 /nfs/dbraw/zinc/66/75/91/785667591.db2.gz XKPYRYVGHWJULD-BDAKNGLRSA-N 1 0 327.341 -1.799 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126562505 785667959 /nfs/dbraw/zinc/66/79/59/785667959.db2.gz XKPYRYVGHWJULD-DTWKUNHWSA-N 1 0 327.341 -1.799 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126562506 785667237 /nfs/dbraw/zinc/66/72/37/785667237.db2.gz XKPYRYVGHWJULD-IUCAKERBSA-N 1 0 327.341 -1.799 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126562508 785668169 /nfs/dbraw/zinc/66/81/69/785668169.db2.gz XKPYRYVGHWJULD-RKDXNWHRSA-N 1 0 327.341 -1.799 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126689327 785769850 /nfs/dbraw/zinc/76/98/50/785769850.db2.gz WMTNDAVEVJHIFM-UHFFFAOYSA-N 1 0 326.401 -1.227 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126693061 785770115 /nfs/dbraw/zinc/77/01/15/785770115.db2.gz MTAAEONYRSBXLD-UHFFFAOYSA-N 1 0 328.373 -1.977 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126698629 785771673 /nfs/dbraw/zinc/77/16/73/785771673.db2.gz ZBXZCOAVYBDAGM-JTQLQIEISA-N 1 0 342.400 -1.588 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126698630 785771875 /nfs/dbraw/zinc/77/18/75/785771875.db2.gz ZBXZCOAVYBDAGM-SNVBAGLBSA-N 1 0 342.400 -1.588 20 30 EAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001126833883 785823168 /nfs/dbraw/zinc/82/31/68/785823168.db2.gz GUTFRAFRTBZWLP-CYBMUJFWSA-N 1 0 343.449 -1.003 20 30 EAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC001126833885 785823126 /nfs/dbraw/zinc/82/31/26/785823126.db2.gz GUTFRAFRTBZWLP-ZDUSSCGKSA-N 1 0 343.449 -1.003 20 30 EAEDRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)C#CC(C)C)cn1 ZINC001126834081 785821976 /nfs/dbraw/zinc/82/19/76/785821976.db2.gz JPLLBAJHKAHBQA-UHFFFAOYSA-N 1 0 348.407 -1.067 20 30 EAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001126834200 785823260 /nfs/dbraw/zinc/82/32/60/785823260.db2.gz MKHQHXVAGUJUPD-CYBMUJFWSA-N 1 0 343.449 -1.098 20 30 EAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001126834202 785823107 /nfs/dbraw/zinc/82/31/07/785823107.db2.gz MKHQHXVAGUJUPD-ZDUSSCGKSA-N 1 0 343.449 -1.098 20 30 EAEDRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)C#CC2CC2)cn1 ZINC001126875811 785827605 /nfs/dbraw/zinc/82/76/05/785827605.db2.gz NZOYDXHQBLMORJ-UHFFFAOYSA-N 1 0 346.391 -1.313 20 30 EAEDRO CN(C(=O)C[NH2+]CCNC(=O)C#CC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001126886117 785826360 /nfs/dbraw/zinc/82/63/60/785826360.db2.gz OWTJITJIJCGGMX-CYBMUJFWSA-N 1 0 341.433 -1.249 20 30 EAEDRO CN(C(=O)C[NH2+]CCNC(=O)C#CC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001126886119 785827072 /nfs/dbraw/zinc/82/70/72/785827072.db2.gz OWTJITJIJCGGMX-ZDUSSCGKSA-N 1 0 341.433 -1.249 20 30 EAEDRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)C#CC2CC2)cn1 ZINC001126886531 785826028 /nfs/dbraw/zinc/82/60/28/785826028.db2.gz WBPAPXQEVUOFHX-UHFFFAOYSA-N 1 0 339.421 -1.182 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001126904334 785828793 /nfs/dbraw/zinc/82/87/93/785828793.db2.gz UTBGCCCESSZLDC-CYBMUJFWSA-N 1 0 341.433 -1.344 20 30 EAEDRO O=C(C#CC1CC1)NCC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001126904335 785828646 /nfs/dbraw/zinc/82/86/46/785828646.db2.gz UTBGCCCESSZLDC-ZDUSSCGKSA-N 1 0 341.433 -1.344 20 30 EAEDRO 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345.403 -1.211 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799755 786220534 /nfs/dbraw/zinc/22/05/34/786220534.db2.gz HNIAJHJZDJWIDC-SECBINFHSA-N 1 0 328.373 -1.979 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128799756 786220254 /nfs/dbraw/zinc/22/02/54/786220254.db2.gz HNIAJHJZDJWIDC-VIFPVBQESA-N 1 0 328.373 -1.979 20 30 EAEDRO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128811699 786220885 /nfs/dbraw/zinc/22/08/85/786220885.db2.gz AIWIXURANPBYET-MCIONIFRSA-N 1 0 339.396 -1.171 20 30 EAEDRO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128811700 786220469 /nfs/dbraw/zinc/22/04/69/786220469.db2.gz AIWIXURANPBYET-MJBXVCDLSA-N 1 0 339.396 -1.171 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128823403 786222612 /nfs/dbraw/zinc/22/26/12/786222612.db2.gz GAAHCOOIGMILKR-LLVKDONJSA-N 1 0 332.426 -1.582 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128823404 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C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 ZINC001129228288 786261996 /nfs/dbraw/zinc/26/19/96/786261996.db2.gz LSGPTBIWSDPXOC-OLZOCXBDSA-N 1 0 348.411 -1.789 20 30 EAEDRO C#CCNC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228354 786262264 /nfs/dbraw/zinc/26/22/64/786262264.db2.gz OTOCYLWUSUKZNH-KGLIPLIRSA-N 1 0 347.423 -1.679 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129263245 786263821 /nfs/dbraw/zinc/26/38/21/786263821.db2.gz WFHJDHQTTWKHPL-LLVKDONJSA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129263248 786264089 /nfs/dbraw/zinc/26/40/89/786264089.db2.gz WFHJDHQTTWKHPL-NSHDSACASA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271734 786263221 /nfs/dbraw/zinc/26/32/21/786263221.db2.gz LMPKUYMNTOCNCD-RQJABVFESA-N 1 0 348.407 -1.056 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c(C)nnn1CC ZINC001129284644 786282879 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EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129304588 786285448 /nfs/dbraw/zinc/28/54/48/786285448.db2.gz QIQWTVVZONMGRL-WDEREUQCSA-N 1 0 339.396 -1.381 20 30 EAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342517 786534389 /nfs/dbraw/zinc/53/43/89/786534389.db2.gz PDUPWUUOLRMNJT-OLZOCXBDSA-N 1 0 329.368 -1.280 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129346777 786550417 /nfs/dbraw/zinc/55/04/17/786550417.db2.gz GSXQJDWVLVTSQT-NEPJUHHUSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129346783 786550746 /nfs/dbraw/zinc/55/07/46/786550746.db2.gz GSXQJDWVLVTSQT-NWDGAFQWSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129346784 786550280 /nfs/dbraw/zinc/55/02/80/786550280.db2.gz GSXQJDWVLVTSQT-RYUDHWBXSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129346785 786550295 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EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129387678 786598812 /nfs/dbraw/zinc/59/88/12/786598812.db2.gz XZYOCIKQMLHVNS-ZIAGYGMSSA-N 1 0 334.424 -1.343 20 30 EAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445301 786839998 /nfs/dbraw/zinc/83/99/98/786839998.db2.gz HMSNSMCPCSHDFW-NEPJUHHUSA-N 1 0 342.425 -1.255 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129496302 786845479 /nfs/dbraw/zinc/84/54/79/786845479.db2.gz KFNHUSMEOURPBJ-UPJWGTAASA-N 1 0 334.380 -1.596 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129496303 786844778 /nfs/dbraw/zinc/84/47/78/786844778.db2.gz KFNHUSMEOURPBJ-XQQFMLRXSA-N 1 0 334.380 -1.596 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129496327 786846657 /nfs/dbraw/zinc/84/66/57/786846657.db2.gz LJJSDCGUUZGZTL-UPJWGTAASA-N 1 0 336.396 -1.043 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129496328 786846429 /nfs/dbraw/zinc/84/64/29/786846429.db2.gz LJJSDCGUUZGZTL-XQQFMLRXSA-N 1 0 336.396 -1.043 20 30 EAEDRO Cc1csc(=O)n1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129496404 786846182 /nfs/dbraw/zinc/84/61/82/786846182.db2.gz CFPHGKUWRMZPSB-UHFFFAOYSA-N 1 0 325.394 -1.046 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001129502710 786842721 /nfs/dbraw/zinc/84/27/21/786842721.db2.gz DDYMNCOERSUOTM-ZJUUUORDSA-N 1 0 326.307 -1.366 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129505593 786844208 /nfs/dbraw/zinc/84/42/08/786844208.db2.gz BAJGGPYWDHKIRX-OLZOCXBDSA-N 1 0 334.380 -1.595 20 30 EAEDRO COCCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129505690 786843063 /nfs/dbraw/zinc/84/30/63/786843063.db2.gz BYXQLEUREVKKMH-NEPJUHHUSA-N 1 0 335.368 -1.704 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129505870 786843634 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20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129525902 786845955 /nfs/dbraw/zinc/84/59/55/786845955.db2.gz UJYIEQIRBKDLTC-NEPJUHHUSA-N 1 0 335.368 -1.349 20 30 EAEDRO CC(F)(F)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129526020 786845902 /nfs/dbraw/zinc/84/59/02/786845902.db2.gz WPBAPDHOTCRSCE-ZJUUUORDSA-N 1 0 341.322 -1.085 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129536374 786849841 /nfs/dbraw/zinc/84/98/41/786849841.db2.gz ACKXUVPGZPRBOA-KGLIPLIRSA-N 1 0 334.380 -1.595 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129536477 786850219 /nfs/dbraw/zinc/85/02/19/786850219.db2.gz CGOFTUWPICHTHR-KGLIPLIRSA-N 1 0 336.396 -1.042 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129537511 786852556 /nfs/dbraw/zinc/85/25/56/786852556.db2.gz XZTMIOFEWSWTCQ-OLZOCXBDSA-N 1 0 347.379 -2.495 20 30 EAEDRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 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C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129617859 786857609 /nfs/dbraw/zinc/85/76/09/786857609.db2.gz IPYMMFQGFHBLCM-OLZOCXBDSA-N 1 0 343.347 -1.329 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129617864 786858230 /nfs/dbraw/zinc/85/82/30/786858230.db2.gz IVQBONLRDPCLGT-NEPJUHHUSA-N 1 0 344.335 -1.439 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@@H]1n1ccnn1 ZINC001129618321 786858845 /nfs/dbraw/zinc/85/88/45/786858845.db2.gz RWVCOEKRHADOPB-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC)C[C@@H]1n1ccnn1 ZINC001129618322 786858296 /nfs/dbraw/zinc/85/82/96/786858296.db2.gz RWVCOEKRHADOPB-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129618548 786858093 /nfs/dbraw/zinc/85/80/93/786858093.db2.gz TXYJCCMBZBEMAQ-UPJWGTAASA-N 1 0 349.395 -1.316 20 30 EAEDRO CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129618549 786857658 /nfs/dbraw/zinc/85/76/58/786857658.db2.gz TXYJCCMBZBEMAQ-XQQFMLRXSA-N 1 0 349.395 -1.316 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001129620444 786858342 /nfs/dbraw/zinc/85/83/42/786858342.db2.gz UDKQHGBTQVPJRQ-UHFFFAOYSA-N 1 0 331.332 -1.023 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001129640527 786859284 /nfs/dbraw/zinc/85/92/84/786859284.db2.gz ONMMZSUKUKXGFB-CYBMUJFWSA-N 1 0 329.360 -1.141 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001129640532 786859813 /nfs/dbraw/zinc/85/98/13/786859813.db2.gz ONMMZSUKUKXGFB-ZDUSSCGKSA-N 1 0 329.360 -1.141 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001129640797 786859771 /nfs/dbraw/zinc/85/97/71/786859771.db2.gz VQSYVRSPTOCYJP-AWEZNQCLSA-N 1 0 328.372 -1.031 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001129640798 786859102 /nfs/dbraw/zinc/85/91/02/786859102.db2.gz VQSYVRSPTOCYJP-CQSZACIVSA-N 1 0 328.372 -1.031 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129645013 786859122 /nfs/dbraw/zinc/85/91/22/786859122.db2.gz DNNHNJYSNBYKCK-UPJWGTAASA-N 1 0 336.396 -1.043 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129645015 786859387 /nfs/dbraw/zinc/85/93/87/786859387.db2.gz DNNHNJYSNBYKCK-XQQFMLRXSA-N 1 0 336.396 -1.043 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129645941 786859621 /nfs/dbraw/zinc/85/96/21/786859621.db2.gz HTRQDAFKAIQQHI-UPJWGTAASA-N 1 0 334.380 -1.596 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129645943 786860007 /nfs/dbraw/zinc/86/00/07/786860007.db2.gz HTRQDAFKAIQQHI-XQQFMLRXSA-N 1 0 334.380 -1.596 20 30 EAEDRO CO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129648098 786859140 /nfs/dbraw/zinc/85/91/40/786859140.db2.gz ZXTGXNKKEQJWDM-TUAOUCFPSA-N 1 0 335.368 -1.706 20 30 EAEDRO CO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129648099 786860903 /nfs/dbraw/zinc/86/09/03/786860903.db2.gz ZXTGXNKKEQJWDM-UTUOFQBUSA-N 1 0 335.368 -1.706 20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129649942 786860526 /nfs/dbraw/zinc/86/05/26/786860526.db2.gz AKSSKASOIDWEBS-NEPJUHHUSA-N 1 0 325.394 -1.313 20 30 EAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129650852 786859233 /nfs/dbraw/zinc/85/92/33/786859233.db2.gz LKYYXGAOQDFZNH-NEPJUHHUSA-N 1 0 325.394 -1.313 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129655991 786861847 /nfs/dbraw/zinc/86/18/47/786861847.db2.gz JSDNEXZFSPWSPV-UPJWGTAASA-N 1 0 347.379 -1.704 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129655993 786861743 /nfs/dbraw/zinc/86/17/43/786861743.db2.gz JSDNEXZFSPWSPV-XQQFMLRXSA-N 1 0 347.379 -1.704 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCCC)C[C@@H]1n1ccnn1 ZINC001129656298 786862214 /nfs/dbraw/zinc/86/22/14/786862214.db2.gz OEAIAVMCFWPVAM-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656519 786862973 /nfs/dbraw/zinc/86/29/73/786862973.db2.gz QVPPFLOAFHBPAY-MCIONIFRSA-N 1 0 346.391 -1.595 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656527 786863306 /nfs/dbraw/zinc/86/33/06/786863306.db2.gz QVPPFLOAFHBPAY-MJBXVCDLSA-N 1 0 346.391 -1.595 20 30 EAEDRO CCCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129656578 786861802 /nfs/dbraw/zinc/86/18/02/786861802.db2.gz SCJAFVMAOBRWPG-OLZOCXBDSA-N 1 0 349.395 -1.314 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129656805 786861465 /nfs/dbraw/zinc/86/14/65/786861465.db2.gz VKCIABCIWPVKAX-HZSPNIEDSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001129656806 786862303 /nfs/dbraw/zinc/86/23/03/786862303.db2.gz VKCIABCIWPVKAX-RDBSUJKOSA-N 1 0 348.407 -1.206 20 30 EAEDRO CC[C@H](OC)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129656839 786862364 /nfs/dbraw/zinc/86/23/64/786862364.db2.gz WFONQWHARRGMRZ-AGIUHOORSA-N 1 0 349.395 -1.316 20 30 EAEDRO CC[C@@H](OC)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129656840 786862725 /nfs/dbraw/zinc/86/27/25/786862725.db2.gz WFONQWHARRGMRZ-FRRDWIJNSA-N 1 0 349.395 -1.316 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656842 786863332 /nfs/dbraw/zinc/86/33/32/786863332.db2.gz WHRMUTVQVVLCLW-MCIONIFRSA-N 1 0 348.407 -1.042 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129656844 786862791 /nfs/dbraw/zinc/86/27/91/786862791.db2.gz WHRMUTVQVVLCLW-MJBXVCDLSA-N 1 0 348.407 -1.042 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129659592 786860726 /nfs/dbraw/zinc/86/07/26/786860726.db2.gz MPSCTDUIXPVHST-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129659593 786860339 /nfs/dbraw/zinc/86/03/39/786860339.db2.gz MPSCTDUIXPVHST-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCOC)C[C@@H]1n1ccnn1 ZINC001129663990 786860031 /nfs/dbraw/zinc/86/00/31/786860031.db2.gz CJOYQCPVCDJDMW-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO COCCCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129664434 786860699 /nfs/dbraw/zinc/86/06/99/786860699.db2.gz JKWRDYMAKHPUHS-OLZOCXBDSA-N 1 0 349.395 -1.314 20 30 EAEDRO CC(C)OCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129664937 786859532 /nfs/dbraw/zinc/85/95/32/786859532.db2.gz XNALKHVLGZDEBX-OLZOCXBDSA-N 1 0 349.395 -1.316 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC(C)C)C[C@@H]1n1ccnn1 ZINC001129664973 786859853 /nfs/dbraw/zinc/85/98/53/786859853.db2.gz ZEOFRGBZKKRYIU-KGLIPLIRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129666562 786860088 /nfs/dbraw/zinc/86/00/88/786860088.db2.gz BIJSCBHYGBBHRW-MNOVXSKESA-N 1 0 335.368 -1.219 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129670925 786859872 /nfs/dbraw/zinc/85/98/72/786859872.db2.gz AKXWFBGRGPDOIQ-PWSUYJOCSA-N 1 0 344.335 -1.439 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129670935 786859508 /nfs/dbraw/zinc/85/95/08/786859508.db2.gz BDKCIKHYBMZDKL-MCIONIFRSA-N 1 0 346.391 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001129670938 786860110 /nfs/dbraw/zinc/86/01/10/786860110.db2.gz BFYWADOZRREUOR-YPMHNXCESA-N 1 0 343.347 -1.329 20 30 EAEDRO CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129675288 786863715 /nfs/dbraw/zinc/86/37/15/786863715.db2.gz LCHGKYRFBZTNNS-OLZOCXBDSA-N 1 0 349.395 -1.314 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC)C[C@@H]1n1ccnn1 ZINC001129675518 786865079 /nfs/dbraw/zinc/86/50/79/786865079.db2.gz PQHYCAZNDXIBEW-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO CO[C@H](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129675637 786865150 /nfs/dbraw/zinc/86/51/50/786865150.db2.gz VICAQAOTZIUXJF-UPJWGTAASA-N 1 0 349.395 -1.316 20 30 EAEDRO CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129675638 786864334 /nfs/dbraw/zinc/86/43/34/786864334.db2.gz VICAQAOTZIUXJF-XQQFMLRXSA-N 1 0 349.395 -1.316 20 30 EAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129677216 786864628 /nfs/dbraw/zinc/86/46/28/786864628.db2.gz AQVDYXQGZYCHAF-TUAOUCFPSA-N 1 0 340.409 -1.176 20 30 EAEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129677217 786864272 /nfs/dbraw/zinc/86/42/72/786864272.db2.gz AQVDYXQGZYCHAF-UTUOFQBUSA-N 1 0 340.409 -1.176 20 30 EAEDRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129677375 786864473 /nfs/dbraw/zinc/86/44/73/786864473.db2.gz GKKIWKNFBKSZJI-AXFHLTTASA-N 1 0 348.367 -1.765 20 30 EAEDRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129677380 786865567 /nfs/dbraw/zinc/86/55/67/786865567.db2.gz GKKIWKNFBKSZJI-MXWKQRLJSA-N 1 0 348.367 -1.765 20 30 EAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129677480 786864352 /nfs/dbraw/zinc/86/43/52/786864352.db2.gz IBQPSEYWBNIXMK-AEJSXWLSSA-N 1 0 334.340 -2.026 20 30 EAEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129677481 786864078 /nfs/dbraw/zinc/86/40/78/786864078.db2.gz IBQPSEYWBNIXMK-BBBLOLIVSA-N 1 0 334.340 -2.026 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129677623 786863949 /nfs/dbraw/zinc/86/39/49/786863949.db2.gz JOINFLVWWTUTEG-UPJWGTAASA-N 1 0 329.364 -1.471 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129677624 786864167 /nfs/dbraw/zinc/86/41/67/786864167.db2.gz JOINFLVWWTUTEG-XQQFMLRXSA-N 1 0 329.364 -1.471 20 30 EAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129677749 786865129 /nfs/dbraw/zinc/86/51/29/786865129.db2.gz MZHYELIQRRPCCT-TUAOUCFPSA-N 1 0 330.352 -1.581 20 30 EAEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129677752 786865471 /nfs/dbraw/zinc/86/54/71/786865471.db2.gz MZHYELIQRRPCCT-UTUOFQBUSA-N 1 0 330.352 -1.581 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129678174 786864039 /nfs/dbraw/zinc/86/40/39/786864039.db2.gz YMEQMWIQPLPQSI-OLZOCXBDSA-N 1 0 347.379 -1.538 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129680885 786861489 /nfs/dbraw/zinc/86/14/89/786861489.db2.gz FPEZCFBTUQPHMF-OLZOCXBDSA-N 1 0 336.396 -1.042 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129680916 786862618 /nfs/dbraw/zinc/86/26/18/786862618.db2.gz GKRDPHVYGUEGGX-KGLIPLIRSA-N 1 0 339.396 -1.169 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129681197 786862864 /nfs/dbraw/zinc/86/28/64/786862864.db2.gz KWBHEYQCGDVVQL-UPJWGTAASA-N 1 0 336.396 -1.043 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129681199 786862348 /nfs/dbraw/zinc/86/23/48/786862348.db2.gz KWBHEYQCGDVVQL-XQQFMLRXSA-N 1 0 336.396 -1.043 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129681266 786862240 /nfs/dbraw/zinc/86/22/40/786862240.db2.gz MOPHULGHHVOYTN-MCIONIFRSA-N 1 0 339.396 -1.171 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001129681267 786862566 /nfs/dbraw/zinc/86/25/66/786862566.db2.gz MOPHULGHHVOYTN-MJBXVCDLSA-N 1 0 339.396 -1.171 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681356 786861325 /nfs/dbraw/zinc/86/13/25/786861325.db2.gz PDNNDHBGMHTFNU-MCIONIFRSA-N 1 0 348.407 -1.349 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129681360 786861959 /nfs/dbraw/zinc/86/19/59/786861959.db2.gz PDNNDHBGMHTFNU-MJBXVCDLSA-N 1 0 348.407 -1.349 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129681411 786862844 /nfs/dbraw/zinc/86/28/44/786862844.db2.gz QRNFIUQLKTYFEL-OLZOCXBDSA-N 1 0 336.396 -1.090 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129681516 786861390 /nfs/dbraw/zinc/86/13/90/786861390.db2.gz SEYUQMHRKSYLPT-UPJWGTAASA-N 1 0 334.380 -1.289 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129681517 786863359 /nfs/dbraw/zinc/86/33/59/786863359.db2.gz SEYUQMHRKSYLPT-XQQFMLRXSA-N 1 0 334.380 -1.289 20 30 EAEDRO COC[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129681550 786862514 /nfs/dbraw/zinc/86/25/14/786862514.db2.gz 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20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC#C)C[C@@H]1n1ccnn1 ZINC001129774612 786872573 /nfs/dbraw/zinc/87/25/73/786872573.db2.gz NWJLZVVHEKAHRD-KGLIPLIRSA-N 1 0 328.376 -1.218 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1 ZINC001129774669 786873737 /nfs/dbraw/zinc/87/37/37/786873737.db2.gz OBEJYQIOMSTDAQ-KGLIPLIRSA-N 1 0 328.376 -1.218 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129774747 786872648 /nfs/dbraw/zinc/87/26/48/786872648.db2.gz PSFXBSDYRJIESX-NEPJUHHUSA-N 1 0 347.379 -2.495 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001129774961 786873714 /nfs/dbraw/zinc/87/37/14/786873714.db2.gz RSXNKLTWRXDGNA-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129775293 786873564 /nfs/dbraw/zinc/87/35/64/786873564.db2.gz WPQSRTLVRWXRHB-UPJWGTAASA-N 1 0 334.380 -1.860 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129775298 786872836 /nfs/dbraw/zinc/87/28/36/786872836.db2.gz WPQSRTLVRWXRHB-XQQFMLRXSA-N 1 0 334.380 -1.860 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129775403 786872824 /nfs/dbraw/zinc/87/28/24/786872824.db2.gz ZZXXPIXTTYIDNZ-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782096 786873532 /nfs/dbraw/zinc/87/35/32/786873532.db2.gz FKDYERHMQZEDFH-XQQFMLRXSA-N 1 0 349.395 -1.674 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129789085 786870388 /nfs/dbraw/zinc/87/03/88/786870388.db2.gz UBWKFRXGQJDNIX-TYNCELHUSA-N 1 0 336.396 -1.307 20 30 EAEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129789089 786870621 /nfs/dbraw/zinc/87/06/21/786870621.db2.gz UBWKFRXGQJDNIX-XUJVJEKNSA-N 1 0 336.396 -1.307 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129790756 786870482 /nfs/dbraw/zinc/87/04/82/786870482.db2.gz HNVMLWZOMSGSPR-AWEZNQCLSA-N 1 0 347.419 -1.613 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129790815 786871375 /nfs/dbraw/zinc/87/13/75/786871375.db2.gz JADUGPOBVHOFMK-CABCVRRESA-N 1 0 336.436 -1.058 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129790816 786871011 /nfs/dbraw/zinc/87/10/11/786871011.db2.gz JADUGPOBVHOFMK-GJZGRUSLSA-N 1 0 336.436 -1.058 20 30 EAEDRO CC(C)(O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129791457 786871218 /nfs/dbraw/zinc/87/12/18/786871218.db2.gz FLQHXZQHQZWXAZ-NEPJUHHUSA-N 1 0 349.395 -1.580 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 ZINC001129791631 786870655 /nfs/dbraw/zinc/87/06/55/786870655.db2.gz MXCRHNGUFRBBPU-OCCSQVGLSA-N 1 0 344.379 -1.288 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001129792126 786871155 /nfs/dbraw/zinc/87/11/55/786871155.db2.gz YMVMKCXLKPZKDG-OLZOCXBDSA-N 1 0 348.407 -1.470 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795068 786871342 /nfs/dbraw/zinc/87/13/42/786871342.db2.gz AKJOPUXLCGQXDJ-AGIUHOORSA-N 1 0 348.363 -1.622 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129795069 786870458 /nfs/dbraw/zinc/87/04/58/786870458.db2.gz AKJOPUXLCGQXDJ-UPJWGTAASA-N 1 0 348.363 -1.622 20 30 EAEDRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129795462 786871507 /nfs/dbraw/zinc/87/15/07/786871507.db2.gz JQGFGFPYJBQMKE-MBNYWOFBSA-N 1 0 349.395 -1.724 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129795826 786871691 /nfs/dbraw/zinc/87/16/91/786871691.db2.gz QLOONWVXTQMYNU-VNHYZAJKSA-N 1 0 348.407 -1.614 20 30 EAEDRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001129798141 786873186 /nfs/dbraw/zinc/87/31/86/786873186.db2.gz OOLOCHVBTIGIGY-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802524 786877602 /nfs/dbraw/zinc/87/76/02/786877602.db2.gz JTLGUHMDTLXWOT-JQWIXIFHSA-N 1 0 328.369 -1.492 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 ZINC001129803621 786875550 /nfs/dbraw/zinc/87/55/50/786875550.db2.gz VAFGTQKFUWYPRM-OCCSQVGLSA-N 1 0 344.379 -1.288 20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129807316 786874976 /nfs/dbraw/zinc/87/49/76/786874976.db2.gz ICTDSXXQBBEPLF-OLZOCXBDSA-N 1 0 333.396 -1.038 20 30 EAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129807633 786874953 /nfs/dbraw/zinc/87/49/53/786874953.db2.gz PJLQNUSYHVZPLT-OLZOCXBDSA-N 1 0 333.396 -1.038 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810158 786876037 /nfs/dbraw/zinc/87/60/37/786876037.db2.gz QOFAQLNCMDTSRA-UHFFFAOYSA-N 1 0 334.380 -1.138 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810422 786874982 /nfs/dbraw/zinc/87/49/82/786874982.db2.gz VVVAOBBJZIPRBT-SRVKXCTJSA-N 1 0 342.396 -1.104 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810423 786875773 /nfs/dbraw/zinc/87/57/73/786875773.db2.gz VVVAOBBJZIPRBT-WOPDTQHZSA-N 1 0 342.396 -1.104 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 ZINC001129811622 786874702 /nfs/dbraw/zinc/87/47/02/786874702.db2.gz KPACOLJESDHJQF-OLZOCXBDSA-N 1 0 344.379 -1.288 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813954 786875971 /nfs/dbraw/zinc/87/59/71/786875971.db2.gz JPICKNPLCXWWMK-UHFFFAOYSA-N 1 0 336.352 -1.889 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816453 786875658 /nfs/dbraw/zinc/87/56/58/786875658.db2.gz AVYAEYHFXPVVBR-NEPJUHHUSA-N 1 0 342.363 -1.594 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001129816501 786875425 /nfs/dbraw/zinc/87/54/25/786875425.db2.gz CLHOWGBKSBVSPH-KGLIPLIRSA-N 1 0 341.375 -1.327 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001129816679 786876642 /nfs/dbraw/zinc/87/66/42/786876642.db2.gz HKDCMMZAUYWVRM-CABCVRRESA-N 1 0 340.387 -1.218 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129816977 786876988 /nfs/dbraw/zinc/87/69/88/786876988.db2.gz PZJIGCAPZFFKNR-MNOVXSKESA-N 1 0 343.351 -1.704 20 30 EAEDRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001129817129 786876753 /nfs/dbraw/zinc/87/67/53/786876753.db2.gz RYJBWAFBOHDBRX-NEPJUHHUSA-N 1 0 345.363 -1.772 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129817351 786876531 /nfs/dbraw/zinc/87/65/31/786876531.db2.gz XWVUAGDZYDTXCQ-NEPJUHHUSA-N 1 0 344.379 -1.041 20 30 EAEDRO CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129822107 786876620 /nfs/dbraw/zinc/87/66/20/786876620.db2.gz FTEGEWXSHQZTGL-NEPJUHHUSA-N 1 0 347.379 -1.526 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129829219 786877579 /nfs/dbraw/zinc/87/75/79/786877579.db2.gz AZZAKHHNKRADOO-MCIONIFRSA-N 1 0 348.407 -1.254 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129829220 786877457 /nfs/dbraw/zinc/87/74/57/786877457.db2.gz AZZAKHHNKRADOO-MJBXVCDLSA-N 1 0 348.407 -1.254 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129829261 786876797 /nfs/dbraw/zinc/87/67/97/786876797.db2.gz CSZKNJULLOKRFL-UPJWGTAASA-N 1 0 334.380 -1.596 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129829262 786877396 /nfs/dbraw/zinc/87/73/96/786877396.db2.gz CSZKNJULLOKRFL-XQQFMLRXSA-N 1 0 334.380 -1.596 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129830004 786878180 /nfs/dbraw/zinc/87/81/80/786878180.db2.gz RWERSLGKGSSOFG-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129830005 786878291 /nfs/dbraw/zinc/87/82/91/786878291.db2.gz RWERSLGKGSSOFG-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129830217 786878275 /nfs/dbraw/zinc/87/82/75/786878275.db2.gz YACLDQBSJKLINT-NEPJUHHUSA-N 1 0 347.379 -1.382 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129837286 786879644 /nfs/dbraw/zinc/87/96/44/786879644.db2.gz AFGQIWDXJISAEF-MCIONIFRSA-N 1 0 346.391 -1.452 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129837287 786878966 /nfs/dbraw/zinc/87/89/66/786878966.db2.gz AFGQIWDXJISAEF-MJBXVCDLSA-N 1 0 346.391 -1.452 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129837407 786879424 /nfs/dbraw/zinc/87/94/24/786879424.db2.gz DFACZQJCVXDQBJ-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129837408 786879464 /nfs/dbraw/zinc/87/94/64/786879464.db2.gz DFACZQJCVXDQBJ-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129837807 786879563 /nfs/dbraw/zinc/87/95/63/786879563.db2.gz MLDLEHFBVPLXGP-MCIONIFRSA-N 1 0 348.407 -1.077 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129837809 786878952 /nfs/dbraw/zinc/87/89/52/786878952.db2.gz MLDLEHFBVPLXGP-MJBXVCDLSA-N 1 0 348.407 -1.077 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129837817 786879667 /nfs/dbraw/zinc/87/96/67/786879667.db2.gz MSBLBFIYYCGQPU-UPJWGTAASA-N 1 0 334.380 -1.467 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129837824 786880291 /nfs/dbraw/zinc/88/02/91/786880291.db2.gz MSBLBFIYYCGQPU-XQQFMLRXSA-N 1 0 334.380 -1.467 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129838045 786879795 /nfs/dbraw/zinc/87/97/95/786879795.db2.gz PZKGDDVUMGRPEC-KGLIPLIRSA-N 1 0 348.407 -1.252 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129838060 786879010 /nfs/dbraw/zinc/87/90/10/786879010.db2.gz QCSSFUFZJPUYMF-OLZOCXBDSA-N 1 0 334.380 -1.595 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001129844505 786878022 /nfs/dbraw/zinc/87/80/22/786878022.db2.gz FVSFKRBXUVVCPD-NEPJUHHUSA-N 1 0 340.409 -1.808 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129844657 786876832 /nfs/dbraw/zinc/87/68/32/786876832.db2.gz HKWHMVVZCXAVIJ-KGLIPLIRSA-N 1 0 348.407 -1.204 20 30 EAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1n1ccnn1 ZINC001129845198 786878089 /nfs/dbraw/zinc/87/80/89/786878089.db2.gz OQJIRUJYQFRCOB-NEPJUHHUSA-N 1 0 342.425 -1.255 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855558 786877258 /nfs/dbraw/zinc/87/72/58/786877258.db2.gz MUSUOWSDTDDBAB-OLZOCXBDSA-N 1 0 345.367 -2.044 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 ZINC001129855952 786879539 /nfs/dbraw/zinc/87/95/39/786879539.db2.gz SBCUYXOXKRBGKY-OLZOCXBDSA-N 1 0 347.383 -1.491 20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129864067 786879444 /nfs/dbraw/zinc/87/94/44/786879444.db2.gz ORLDJNLIPNSMHL-OLZOCXBDSA-N 1 0 337.405 -1.313 20 30 EAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001129864356 786880242 /nfs/dbraw/zinc/88/02/42/786880242.db2.gz WZFRQXXVGDWSOO-OLZOCXBDSA-N 1 0 337.405 -1.313 20 30 EAEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129866610 786878138 /nfs/dbraw/zinc/87/81/38/786878138.db2.gz FLIUAPKQWLNCPB-UPJWGTAASA-N 1 0 336.396 -1.043 20 30 EAEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129866612 786876732 /nfs/dbraw/zinc/87/67/32/786876732.db2.gz FLIUAPKQWLNCPB-XQQFMLRXSA-N 1 0 336.396 -1.043 20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129866888 786880734 /nfs/dbraw/zinc/88/07/34/786880734.db2.gz JZTKZDOCQZCEHK-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129866889 786881018 /nfs/dbraw/zinc/88/10/18/786881018.db2.gz JZTKZDOCQZCEHK-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129867621 786882342 /nfs/dbraw/zinc/88/23/42/786882342.db2.gz UWEQYAMSJMUNRR-MCIONIFRSA-N 1 0 348.407 -1.206 20 30 EAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129867622 786882486 /nfs/dbraw/zinc/88/24/86/786882486.db2.gz UWEQYAMSJMUNRR-MJBXVCDLSA-N 1 0 348.407 -1.206 20 30 EAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1n1ccnn1 ZINC001129867842 786882042 /nfs/dbraw/zinc/88/20/42/786882042.db2.gz YTIGXBFDZVFUTJ-UPJWGTAASA-N 1 0 334.380 -1.596 20 30 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786915468 /nfs/dbraw/zinc/91/54/68/786915468.db2.gz SRXBDPSBKYXYJP-UWVGGRQHSA-N 1 0 337.384 -1.263 20 30 EAEDRO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130183179 786915108 /nfs/dbraw/zinc/91/51/08/786915108.db2.gz UPBAWWYNLADCKB-QWRGUYRKSA-N 1 0 349.395 -1.425 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2COCCO2)n1 ZINC001130184889 786915398 /nfs/dbraw/zinc/91/53/98/786915398.db2.gz LOPBHWRSEJRNQS-AVGNSLFASA-N 1 0 349.391 -1.068 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2COCCO2)n1 ZINC001130184890 786916586 /nfs/dbraw/zinc/91/65/86/786916586.db2.gz LOPBHWRSEJRNQS-RWMBFGLXSA-N 1 0 349.391 -1.068 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cnnn2)n1 ZINC001130187774 786915217 /nfs/dbraw/zinc/91/52/17/786915217.db2.gz ISOHZKUHOVYMEQ-QWRGUYRKSA-N 1 0 345.367 -1.797 20 30 EAEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cnnn2)[nH]1 ZINC001130188040 786915011 /nfs/dbraw/zinc/91/50/11/786915011.db2.gz WGONRKFMSJIDCD-QWRGUYRKSA-N 1 0 347.383 -1.244 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CN(C)C(C)=O)n1 ZINC001130190935 786916192 /nfs/dbraw/zinc/91/61/92/786916192.db2.gz VMVJLPJVYKUBPA-STQMWFEESA-N 1 0 348.407 -1.006 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001130196122 786915822 /nfs/dbraw/zinc/91/58/22/786915822.db2.gz STDHZRFGGFDGTE-TUAOUCFPSA-N 1 0 346.391 -1.205 20 30 EAEDRO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198353 786916897 /nfs/dbraw/zinc/91/68/97/786916897.db2.gz HLDHIKZQNAHFPM-QWRGUYRKSA-N 1 0 334.380 -1.218 20 30 EAEDRO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130198644 786915503 /nfs/dbraw/zinc/91/55/03/786915503.db2.gz SKCXIBVMGZHVBK-QWRGUYRKSA-N 1 0 334.380 -1.218 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200878 786917973 /nfs/dbraw/zinc/91/79/73/786917973.db2.gz PDAXKMXTNPFZLZ-HNNXBMFYSA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200881 786918429 /nfs/dbraw/zinc/91/84/29/786918429.db2.gz PDAXKMXTNPFZLZ-OAHLLOKOSA-N 1 0 339.396 -1.380 20 30 EAEDRO C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n[nH]1 ZINC001130202634 786918823 /nfs/dbraw/zinc/91/88/23/786918823.db2.gz FWMIDQUCAUUQIB-GUBZILKMSA-N 1 0 335.368 -1.472 20 30 EAEDRO C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n[nH]1 ZINC001130202636 786918212 /nfs/dbraw/zinc/91/82/12/786918212.db2.gz FWMIDQUCAUUQIB-UTLUCORTSA-N 1 0 335.368 -1.472 20 30 EAEDRO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130203351 786916440 /nfs/dbraw/zinc/91/64/40/786916440.db2.gz ZKRZDPLPQPSCKN-DCAQKATOSA-N 1 0 349.395 -1.211 20 30 EAEDRO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130203358 786915351 /nfs/dbraw/zinc/91/53/51/786915351.db2.gz ZKRZDPLPQPSCKN-VWYCJHECSA-N 1 0 349.395 -1.211 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)NC(N)=O)n1 ZINC001130204633 786915478 /nfs/dbraw/zinc/91/54/78/786915478.db2.gz AJBBDZAIVIWJFM-DCAQKATOSA-N 1 0 349.395 -1.427 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 ZINC001130205202 786915418 /nfs/dbraw/zinc/91/54/18/786915418.db2.gz UOLVCOSORBIHMJ-QWRGUYRKSA-N 1 0 334.380 -1.348 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001130207749 786918772 /nfs/dbraw/zinc/91/87/72/786918772.db2.gz NXGGYWIPWHJHRK-AXFHLTTASA-N 1 0 348.363 -1.375 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001130207750 786918569 /nfs/dbraw/zinc/91/85/69/786918569.db2.gz NXGGYWIPWHJHRK-DCAQKATOSA-N 1 0 348.363 -1.375 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnnn2C)n1 ZINC001130207886 786918334 /nfs/dbraw/zinc/91/83/34/786918334.db2.gz UQSHFWITDRPRFR-JQWIXIFHSA-N 1 0 344.379 -1.042 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ncnn2)n1 ZINC001130209488 786919085 /nfs/dbraw/zinc/91/90/85/786919085.db2.gz CNRJDCZUHMOMCJ-QWRGUYRKSA-N 1 0 345.367 -1.797 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncn(C)n2)n1 ZINC001130209525 786918950 /nfs/dbraw/zinc/91/89/50/786918950.db2.gz FMFMIHFUOIVBSJ-QWRGUYRKSA-N 1 0 344.379 -1.042 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(C)nn2)n1 ZINC001130209623 786918360 /nfs/dbraw/zinc/91/83/60/786918360.db2.gz HRKXFTDHJGELQI-JQWIXIFHSA-N 1 0 344.379 -1.042 20 30 EAEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ncnn2)[nH]1 ZINC001130210207 786919270 /nfs/dbraw/zinc/91/92/70/786919270.db2.gz ZIZDJKADFKQNOC-QWRGUYRKSA-N 1 0 347.383 -1.244 20 30 EAEDRO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212790 786918168 /nfs/dbraw/zinc/91/81/68/786918168.db2.gz DBRQANZPGUCLTC-RYUDHWBXSA-N 1 0 346.391 -1.218 20 30 EAEDRO COc1ccc(COCC(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001130214248 786918157 /nfs/dbraw/zinc/91/81/57/786918157.db2.gz IPAZRMCWEMBKMW-UHFFFAOYSA-N 1 0 335.364 -1.048 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2nccn2)n1 ZINC001130215929 786918456 /nfs/dbraw/zinc/91/84/56/786918456.db2.gz IIHQLVATUDXQQA-RYUDHWBXSA-N 1 0 344.379 -1.192 20 30 EAEDRO COc1cc(COCC(=O)NCC[NH2+]CC(=O)NCC#N)ccn1 ZINC001130217463 786919023 /nfs/dbraw/zinc/91/90/23/786919023.db2.gz ZTERDOKYDMPDRE-UHFFFAOYSA-N 1 0 335.364 -1.048 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(=O)NC)n1 ZINC001130221058 786920158 /nfs/dbraw/zinc/92/01/58/786920158.db2.gz RHGWMZIOBWKQEY-QWRGUYRKSA-N 1 0 349.395 -1.555 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCNC2=O)n1 ZINC001130224916 786921590 /nfs/dbraw/zinc/92/15/90/786921590.db2.gz IPGMJMSXPQHNJS-SRVKXCTJSA-N 1 0 346.391 -1.348 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCNC2=O)n1 ZINC001130224917 786921515 /nfs/dbraw/zinc/92/15/15/786921515.db2.gz IPGMJMSXPQHNJS-TUAOUCFPSA-N 1 0 346.391 -1.348 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nnn(C)n2)n1 ZINC001130227591 786921495 /nfs/dbraw/zinc/92/14/95/786921495.db2.gz FNQAUHWCNLMUGE-UWVGGRQHSA-N 1 0 345.367 -1.647 20 30 EAEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nnn(C)n2)[nH]1 ZINC001130227835 786919733 /nfs/dbraw/zinc/91/97/33/786919733.db2.gz RIWUFBJDGLYKDY-UWVGGRQHSA-N 1 0 347.383 -1.094 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130232621 786921643 /nfs/dbraw/zinc/92/16/43/786921643.db2.gz XIAUGYMFIWNNBI-UHFFFAOYSA-N 1 0 329.422 -1.181 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233691 786920480 /nfs/dbraw/zinc/92/04/80/786920480.db2.gz DERQWOGQKNNGQH-UHFFFAOYSA-N 1 0 328.394 -1.843 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130233925 786921016 /nfs/dbraw/zinc/92/10/16/786921016.db2.gz JEVFYBNMKUQVAM-UHFFFAOYSA-N 1 0 327.406 -1.734 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130234302 786920915 /nfs/dbraw/zinc/92/09/15/786920915.db2.gz WXIJGSHXSIJJET-LLVKDONJSA-N 1 0 341.433 -1.345 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130234303 786921233 /nfs/dbraw/zinc/92/12/33/786921233.db2.gz WXIJGSHXSIJJET-NSHDSACASA-N 1 0 341.433 -1.345 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001130235148 786920199 /nfs/dbraw/zinc/92/01/99/786920199.db2.gz VLAUHUPTVUPYOS-USZNOCQGSA-N 1 0 346.391 -1.362 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001130238034 786921348 /nfs/dbraw/zinc/92/13/48/786921348.db2.gz PXPGPEXUQQYOMA-AXFHLTTASA-N 1 0 347.379 -1.802 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001130238035 786921110 /nfs/dbraw/zinc/92/11/10/786921110.db2.gz PXPGPEXUQQYOMA-DCAQKATOSA-N 1 0 347.379 -1.802 20 30 EAEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001130238094 786920656 /nfs/dbraw/zinc/92/06/56/786920656.db2.gz SYCMAXLCPXWBBG-AXFHLTTASA-N 1 0 349.395 -1.250 20 30 EAEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001130238095 786920578 /nfs/dbraw/zinc/92/05/78/786920578.db2.gz SYCMAXLCPXWBBG-DCAQKATOSA-N 1 0 349.395 -1.250 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(N)=O)CC2)n1 ZINC001130240535 786921460 /nfs/dbraw/zinc/92/14/60/786921460.db2.gz TUHZSJKXLVGGMG-QWRGUYRKSA-N 1 0 346.391 -1.218 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)N(C)C)n1 ZINC001130242127 786923751 /nfs/dbraw/zinc/92/37/51/786923751.db2.gz HLIMMZWXXQSUHH-RYUDHWBXSA-N 1 0 348.407 -1.006 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn(C)n2)n1 ZINC001130246789 786922189 /nfs/dbraw/zinc/92/21/89/786922189.db2.gz PUOXGOTXYHPENK-JQWIXIFHSA-N 1 0 344.379 -1.042 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001130247073 786923107 /nfs/dbraw/zinc/92/31/07/786923107.db2.gz STDHZRFGGFDGTE-SRVKXCTJSA-N 1 0 346.391 -1.205 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCNC(N)=O)n1 ZINC001130249117 786922622 /nfs/dbraw/zinc/92/26/22/786922622.db2.gz KMRAIYDWHGREJN-QWRGUYRKSA-N 1 0 349.395 -1.425 20 30 EAEDRO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cncn2)n1 ZINC001130249272 786923417 /nfs/dbraw/zinc/92/34/17/786923417.db2.gz UYGGBIUGCTVQDU-RYUDHWBXSA-N 1 0 344.379 -1.192 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130252996 786922513 /nfs/dbraw/zinc/92/25/13/786922513.db2.gz BLLLCUIPAGZKGB-LLVKDONJSA-N 1 0 331.376 -1.433 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130252997 786923195 /nfs/dbraw/zinc/92/31/95/786923195.db2.gz BLLLCUIPAGZKGB-NSHDSACASA-N 1 0 331.376 -1.433 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130257335 786922333 /nfs/dbraw/zinc/92/23/33/786922333.db2.gz FADBHSVPNWQQET-MNOVXSKESA-N 1 0 337.298 -1.212 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130258453 786925802 /nfs/dbraw/zinc/92/58/02/786925802.db2.gz ODHJZIJAVQIQAN-ZJUUUORDSA-N 1 0 338.286 -1.322 20 30 EAEDRO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(N)=O)CC1 ZINC001130271874 786925207 /nfs/dbraw/zinc/92/52/07/786925207.db2.gz YDPFZYHIRPUOGM-DOMZBBRYSA-N 1 0 335.408 -1.237 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(OC)cc(OC)n1 ZINC001130292046 786924476 /nfs/dbraw/zinc/92/44/76/786924476.db2.gz XTOQVSAJAUIEJO-JTQLQIEISA-N 1 0 335.364 -1.049 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(OC)cc(OC)n1 ZINC001130292047 786924352 /nfs/dbraw/zinc/92/43/52/786924352.db2.gz XTOQVSAJAUIEJO-SNVBAGLBSA-N 1 0 335.364 -1.049 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130322994 786928378 /nfs/dbraw/zinc/92/83/78/786928378.db2.gz CXFFBHBCKNSSRS-NXEZZACHSA-N 1 0 348.425 -1.474 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130322995 786928005 /nfs/dbraw/zinc/92/80/05/786928005.db2.gz CXFFBHBCKNSSRS-UWVGGRQHSA-N 1 0 348.425 -1.474 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130322996 786927893 /nfs/dbraw/zinc/92/78/93/786927893.db2.gz CXFFBHBCKNSSRS-VHSXEESVSA-N 1 0 348.425 -1.474 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130322997 786927722 /nfs/dbraw/zinc/92/77/22/786927722.db2.gz CXFFBHBCKNSSRS-ZJUUUORDSA-N 1 0 348.425 -1.474 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323638 786927047 /nfs/dbraw/zinc/92/70/47/786927047.db2.gz LSQNBLFMWTZSEX-SECBINFHSA-N 1 0 334.398 -1.863 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323640 786927801 /nfs/dbraw/zinc/92/78/01/786927801.db2.gz LSQNBLFMWTZSEX-VIFPVBQESA-N 1 0 334.398 -1.863 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130324224 786927088 /nfs/dbraw/zinc/92/70/88/786927088.db2.gz UYEMLLDZLRXSSW-LLVKDONJSA-N 1 0 332.426 -1.113 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130324225 786927324 /nfs/dbraw/zinc/92/73/24/786927324.db2.gz UYEMLLDZLRXSSW-NSHDSACASA-N 1 0 332.426 -1.113 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327009 786928412 /nfs/dbraw/zinc/92/84/12/786928412.db2.gz HWDCSSMONPZUBB-UHFFFAOYSA-N 1 0 332.426 -1.111 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327097 786929313 /nfs/dbraw/zinc/92/93/13/786929313.db2.gz KNYCYGMAUMZSES-UHFFFAOYSA-N 1 0 334.398 -1.861 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130333958 786930928 /nfs/dbraw/zinc/93/09/28/786930928.db2.gz SXYANXAEEWJYHI-JTQLQIEISA-N 1 0 348.425 -1.473 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130333959 786931066 /nfs/dbraw/zinc/93/10/66/786931066.db2.gz SXYANXAEEWJYHI-SNVBAGLBSA-N 1 0 348.425 -1.473 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCS(=O)(=O)CC(C)C ZINC001130334851 786930707 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786978383 /nfs/dbraw/zinc/97/83/83/786978383.db2.gz AOSXVZFUGNHPGK-ZDUSSCGKSA-N 1 0 348.403 -1.048 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)NC(N)=O)n2)O1 ZINC001130778074 786978071 /nfs/dbraw/zinc/97/80/71/786978071.db2.gz DOFWCRXEDWUFEO-GARJFASQSA-N 1 0 349.395 -1.079 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(=O)NC)n2)O1 ZINC001130778302 786978344 /nfs/dbraw/zinc/97/83/44/786978344.db2.gz QAMXTPGNFUXEIA-WDEREUQCSA-N 1 0 334.380 -1.000 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3COC(=O)N3)n2)O1 ZINC001130781309 786977492 /nfs/dbraw/zinc/97/74/92/786977492.db2.gz XXDQJJAKDGMLEJ-GARJFASQSA-N 1 0 348.363 -1.028 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3COC(=O)N3)n2)O1 ZINC001130781310 786978256 /nfs/dbraw/zinc/97/82/56/786978256.db2.gz XXDQJJAKDGMLEJ-HBNTYKKESA-N 1 0 348.363 -1.028 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130781780 786977458 /nfs/dbraw/zinc/97/74/58/786977458.db2.gz 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C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CNC(=O)N3)n2)O1 ZINC001130799415 786980581 /nfs/dbraw/zinc/98/05/81/786980581.db2.gz GOCHAZQHPCIKQA-HBNTYKKESA-N 1 0 347.379 -1.455 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130802651 786980890 /nfs/dbraw/zinc/98/08/90/786980890.db2.gz FHCMSCJNOWVKRE-UHFFFAOYSA-N 1 0 330.366 -1.451 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130802745 786981153 /nfs/dbraw/zinc/98/11/53/786981153.db2.gz JGQQVAVQLYXTHT-UHFFFAOYSA-N 1 0 329.338 -2.114 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130803041 786981371 /nfs/dbraw/zinc/98/13/71/786981371.db2.gz WIGZLVRWIGXAOW-UHFFFAOYSA-N 1 0 328.350 -2.004 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)O1 ZINC001130805193 786979492 /nfs/dbraw/zinc/97/94/92/786979492.db2.gz XJUAHVOUIAZONW-WHOHXGKFSA-N 1 0 346.391 -1.015 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130805562 786979516 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C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941469 787006869 /nfs/dbraw/zinc/00/68/69/787006869.db2.gz QXRKJIXRKXJVSB-UHFFFAOYSA-N 1 0 349.391 -1.145 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130945981 787007884 /nfs/dbraw/zinc/00/78/84/787007884.db2.gz HQWNWNQGVLJCTL-CHWSQXEVSA-N 1 0 333.392 -1.171 20 30 EAEDRO Cn1cncc1[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001130946129 787008835 /nfs/dbraw/zinc/00/88/35/787008835.db2.gz KRMIFGXZLLJTEP-GHMZBOCLSA-N 1 0 347.379 -2.181 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946343 787007954 /nfs/dbraw/zinc/00/79/54/787007954.db2.gz PUFMPLFLVSHRLT-VXGBXAGGSA-N 1 0 346.391 -2.071 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001130946632 787008970 /nfs/dbraw/zinc/00/89/70/787008970.db2.gz YIQIAWMBTVMVOD-VXGBXAGGSA-N 1 0 348.407 -1.518 20 30 EAEDRO COc1ccc(NC(=O)C(=O)NCC[NH2+]CC(=O)NCC#N)cc1 ZINC001130949654 787005822 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333.392 -1.564 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130975863 787010084 /nfs/dbraw/zinc/01/00/84/787010084.db2.gz VRTCZGLNZARHOQ-VXGBXAGGSA-N 1 0 346.391 -2.071 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130989041 787010601 /nfs/dbraw/zinc/01/06/01/787010601.db2.gz TVMHHBCYXMWSFG-JHJVBQTASA-N 1 0 333.392 -1.172 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130989042 787009699 /nfs/dbraw/zinc/00/96/99/787009699.db2.gz TVMHHBCYXMWSFG-YNEHKIRRSA-N 1 0 333.392 -1.172 20 30 EAEDRO C#CCOCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001130989251 787010204 /nfs/dbraw/zinc/01/02/04/787010204.db2.gz YUWLOWLLHUBCGC-CHWSQXEVSA-N 1 0 333.392 -1.171 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001130993363 787011279 /nfs/dbraw/zinc/01/12/79/787011279.db2.gz SLISRFGNWRNLCT-NEPJUHHUSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130993364 787009786 /nfs/dbraw/zinc/00/97/86/787009786.db2.gz SLISRFGNWRNLCT-NWDGAFQWSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001130993365 787009656 /nfs/dbraw/zinc/00/96/56/787009656.db2.gz SLISRFGNWRNLCT-RYUDHWBXSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130993366 787011137 /nfs/dbraw/zinc/01/11/37/787011137.db2.gz SLISRFGNWRNLCT-VXGBXAGGSA-N 1 0 329.422 -1.345 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC001130998375 787013658 /nfs/dbraw/zinc/01/36/58/787013658.db2.gz PWNPNZBRACKEBX-NEPJUHHUSA-N 1 0 329.422 -1.086 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O ZINC001130998376 787014405 /nfs/dbraw/zinc/01/44/05/787014405.db2.gz PWNPNZBRACKEBX-NWDGAFQWSA-N 1 0 329.422 -1.086 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O ZINC001130998377 787014773 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EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2sccn2c1=O ZINC001131002858 787012037 /nfs/dbraw/zinc/01/20/37/787012037.db2.gz VQPGVFNOQHJAEW-UHFFFAOYSA-N 1 0 334.361 -1.285 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2sccn2c1=O ZINC001131005840 787013248 /nfs/dbraw/zinc/01/32/48/787013248.db2.gz YBBILAXNSGPHKC-UHFFFAOYSA-N 1 0 333.373 -1.175 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001131039489 787016710 /nfs/dbraw/zinc/01/67/10/787016710.db2.gz MYSCLMVLUHTOPT-UHFFFAOYSA-N 1 0 332.360 -1.381 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001131039780 787016140 /nfs/dbraw/zinc/01/61/40/787016140.db2.gz VWABBQZXQZKTQB-UHFFFAOYSA-N 1 0 333.348 -1.490 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001131050329 787016883 /nfs/dbraw/zinc/01/68/83/787016883.db2.gz HXBQUUHLFJXGBF-UHFFFAOYSA-N 1 0 335.364 -2.042 20 30 EAEDRO COCCn1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccc1=O ZINC001131050689 787017876 /nfs/dbraw/zinc/01/78/76/787017876.db2.gz OAGSXPRWTPRQCE-UHFFFAOYSA-N 1 0 336.352 -2.151 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001131050741 787017723 /nfs/dbraw/zinc/01/77/23/787017723.db2.gz QHGJVXVABYQIDG-UHFFFAOYSA-N 1 0 337.380 -1.489 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001131050751 787017754 /nfs/dbraw/zinc/01/77/54/787017754.db2.gz QUHTXWCCGMHXRQ-GFCCVEGCSA-N 1 0 349.391 -1.653 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001131050752 787017459 /nfs/dbraw/zinc/01/74/59/787017459.db2.gz QUHTXWCCGMHXRQ-LBPRGKRZSA-N 1 0 349.391 -1.653 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059703 787017601 /nfs/dbraw/zinc/01/76/01/787017601.db2.gz FCXULBBPWNESPB-GHMZBOCLSA-N 1 0 334.380 -1.908 20 30 EAEDRO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001131059950 787018053 /nfs/dbraw/zinc/01/80/53/787018053.db2.gz QOBMNVOFSBPPDG-NXEZZACHSA-N 1 0 333.352 -2.571 20 30 EAEDRO 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BVXCXCNEFKQJSX-UHFFFAOYSA-N 1 0 346.351 -1.545 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cc(C)nn1C ZINC001131284651 787028805 /nfs/dbraw/zinc/02/88/05/787028805.db2.gz JOYBLDOHPHCZMN-UHFFFAOYSA-N 1 0 336.396 -1.011 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131387106 787050435 /nfs/dbraw/zinc/05/04/35/787050435.db2.gz BCJSUHMWMGCOHL-UHFFFAOYSA-N 1 0 332.426 -1.580 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131388858 787051760 /nfs/dbraw/zinc/05/17/60/787051760.db2.gz BMCZZEHLDZVASN-UHFFFAOYSA-N 1 0 331.398 -2.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131389063 787051778 /nfs/dbraw/zinc/05/17/78/787051778.db2.gz MTXHRTWWPGPKJU-UHFFFAOYSA-N 1 0 330.410 -2.133 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131391626 787052538 /nfs/dbraw/zinc/05/25/38/787052538.db2.gz ORBVXPQAIHHINX-GFCCVEGCSA-N 1 0 344.437 -1.744 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131391627 787052356 /nfs/dbraw/zinc/05/23/56/787052356.db2.gz ORBVXPQAIHHINX-LBPRGKRZSA-N 1 0 344.437 -1.744 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131391898 787053377 /nfs/dbraw/zinc/05/33/77/787053377.db2.gz VJLIKIGMRDDSKL-GFCCVEGCSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131391899 787052094 /nfs/dbraw/zinc/05/20/94/787052094.db2.gz VJLIKIGMRDDSKL-LBPRGKRZSA-N 1 0 346.453 -1.192 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001131393397 787053366 /nfs/dbraw/zinc/05/33/66/787053366.db2.gz XELJBLSXAWLDQV-UHFFFAOYSA-N 1 0 325.413 -1.261 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc2c(c1)nnn2C ZINC001131461663 787056718 /nfs/dbraw/zinc/05/67/18/787056718.db2.gz MTIASUPSYIJXNK-JTQLQIEISA-N 1 0 329.364 -1.179 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc2c(c1)nnn2C ZINC001131461666 787058183 /nfs/dbraw/zinc/05/81/83/787058183.db2.gz MTIASUPSYIJXNK-SNVBAGLBSA-N 1 0 329.364 -1.179 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131488446 787057924 /nfs/dbraw/zinc/05/79/24/787057924.db2.gz KZOMRRKORFFMFB-NEPJUHHUSA-N 1 0 326.397 -1.193 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131488474 787057181 /nfs/dbraw/zinc/05/71/81/787057181.db2.gz LVZFBLRZEDEYPU-MNOVXSKESA-N 1 0 325.369 -1.855 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131494374 787057550 /nfs/dbraw/zinc/05/75/50/787057550.db2.gz OYBYOYFLBZUXND-UPJWGTAASA-N 1 0 338.408 -1.357 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131494375 787057530 /nfs/dbraw/zinc/05/75/30/787057530.db2.gz OYBYOYFLBZUXND-XQQFMLRXSA-N 1 0 338.408 -1.357 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536920 787062251 /nfs/dbraw/zinc/06/22/51/787062251.db2.gz RIDALTXGCRMBRA-UHFFFAOYSA-N 1 0 336.352 -1.889 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545425 787060929 /nfs/dbraw/zinc/06/09/29/787060929.db2.gz RFSYXXBQODSUBT-UHFFFAOYSA-N 1 0 334.380 -1.138 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552259 787062871 /nfs/dbraw/zinc/06/28/71/787062871.db2.gz HVAXTAQSFNCAFQ-OCCSQVGLSA-N 1 0 338.408 -1.240 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552448 787062797 /nfs/dbraw/zinc/06/27/97/787062797.db2.gz PLJAJVAMBLVSEC-OCCSQVGLSA-N 1 0 336.392 -1.793 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001131552611 787062174 /nfs/dbraw/zinc/06/21/74/787062174.db2.gz YFLRXTZMBSXLAN-YPMHNXCESA-N 1 0 337.380 -1.903 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1coc2c1C(=O)NCCC2 ZINC001131562633 787061653 /nfs/dbraw/zinc/06/16/53/787061653.db2.gz CGFGRHWLXVVXNB-UHFFFAOYSA-N 1 0 333.348 -1.085 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131622098 787062446 /nfs/dbraw/zinc/06/24/46/787062446.db2.gz STKGQWFNWQKMCE-UHFFFAOYSA-N 1 0 330.348 -1.012 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131622182 787064654 /nfs/dbraw/zinc/06/46/54/787064654.db2.gz XNRWTIWRGHAROY-UHFFFAOYSA-N 1 0 331.336 -1.121 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131626757 787064772 /nfs/dbraw/zinc/06/47/72/787064772.db2.gz IHYBLLJNGFVXFQ-UHFFFAOYSA-N 1 0 337.384 -1.442 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639254 787066922 /nfs/dbraw/zinc/06/69/22/787066922.db2.gz DWWQERMZAYCFCB-VIFPVBQESA-N 1 0 330.366 -3.645 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639456 787066352 /nfs/dbraw/zinc/06/63/52/787066352.db2.gz HITQMXGJRRPWNW-UWVGGRQHSA-N 1 0 344.393 -3.257 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639459 787066730 /nfs/dbraw/zinc/06/67/30/787066730.db2.gz HITQMXGJRRPWNW-ZJUUUORDSA-N 1 0 344.393 -3.257 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639882 787069142 /nfs/dbraw/zinc/06/91/42/787069142.db2.gz RUWOZWSRBLMIJA-UWVGGRQHSA-N 1 0 346.409 -2.704 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639883 787068348 /nfs/dbraw/zinc/06/83/48/787068348.db2.gz RUWOZWSRBLMIJA-ZJUUUORDSA-N 1 0 346.409 -2.704 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001131640915 787068743 /nfs/dbraw/zinc/06/87/43/787068743.db2.gz AFNCGPOIFKIVML-AAEUAGOBSA-N 1 0 332.408 -1.007 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001131640916 787068504 /nfs/dbraw/zinc/06/85/04/787068504.db2.gz AFNCGPOIFKIVML-DGCLKSJQSA-N 1 0 332.408 -1.007 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001131640917 787069184 /nfs/dbraw/zinc/06/91/84/787069184.db2.gz AFNCGPOIFKIVML-WCQYABFASA-N 1 0 332.408 -1.007 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001131640918 787069547 /nfs/dbraw/zinc/06/95/47/787069547.db2.gz AFNCGPOIFKIVML-YPMHNXCESA-N 1 0 332.408 -1.007 20 30 EAEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652459 787070209 /nfs/dbraw/zinc/07/02/09/787070209.db2.gz GQDFASLIFOUXLX-AWEZNQCLSA-N 1 0 349.412 -1.343 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652863 787070561 /nfs/dbraw/zinc/07/05/61/787070561.db2.gz KYHNJKIVOPLVHO-QMMMGPOBSA-N 1 0 331.354 -3.755 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652938 787070278 /nfs/dbraw/zinc/07/02/78/787070278.db2.gz PEBOASNWHDXBDT-VIFPVBQESA-N 1 0 332.382 -3.092 20 30 EAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131668788 787073885 /nfs/dbraw/zinc/07/38/85/787073885.db2.gz DMINKRFRTNREBC-GXTWGEPZSA-N 1 0 344.437 -1.635 20 30 EAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131668789 787073497 /nfs/dbraw/zinc/07/34/97/787073497.db2.gz DMINKRFRTNREBC-JSGCOSHPSA-N 1 0 344.437 -1.635 20 30 EAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131668790 787072961 /nfs/dbraw/zinc/07/29/61/787072961.db2.gz DMINKRFRTNREBC-OCCSQVGLSA-N 1 0 344.437 -1.635 20 30 EAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131668791 787072856 /nfs/dbraw/zinc/07/28/56/787072856.db2.gz DMINKRFRTNREBC-TZMCWYRMSA-N 1 0 344.437 -1.635 20 30 EAEDRO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131670064 787074709 /nfs/dbraw/zinc/07/47/09/787074709.db2.gz ZNIKGAGGBLKMPI-GXTWGEPZSA-N 1 0 346.453 -1.082 20 30 EAEDRO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131670065 787075216 /nfs/dbraw/zinc/07/52/16/787075216.db2.gz ZNIKGAGGBLKMPI-JSGCOSHPSA-N 1 0 346.453 -1.082 20 30 EAEDRO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131670066 787074777 /nfs/dbraw/zinc/07/47/77/787074777.db2.gz ZNIKGAGGBLKMPI-OCCSQVGLSA-N 1 0 346.453 -1.082 20 30 EAEDRO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131670067 787075165 /nfs/dbraw/zinc/07/51/65/787075165.db2.gz ZNIKGAGGBLKMPI-TZMCWYRMSA-N 1 0 346.453 -1.082 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1=O ZINC001131676138 787079473 /nfs/dbraw/zinc/07/94/73/787079473.db2.gz HNXCDQUDLNUNOO-OLZOCXBDSA-N 1 0 346.391 -1.142 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1=O ZINC001131676140 787079584 /nfs/dbraw/zinc/07/95/84/787079584.db2.gz HNXCDQUDLNUNOO-STQMWFEESA-N 1 0 346.391 -1.142 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131676596 787079986 /nfs/dbraw/zinc/07/99/86/787079986.db2.gz LBRPTKMPMKVPJG-JQWIXIFHSA-N 1 0 332.364 -1.791 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131676597 787079347 /nfs/dbraw/zinc/07/93/47/787079347.db2.gz LBRPTKMPMKVPJG-PWSUYJOCSA-N 1 0 332.364 -1.791 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131679914 787075839 /nfs/dbraw/zinc/07/58/39/787075839.db2.gz AAZWCAHGPFWTLE-JQWIXIFHSA-N 1 0 334.380 -1.238 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131679915 787076145 /nfs/dbraw/zinc/07/61/45/787076145.db2.gz AAZWCAHGPFWTLE-PWSUYJOCSA-N 1 0 334.380 -1.238 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131680555 787075697 /nfs/dbraw/zinc/07/56/97/787075697.db2.gz LWTGHTOIOVMACG-BMIGLBTASA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131680556 787075677 /nfs/dbraw/zinc/07/56/77/787075677.db2.gz LWTGHTOIOVMACG-BONVTDFDSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131680557 787075738 /nfs/dbraw/zinc/07/57/38/787075738.db2.gz LWTGHTOIOVMACG-MEBBXXQBSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131680558 787074967 /nfs/dbraw/zinc/07/49/67/787074967.db2.gz LWTGHTOIOVMACG-ZUZCIYMTSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131685733 787076469 /nfs/dbraw/zinc/07/64/69/787076469.db2.gz YHNOTAIPUBISBV-AWEZNQCLSA-N 1 0 325.369 -1.770 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131685738 787077621 /nfs/dbraw/zinc/07/76/21/787077621.db2.gz YHNOTAIPUBISBV-CQSZACIVSA-N 1 0 325.369 -1.770 20 30 EAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@H](C)O2 ZINC001131700939 787081316 /nfs/dbraw/zinc/08/13/16/787081316.db2.gz LNFUCPAZLXETIC-GXTWGEPZSA-N 1 0 329.422 -1.139 20 30 EAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@H](C)O2 ZINC001131700940 787082377 /nfs/dbraw/zinc/08/23/77/787082377.db2.gz LNFUCPAZLXETIC-JSGCOSHPSA-N 1 0 329.422 -1.139 20 30 EAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131700941 787081223 /nfs/dbraw/zinc/08/12/23/787081223.db2.gz LNFUCPAZLXETIC-OCCSQVGLSA-N 1 0 329.422 -1.139 20 30 EAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131700942 787081928 /nfs/dbraw/zinc/08/19/28/787081928.db2.gz LNFUCPAZLXETIC-TZMCWYRMSA-N 1 0 329.422 -1.139 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131751898 787086185 /nfs/dbraw/zinc/08/61/85/787086185.db2.gz FZSMMMMBBXJHFB-UHFFFAOYSA-N 1 0 330.352 -1.321 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131752154 787086391 /nfs/dbraw/zinc/08/63/91/787086391.db2.gz NBKRSUDAKZNRRX-UHFFFAOYSA-N 1 0 328.336 -1.874 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131752464 787086621 /nfs/dbraw/zinc/08/66/21/787086621.db2.gz YFVPVSRHCKPPEO-UHFFFAOYSA-N 1 0 329.324 -1.984 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131754851 787085521 /nfs/dbraw/zinc/08/55/21/787085521.db2.gz RATWUCZTXHTJIX-LLVKDONJSA-N 1 0 342.363 -1.485 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131754852 787086536 /nfs/dbraw/zinc/08/65/36/787086536.db2.gz RATWUCZTXHTJIX-NSHDSACASA-N 1 0 342.363 -1.485 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001131768586 787087212 /nfs/dbraw/zinc/08/72/12/787087212.db2.gz BZWLIICTONHRLN-GFCCVEGCSA-N 1 0 336.396 -1.535 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCn2ncn(C)c2=O)C1=O ZINC001131768588 787088402 /nfs/dbraw/zinc/08/84/02/787088402.db2.gz BZWLIICTONHRLN-LBPRGKRZSA-N 1 0 336.396 -1.535 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CCC)S(N)(=O)=O)C1=O ZINC001131777505 787090265 /nfs/dbraw/zinc/09/02/65/787090265.db2.gz NFSCTVSTICOUNJ-NEPJUHHUSA-N 1 0 346.453 -1.064 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CCC)S(N)(=O)=O)C1=O ZINC001131777506 787090870 /nfs/dbraw/zinc/09/08/70/787090870.db2.gz NFSCTVSTICOUNJ-NWDGAFQWSA-N 1 0 346.453 -1.064 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CCC)S(N)(=O)=O)C1=O ZINC001131777507 787090485 /nfs/dbraw/zinc/09/04/85/787090485.db2.gz NFSCTVSTICOUNJ-RYUDHWBXSA-N 1 0 346.453 -1.064 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](CCC)S(N)(=O)=O)C1=O ZINC001131777508 787089541 /nfs/dbraw/zinc/08/95/41/787089541.db2.gz NFSCTVSTICOUNJ-VXGBXAGGSA-N 1 0 346.453 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20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837134 787102793 /nfs/dbraw/zinc/10/27/93/787102793.db2.gz QSHRRGCNFYQCON-UHFFFAOYSA-N 1 0 347.441 -2.053 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC001131837154 787102776 /nfs/dbraw/zinc/10/27/76/787102776.db2.gz RMQDDVZEOHIIAO-UHFFFAOYSA-N 1 0 327.348 -1.269 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840157 787096515 /nfs/dbraw/zinc/09/65/15/787096515.db2.gz AZZUCEBZTPZWMK-LLVKDONJSA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840158 787097855 /nfs/dbraw/zinc/09/78/55/787097855.db2.gz AZZUCEBZTPZWMK-NSHDSACASA-N 1 0 339.396 -1.380 20 30 EAEDRO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131866813 787106347 /nfs/dbraw/zinc/10/63/47/787106347.db2.gz CPISDKQGLBNJIV-INIZCTEOSA-N 1 0 340.424 -1.121 20 30 EAEDRO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001131866814 787106447 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345.367 -1.849 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109823 787121141 /nfs/dbraw/zinc/12/11/41/787121141.db2.gz RVHFWDHXALEHON-VIFPVBQESA-N 1 0 345.367 -1.849 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109881 787121156 /nfs/dbraw/zinc/12/11/56/787121156.db2.gz UNIHMESTRAYJSX-UHFFFAOYSA-N 1 0 331.340 -2.237 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cncn2)nc1 ZINC001132117960 787119799 /nfs/dbraw/zinc/11/97/99/787119799.db2.gz OGWRBQCSSSFMAU-UHFFFAOYSA-N 1 0 328.336 -1.379 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cncn2)nc1 ZINC001132117975 787120192 /nfs/dbraw/zinc/12/01/92/787120192.db2.gz PCHHUQZTXUDCFM-UHFFFAOYSA-N 1 0 327.348 -1.269 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC001132132314 787122826 /nfs/dbraw/zinc/12/28/26/787122826.db2.gz HQQRFTJPSQVNOX-UHFFFAOYSA-N 1 0 332.364 -1.496 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC001132132891 787122521 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001132184390 787124715 /nfs/dbraw/zinc/12/47/15/787124715.db2.gz JOVDLYVMXSRDEW-GFCCVEGCSA-N 1 0 333.392 -1.146 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001132184391 787124501 /nfs/dbraw/zinc/12/45/01/787124501.db2.gz JOVDLYVMXSRDEW-LBPRGKRZSA-N 1 0 333.392 -1.146 20 30 EAEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)cc1 ZINC001132215973 787127567 /nfs/dbraw/zinc/12/75/67/787127567.db2.gz UKFWEFRGGRGHFR-UHFFFAOYSA-N 1 0 328.372 -1.054 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132257670 787130886 /nfs/dbraw/zinc/13/08/86/787130886.db2.gz NRSPCECNBVNRMN-LLVKDONJSA-N 1 0 339.396 -1.285 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132257671 787131670 /nfs/dbraw/zinc/13/16/70/787131670.db2.gz NRSPCECNBVNRMN-NSHDSACASA-N 1 0 339.396 -1.285 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2nnnc2c1 ZINC001132271720 787130656 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CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318381 787134221 /nfs/dbraw/zinc/13/42/21/787134221.db2.gz XKWJGMITUDSYGI-UHFFFAOYSA-N 1 0 338.412 -2.114 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132323905 787137667 /nfs/dbraw/zinc/13/76/67/787137667.db2.gz LKRRNEDMFGEMEC-UHFFFAOYSA-N 1 0 337.424 -1.675 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337102 787134242 /nfs/dbraw/zinc/13/42/42/787134242.db2.gz GNJNLWWGLXKRRJ-NXEZZACHSA-N 1 0 325.369 -1.785 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337103 787134863 /nfs/dbraw/zinc/13/48/63/787134863.db2.gz GNJNLWWGLXKRRJ-UWVGGRQHSA-N 1 0 325.369 -1.785 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337104 787134079 /nfs/dbraw/zinc/13/40/79/787134079.db2.gz GNJNLWWGLXKRRJ-VHSXEESVSA-N 1 0 325.369 -1.785 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337105 787134720 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20 30 EAEDRO O=C(C[NH2+]CCNC(=O)[C@@H]1CCNC1=O)NCC#Cc1ccccc1 ZINC001132360389 787141219 /nfs/dbraw/zinc/14/12/19/787141219.db2.gz YJSLUABWQIPAJN-OAHLLOKOSA-N 1 0 342.399 -1.004 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376631 787144926 /nfs/dbraw/zinc/14/49/26/787144926.db2.gz PYOJRDQDEHVPNJ-NXEZZACHSA-N 1 0 325.369 -1.771 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376632 787144173 /nfs/dbraw/zinc/14/41/73/787144173.db2.gz PYOJRDQDEHVPNJ-UWVGGRQHSA-N 1 0 325.369 -1.771 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376633 787143864 /nfs/dbraw/zinc/14/38/64/787143864.db2.gz PYOJRDQDEHVPNJ-VHSXEESVSA-N 1 0 325.369 -1.771 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376634 787144314 /nfs/dbraw/zinc/14/43/14/787144314.db2.gz PYOJRDQDEHVPNJ-ZJUUUORDSA-N 1 0 325.369 -1.771 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132382419 787146569 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KDENQCLYJJIQCN-NEPJUHHUSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132617424 787155295 /nfs/dbraw/zinc/15/52/95/787155295.db2.gz KDENQCLYJJIQCN-NWDGAFQWSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132617425 787155156 /nfs/dbraw/zinc/15/51/56/787155156.db2.gz KDENQCLYJJIQCN-RYUDHWBXSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132617426 787154273 /nfs/dbraw/zinc/15/42/73/787154273.db2.gz KDENQCLYJJIQCN-VXGBXAGGSA-N 1 0 334.384 -1.613 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C ZINC001132617433 787154552 /nfs/dbraw/zinc/15/45/52/787154552.db2.gz KDTUSHBQRTTYBG-CHWSQXEVSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C ZINC001132617435 787154357 /nfs/dbraw/zinc/15/43/57/787154357.db2.gz KDTUSHBQRTTYBG-OLZOCXBDSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132617436 787155304 /nfs/dbraw/zinc/15/53/04/787155304.db2.gz KDTUSHBQRTTYBG-QWHCGFSZSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132617437 787154920 /nfs/dbraw/zinc/15/49/20/787154920.db2.gz KDTUSHBQRTTYBG-STQMWFEESA-N 1 0 333.396 -1.503 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132624146 787156398 /nfs/dbraw/zinc/15/63/98/787156398.db2.gz MBUJIBDVRACCHF-GHMZBOCLSA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132624151 787156278 /nfs/dbraw/zinc/15/62/78/787156278.db2.gz MBUJIBDVRACCHF-MNOVXSKESA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132624152 787156413 /nfs/dbraw/zinc/15/64/13/787156413.db2.gz MBUJIBDVRACCHF-QWRGUYRKSA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132624154 787156194 /nfs/dbraw/zinc/15/61/94/787156194.db2.gz MBUJIBDVRACCHF-WDEREUQCSA-N 1 0 339.396 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001132684115 787158102 /nfs/dbraw/zinc/15/81/02/787158102.db2.gz ADDWYUHBQUTQKM-CHWSQXEVSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@H]1C ZINC001132684116 787157938 /nfs/dbraw/zinc/15/79/38/787157938.db2.gz ADDWYUHBQUTQKM-OLZOCXBDSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001132684117 787157689 /nfs/dbraw/zinc/15/76/89/787157689.db2.gz ADDWYUHBQUTQKM-QWHCGFSZSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001132684118 787157409 /nfs/dbraw/zinc/15/74/09/787157409.db2.gz ADDWYUHBQUTQKM-STQMWFEESA-N 1 0 343.449 -1.145 20 30 EAEDRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132684931 787157695 /nfs/dbraw/zinc/15/76/95/787157695.db2.gz OLOPZKZGDSDVPA-NEPJUHHUSA-N 1 0 344.437 -1.255 20 30 EAEDRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132684932 787158266 /nfs/dbraw/zinc/15/82/66/787158266.db2.gz OLOPZKZGDSDVPA-NWDGAFQWSA-N 1 0 344.437 -1.255 20 30 EAEDRO C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132684933 787157900 /nfs/dbraw/zinc/15/79/00/787157900.db2.gz OLOPZKZGDSDVPA-RYUDHWBXSA-N 1 0 344.437 -1.255 20 30 EAEDRO C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132684934 787157500 /nfs/dbraw/zinc/15/75/00/787157500.db2.gz OLOPZKZGDSDVPA-VXGBXAGGSA-N 1 0 344.437 -1.255 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c(C)nc[nH]c1=O ZINC001132706629 787157619 /nfs/dbraw/zinc/15/76/19/787157619.db2.gz QOEUEHSYNFKBTR-UHFFFAOYSA-N 1 0 336.352 -1.178 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715461 787159715 /nfs/dbraw/zinc/15/97/15/787159715.db2.gz QBNXNJBQHPABNJ-HNNXBMFYSA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715462 787159407 /nfs/dbraw/zinc/15/94/07/787159407.db2.gz QBNXNJBQHPABNJ-OAHLLOKOSA-N 1 0 339.396 -1.380 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001132757815 787160617 /nfs/dbraw/zinc/16/06/17/787160617.db2.gz QRAARENHSLBTRA-CHWSQXEVSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001132757816 787160677 /nfs/dbraw/zinc/16/06/77/787160677.db2.gz QRAARENHSLBTRA-OLZOCXBDSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001132757817 787160325 /nfs/dbraw/zinc/16/03/25/787160325.db2.gz QRAARENHSLBTRA-QWHCGFSZSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001132757818 787160892 /nfs/dbraw/zinc/16/08/92/787160892.db2.gz QRAARENHSLBTRA-STQMWFEESA-N 1 0 348.407 -1.193 20 30 EAEDRO C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132758159 787160803 /nfs/dbraw/zinc/16/08/03/787160803.db2.gz VQYOCXIHCXMNGZ-NEPJUHHUSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132758160 787160807 /nfs/dbraw/zinc/16/08/07/787160807.db2.gz VQYOCXIHCXMNGZ-NWDGAFQWSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132758161 787160794 /nfs/dbraw/zinc/16/07/94/787160794.db2.gz VQYOCXIHCXMNGZ-RYUDHWBXSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132758162 787160733 /nfs/dbraw/zinc/16/07/33/787160733.db2.gz VQYOCXIHCXMNGZ-VXGBXAGGSA-N 1 0 349.395 -1.302 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132761805 787160778 /nfs/dbraw/zinc/16/07/78/787160778.db2.gz DCVOGTVSDFPFMU-SNVBAGLBSA-N 1 0 325.369 -1.675 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(=O)NCC#C)CC[C@H]1C ZINC001132762713 787160809 /nfs/dbraw/zinc/16/08/09/787160809.db2.gz SCBNDXOSSZPXBF-CABCVRRESA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(=O)NCC#C)CC[C@@H]1C ZINC001132762714 787160870 /nfs/dbraw/zinc/16/08/70/787160870.db2.gz SCBNDXOSSZPXBF-GJZGRUSLSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NCC#C)CC[C@H]1C ZINC001132762715 787160730 /nfs/dbraw/zinc/16/07/30/787160730.db2.gz SCBNDXOSSZPXBF-HUUCEWRRSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NCC#C)CC[C@@H]1C ZINC001132762717 787160791 /nfs/dbraw/zinc/16/07/91/787160791.db2.gz SCBNDXOSSZPXBF-LSDHHAIUSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132762753 787160648 /nfs/dbraw/zinc/16/06/48/787160648.db2.gz SHDDEZNFHANYIQ-KBPBESRZSA-N 1 0 347.419 -1.160 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132762755 787160570 /nfs/dbraw/zinc/16/05/70/787160570.db2.gz SHDDEZNFHANYIQ-KGLIPLIRSA-N 1 0 347.419 -1.160 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132762757 787160764 /nfs/dbraw/zinc/16/07/64/787160764.db2.gz SHDDEZNFHANYIQ-UONOGXRCSA-N 1 0 347.419 -1.160 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132762759 787160312 /nfs/dbraw/zinc/16/03/12/787160312.db2.gz SHDDEZNFHANYIQ-ZIAGYGMSSA-N 1 0 347.419 -1.160 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001132762993 787160210 /nfs/dbraw/zinc/16/02/10/787160210.db2.gz VJNBMAMTPJGRRW-CHWSQXEVSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001132762995 787160872 /nfs/dbraw/zinc/16/08/72/787160872.db2.gz VJNBMAMTPJGRRW-OLZOCXBDSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001132762998 787160783 /nfs/dbraw/zinc/16/07/83/787160783.db2.gz VJNBMAMTPJGRRW-QWHCGFSZSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001132763000 787160947 /nfs/dbraw/zinc/16/09/47/787160947.db2.gz VJNBMAMTPJGRRW-STQMWFEESA-N 1 0 347.423 -1.076 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767783 787160124 /nfs/dbraw/zinc/16/01/24/787160124.db2.gz TZBBNZJWIPTICU-GHMZBOCLSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767784 787160367 /nfs/dbraw/zinc/16/03/67/787160367.db2.gz TZBBNZJWIPTICU-WDEREUQCSA-N 1 0 339.396 -1.287 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001132784113 787162237 /nfs/dbraw/zinc/16/22/37/787162237.db2.gz IKTVQZXJKMQUMQ-AWEZNQCLSA-N 1 0 337.424 -1.025 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001132784114 787161595 /nfs/dbraw/zinc/16/15/95/787161595.db2.gz IKTVQZXJKMQUMQ-CQSZACIVSA-N 1 0 337.424 -1.025 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132823269 787162232 /nfs/dbraw/zinc/16/22/32/787162232.db2.gz BYCYLUAUMYAUJV-CHWSQXEVSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132823270 787162126 /nfs/dbraw/zinc/16/21/26/787162126.db2.gz BYCYLUAUMYAUJV-OLZOCXBDSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823271 787162260 /nfs/dbraw/zinc/16/22/60/787162260.db2.gz BYCYLUAUMYAUJV-QWHCGFSZSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823272 787162063 /nfs/dbraw/zinc/16/20/63/787162063.db2.gz BYCYLUAUMYAUJV-STQMWFEESA-N 1 0 333.396 -1.503 20 30 EAEDRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132828372 787164363 /nfs/dbraw/zinc/16/43/63/787164363.db2.gz RLIJIZFPIVGQNC-NEPJUHHUSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132828373 787164721 /nfs/dbraw/zinc/16/47/21/787164721.db2.gz RLIJIZFPIVGQNC-NWDGAFQWSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132828374 787163680 /nfs/dbraw/zinc/16/36/80/787163680.db2.gz RLIJIZFPIVGQNC-RYUDHWBXSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132828375 787164283 /nfs/dbraw/zinc/16/42/83/787164283.db2.gz RLIJIZFPIVGQNC-VXGBXAGGSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132851474 787165704 /nfs/dbraw/zinc/16/57/04/787165704.db2.gz UTYKVENAPAGFCF-CHWSQXEVSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132851475 787166181 /nfs/dbraw/zinc/16/61/81/787166181.db2.gz UTYKVENAPAGFCF-OLZOCXBDSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132851476 787166175 /nfs/dbraw/zinc/16/61/75/787166175.db2.gz UTYKVENAPAGFCF-QWHCGFSZSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132851477 787164883 /nfs/dbraw/zinc/16/48/83/787164883.db2.gz UTYKVENAPAGFCF-STQMWFEESA-N 1 0 333.396 -1.008 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)CC[C@H]1C ZINC001132859797 787164519 /nfs/dbraw/zinc/16/45/19/787164519.db2.gz JLAUCKNRYUWCTR-CHWSQXEVSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CC[C@H]1C ZINC001132859798 787163591 /nfs/dbraw/zinc/16/35/91/787163591.db2.gz JLAUCKNRYUWCTR-OLZOCXBDSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)CC[C@@H]1C ZINC001132859799 787163309 /nfs/dbraw/zinc/16/33/09/787163309.db2.gz JLAUCKNRYUWCTR-QWHCGFSZSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CC[C@@H]1C ZINC001132859800 787163719 /nfs/dbraw/zinc/16/37/19/787163719.db2.gz JLAUCKNRYUWCTR-STQMWFEESA-N 1 0 337.424 -1.261 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132860765 787164314 /nfs/dbraw/zinc/16/43/14/787164314.db2.gz ZNDRHQOKABQWLY-NEPJUHHUSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132860766 787164169 /nfs/dbraw/zinc/16/41/69/787164169.db2.gz ZNDRHQOKABQWLY-NWDGAFQWSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132860767 787164293 /nfs/dbraw/zinc/16/42/93/787164293.db2.gz ZNDRHQOKABQWLY-RYUDHWBXSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132860768 787164257 /nfs/dbraw/zinc/16/42/57/787164257.db2.gz ZNDRHQOKABQWLY-VXGBXAGGSA-N 1 0 338.412 -1.371 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132923111 787167338 /nfs/dbraw/zinc/16/73/38/787167338.db2.gz DVIVVPQSSWNOMM-NEPJUHHUSA-N 1 0 332.408 -1.236 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132923112 787166552 /nfs/dbraw/zinc/16/65/52/787166552.db2.gz DVIVVPQSSWNOMM-NWDGAFQWSA-N 1 0 332.408 -1.236 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132923113 787167293 /nfs/dbraw/zinc/16/72/93/787167293.db2.gz DVIVVPQSSWNOMM-RYUDHWBXSA-N 1 0 332.408 -1.236 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132923114 787167254 /nfs/dbraw/zinc/16/72/54/787167254.db2.gz DVIVVPQSSWNOMM-VXGBXAGGSA-N 1 0 332.408 -1.236 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132954517 787169137 /nfs/dbraw/zinc/16/91/37/787169137.db2.gz PMFYPPAOPOZZIQ-JTQLQIEISA-N 1 0 329.364 -1.179 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132954525 787168645 /nfs/dbraw/zinc/16/86/45/787168645.db2.gz PMFYPPAOPOZZIQ-SNVBAGLBSA-N 1 0 329.364 -1.179 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961363 787170811 /nfs/dbraw/zinc/17/08/11/787170811.db2.gz QNTRCGZNZRPHKY-UHFFFAOYSA-N 1 0 338.368 -1.484 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001133000880 787170129 /nfs/dbraw/zinc/17/01/29/787170129.db2.gz MTUXVHPIADAFHU-JTQLQIEISA-N 1 0 349.395 -1.058 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133000881 787170469 /nfs/dbraw/zinc/17/04/69/787170469.db2.gz MTUXVHPIADAFHU-SNVBAGLBSA-N 1 0 349.395 -1.058 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133015693 787170781 /nfs/dbraw/zinc/17/07/81/787170781.db2.gz DRNPDSONGRGJSY-SECBINFHSA-N 1 0 336.352 -1.510 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133015694 787170118 /nfs/dbraw/zinc/17/01/18/787170118.db2.gz DRNPDSONGRGJSY-VIFPVBQESA-N 1 0 336.352 -1.510 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133035472 787171751 /nfs/dbraw/zinc/17/17/51/787171751.db2.gz KXPYWVCIPGLGKY-NEPJUHHUSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133035476 787172122 /nfs/dbraw/zinc/17/21/22/787172122.db2.gz KXPYWVCIPGLGKY-NWDGAFQWSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133035478 787172091 /nfs/dbraw/zinc/17/20/91/787172091.db2.gz KXPYWVCIPGLGKY-RYUDHWBXSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133035479 787172073 /nfs/dbraw/zinc/17/20/73/787172073.db2.gz KXPYWVCIPGLGKY-VXGBXAGGSA-N 1 0 333.396 -1.353 20 30 EAEDRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133036544 787172013 /nfs/dbraw/zinc/17/20/13/787172013.db2.gz QZMFCPJGXXTWDF-GHMZBOCLSA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133036546 787171661 /nfs/dbraw/zinc/17/16/61/787171661.db2.gz QZMFCPJGXXTWDF-MNOVXSKESA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133036547 787171309 /nfs/dbraw/zinc/17/13/09/787171309.db2.gz QZMFCPJGXXTWDF-QWRGUYRKSA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133036549 787171612 /nfs/dbraw/zinc/17/16/12/787171612.db2.gz QZMFCPJGXXTWDF-WDEREUQCSA-N 1 0 334.384 -1.462 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133076465 787173285 /nfs/dbraw/zinc/17/32/85/787173285.db2.gz AZAJGTJKHVVPFT-GHMZBOCLSA-N 1 0 339.396 -1.442 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133076466 787173109 /nfs/dbraw/zinc/17/31/09/787173109.db2.gz AZAJGTJKHVVPFT-MNOVXSKESA-N 1 0 339.396 -1.442 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133076467 787173479 /nfs/dbraw/zinc/17/34/79/787173479.db2.gz AZAJGTJKHVVPFT-QWRGUYRKSA-N 1 0 339.396 -1.442 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133076468 787173218 /nfs/dbraw/zinc/17/32/18/787173218.db2.gz AZAJGTJKHVVPFT-WDEREUQCSA-N 1 0 339.396 -1.442 20 30 EAEDRO C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133082414 787173214 /nfs/dbraw/zinc/17/32/14/787173214.db2.gz GHQGMQQYEFEEAO-NEPJUHHUSA-N 1 0 335.408 -1.034 20 30 EAEDRO C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133082415 787172986 /nfs/dbraw/zinc/17/29/86/787172986.db2.gz GHQGMQQYEFEEAO-NWDGAFQWSA-N 1 0 335.408 -1.034 20 30 EAEDRO C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133082416 787173323 /nfs/dbraw/zinc/17/33/23/787173323.db2.gz GHQGMQQYEFEEAO-RYUDHWBXSA-N 1 0 335.408 -1.034 20 30 EAEDRO C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133082417 787173076 /nfs/dbraw/zinc/17/30/76/787173076.db2.gz GHQGMQQYEFEEAO-VXGBXAGGSA-N 1 0 335.408 -1.034 20 30 EAEDRO O=C(C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)NCC#Cc1ccccc1 ZINC001133115294 787174566 /nfs/dbraw/zinc/17/45/66/787174566.db2.gz JTUMBTBAFWUHBY-AWEZNQCLSA-N 1 0 343.387 -1.459 20 30 EAEDRO O=C(C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1)NCC#Cc1ccccc1 ZINC001133115295 787174543 /nfs/dbraw/zinc/17/45/43/787174543.db2.gz JTUMBTBAFWUHBY-CQSZACIVSA-N 1 0 343.387 -1.459 20 30 EAEDRO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133115927 787175198 /nfs/dbraw/zinc/17/51/98/787175198.db2.gz TVSQWAPYZGGNJV-CYBMUJFWSA-N 1 0 329.360 -1.006 20 30 EAEDRO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001133115928 787176623 /nfs/dbraw/zinc/17/66/23/787176623.db2.gz TVSQWAPYZGGNJV-ZDUSSCGKSA-N 1 0 329.360 -1.006 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120870 787176490 /nfs/dbraw/zinc/17/64/90/787176490.db2.gz DBHDCRRCMSMFJS-BDAKNGLRSA-N 1 0 326.357 -2.226 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120872 787176123 /nfs/dbraw/zinc/17/61/23/787176123.db2.gz DBHDCRRCMSMFJS-DTWKUNHWSA-N 1 0 326.357 -2.226 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133120873 787175874 /nfs/dbraw/zinc/17/58/74/787175874.db2.gz DBHDCRRCMSMFJS-IUCAKERBSA-N 1 0 326.357 -2.226 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133120875 787176450 /nfs/dbraw/zinc/17/64/50/787176450.db2.gz DBHDCRRCMSMFJS-RKDXNWHRSA-N 1 0 326.357 -2.226 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148250 787179950 /nfs/dbraw/zinc/17/99/50/787179950.db2.gz MDOXYWCIQWMHGO-UHFFFAOYSA-N 1 0 347.441 -1.477 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151733 787179735 /nfs/dbraw/zinc/17/97/35/787179735.db2.gz HHNUJGJLZMCUJI-UHFFFAOYSA-N 1 0 349.413 -2.227 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001133152131 787178993 /nfs/dbraw/zinc/17/89/93/787178993.db2.gz ROOMPWGFQNMRCN-LLVKDONJSA-N 1 0 332.426 -1.452 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001133152132 787179985 /nfs/dbraw/zinc/17/99/85/787179985.db2.gz ROOMPWGFQNMRCN-NSHDSACASA-N 1 0 332.426 -1.452 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164237 787181081 /nfs/dbraw/zinc/18/10/81/787181081.db2.gz UIBGJOBOMLFXEU-UHFFFAOYSA-N 1 0 346.453 -1.039 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133192587 787182318 /nfs/dbraw/zinc/18/23/18/787182318.db2.gz HMRVMTPAVPGHFG-SECBINFHSA-N 1 0 325.369 -1.642 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133192590 787182866 /nfs/dbraw/zinc/18/28/66/787182866.db2.gz HMRVMTPAVPGHFG-VIFPVBQESA-N 1 0 325.369 -1.642 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C ZINC001133194221 787183125 /nfs/dbraw/zinc/18/31/25/787183125.db2.gz BBYNLHQWYHHLLQ-KBPBESRZSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C ZINC001133194222 787183218 /nfs/dbraw/zinc/18/32/18/787183218.db2.gz BBYNLHQWYHHLLQ-KGLIPLIRSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C ZINC001133194223 787182523 /nfs/dbraw/zinc/18/25/23/787182523.db2.gz BBYNLHQWYHHLLQ-UONOGXRCSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C ZINC001133194224 787182844 /nfs/dbraw/zinc/18/28/44/787182844.db2.gz BBYNLHQWYHHLLQ-ZIAGYGMSSA-N 1 0 347.423 -1.113 20 30 EAEDRO C[C@@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133204851 787182243 /nfs/dbraw/zinc/18/22/43/787182243.db2.gz RHOOUWLTIKXKJN-CHWSQXEVSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133204852 787183011 /nfs/dbraw/zinc/18/30/11/787183011.db2.gz RHOOUWLTIKXKJN-OLZOCXBDSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133204853 787182470 /nfs/dbraw/zinc/18/24/70/787182470.db2.gz RHOOUWLTIKXKJN-QWHCGFSZSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133204854 787182314 /nfs/dbraw/zinc/18/23/14/787182314.db2.gz RHOOUWLTIKXKJN-STQMWFEESA-N 1 0 348.411 -1.223 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133251941 787184107 /nfs/dbraw/zinc/18/41/07/787184107.db2.gz FUAALZBJYWRWNR-ZDUSSCGKSA-N 1 0 336.396 -1.535 20 30 EAEDRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133254532 787184582 /nfs/dbraw/zinc/18/45/82/787184582.db2.gz CHXFHELXPBZREY-LBPRGKRZSA-N 1 0 335.368 -2.198 20 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787186214 /nfs/dbraw/zinc/18/62/14/787186214.db2.gz YAJIDZHCEGIFDY-QWHCGFSZSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133299272 787185741 /nfs/dbraw/zinc/18/57/41/787185741.db2.gz YAJIDZHCEGIFDY-STQMWFEESA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133301263 787185914 /nfs/dbraw/zinc/18/59/14/787185914.db2.gz FWPDVPHXEGDBOU-NEPJUHHUSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133301264 787185711 /nfs/dbraw/zinc/18/57/11/787185711.db2.gz FWPDVPHXEGDBOU-NWDGAFQWSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133301265 787185939 /nfs/dbraw/zinc/18/59/39/787185939.db2.gz FWPDVPHXEGDBOU-RYUDHWBXSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133301266 787186306 /nfs/dbraw/zinc/18/63/06/787186306.db2.gz FWPDVPHXEGDBOU-VXGBXAGGSA-N 1 0 338.412 -1.241 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C ZINC001133301871 787185356 /nfs/dbraw/zinc/18/53/56/787185356.db2.gz LSFPRLYNBWERNJ-CHWSQXEVSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C ZINC001133301872 787185486 /nfs/dbraw/zinc/18/54/86/787185486.db2.gz LSFPRLYNBWERNJ-OLZOCXBDSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133301873 787185616 /nfs/dbraw/zinc/18/56/16/787185616.db2.gz LSFPRLYNBWERNJ-QWHCGFSZSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133301874 787185675 /nfs/dbraw/zinc/18/56/75/787185675.db2.gz LSFPRLYNBWERNJ-STQMWFEESA-N 1 0 337.424 -1.132 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351384 787189200 /nfs/dbraw/zinc/18/92/00/787189200.db2.gz UNNZDAQMOCGLCQ-SECBINFHSA-N 1 0 338.368 -1.155 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351386 787188178 /nfs/dbraw/zinc/18/81/78/787188178.db2.gz UNNZDAQMOCGLCQ-VIFPVBQESA-N 1 0 338.368 -1.155 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467463 787188791 /nfs/dbraw/zinc/18/87/91/787188791.db2.gz JMEHRFANFCJQPH-AWEZNQCLSA-N 1 0 325.369 -1.627 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479045 787188309 /nfs/dbraw/zinc/18/83/09/787188309.db2.gz OXSAUHCVFAKSRZ-BMIGLBTASA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479063 787189214 /nfs/dbraw/zinc/18/92/14/787189214.db2.gz OXSAUHCVFAKSRZ-BONVTDFDSA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513231 787190064 /nfs/dbraw/zinc/19/00/64/787190064.db2.gz ODFCNMBDNRTGPZ-GHMZBOCLSA-N 1 0 330.385 -1.246 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513232 787190725 /nfs/dbraw/zinc/19/07/25/787190725.db2.gz ODFCNMBDNRTGPZ-MNOVXSKESA-N 1 0 330.385 -1.246 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513233 787190313 /nfs/dbraw/zinc/19/03/13/787190313.db2.gz ODFCNMBDNRTGPZ-QWRGUYRKSA-N 1 0 330.385 -1.246 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513234 787191066 /nfs/dbraw/zinc/19/10/66/787191066.db2.gz ODFCNMBDNRTGPZ-WDEREUQCSA-N 1 0 330.385 -1.246 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC001133592935 787192051 /nfs/dbraw/zinc/19/20/51/787192051.db2.gz GYOWSEIEPYWRDB-UHFFFAOYSA-N 1 0 329.360 -1.659 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)c1 ZINC001133597273 787191861 /nfs/dbraw/zinc/19/18/61/787191861.db2.gz LMTJHUNRFVJRLX-AWEZNQCLSA-N 1 0 344.371 -1.108 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)c1 ZINC001133597274 787192623 /nfs/dbraw/zinc/19/26/23/787192623.db2.gz LMTJHUNRFVJRLX-CQSZACIVSA-N 1 0 344.371 -1.108 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC001133597550 787192445 /nfs/dbraw/zinc/19/24/45/787192445.db2.gz STTTZABMMFNICV-GFCCVEGCSA-N 1 0 345.403 -1.025 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1 ZINC001133597551 787191988 /nfs/dbraw/zinc/19/19/88/787191988.db2.gz STTTZABMMFNICV-LBPRGKRZSA-N 1 0 345.403 -1.025 20 30 EAEDRO C#Cc1cncc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC001133597682 787192025 /nfs/dbraw/zinc/19/20/25/787192025.db2.gz XLDOXWLBMXDWOF-UHFFFAOYSA-N 1 0 341.371 -1.020 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133615659 787192630 /nfs/dbraw/zinc/19/26/30/787192630.db2.gz GJDHCUMJDQZGBT-UHFFFAOYSA-N 1 0 330.370 -2.321 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133617988 787193580 /nfs/dbraw/zinc/19/35/80/787193580.db2.gz CEKQHZMUJRPLRT-NXEZZACHSA-N 1 0 342.400 -1.461 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133618021 787193161 /nfs/dbraw/zinc/19/31/61/787193161.db2.gz CEKQHZMUJRPLRT-UWVGGRQHSA-N 1 0 342.400 -1.461 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133618022 787193600 /nfs/dbraw/zinc/19/36/00/787193600.db2.gz CEKQHZMUJRPLRT-VHSXEESVSA-N 1 0 342.400 -1.461 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133618023 787193906 /nfs/dbraw/zinc/19/39/06/787193906.db2.gz CEKQHZMUJRPLRT-ZJUUUORDSA-N 1 0 342.400 -1.461 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133618441 787193996 /nfs/dbraw/zinc/19/39/96/787193996.db2.gz IUEDTCOMLAFWRN-UHFFFAOYSA-N 1 0 329.342 -2.984 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133619502 787195161 /nfs/dbraw/zinc/19/51/61/787195161.db2.gz WQNGQBHIQFWVJU-UHFFFAOYSA-N 1 0 328.354 -2.874 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621443 787194792 /nfs/dbraw/zinc/19/47/92/787194792.db2.gz BIZXUQVAUXKPJK-MRVPVSSYSA-N 1 0 344.397 -1.933 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621444 787195171 /nfs/dbraw/zinc/19/51/71/787195171.db2.gz BIZXUQVAUXKPJK-QMMMGPOBSA-N 1 0 344.397 -1.933 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621645 787195151 /nfs/dbraw/zinc/19/51/51/787195151.db2.gz LBDGNFUKIUFXHE-UHFFFAOYSA-N 1 0 335.364 -1.284 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621705 787194964 /nfs/dbraw/zinc/19/49/64/787194964.db2.gz OBBKDSWSLHFRLQ-MRVPVSSYSA-N 1 0 342.381 -2.486 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621706 787196590 /nfs/dbraw/zinc/19/65/90/787196590.db2.gz OBBKDSWSLHFRLQ-QMMMGPOBSA-N 1 0 342.381 -2.486 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133680668 787197690 /nfs/dbraw/zinc/19/76/90/787197690.db2.gz BMTWRIULDHBCHH-LLVKDONJSA-N 1 0 339.396 -1.237 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133680669 787197072 /nfs/dbraw/zinc/19/70/72/787197072.db2.gz BMTWRIULDHBCHH-NSHDSACASA-N 1 0 339.396 -1.237 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708730 787198213 /nfs/dbraw/zinc/19/82/13/787198213.db2.gz ASKJVKKRKONRBG-UHFFFAOYSA-N 1 0 337.336 -1.290 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754103 787200290 /nfs/dbraw/zinc/20/02/90/787200290.db2.gz PTXLRLKVWGWMAV-AWEZNQCLSA-N 1 0 325.369 -1.770 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754104 787199062 /nfs/dbraw/zinc/19/90/62/787199062.db2.gz PTXLRLKVWGWMAV-CQSZACIVSA-N 1 0 325.369 -1.770 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754175 787200223 /nfs/dbraw/zinc/20/02/23/787200223.db2.gz RLACRKWNRXJSSL-BMIGLBTASA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754176 787200334 /nfs/dbraw/zinc/20/03/34/787200334.db2.gz RLACRKWNRXJSSL-BONVTDFDSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754177 787199639 /nfs/dbraw/zinc/19/96/39/787199639.db2.gz RLACRKWNRXJSSL-MEBBXXQBSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754178 787199829 /nfs/dbraw/zinc/19/98/29/787199829.db2.gz RLACRKWNRXJSSL-ZUZCIYMTSA-N 1 0 339.396 -1.381 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133771014 787199454 /nfs/dbraw/zinc/19/94/54/787199454.db2.gz KRBOETJIZSUGKT-NWDGAFQWSA-N 1 0 339.396 -1.513 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773765 787201832 /nfs/dbraw/zinc/20/18/32/787201832.db2.gz LKPKBFAHXBKOKT-VHSXEESVSA-N 1 0 341.368 -2.263 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781823 787203706 /nfs/dbraw/zinc/20/37/06/787203706.db2.gz RRCVJLSNMHHTMF-QWHCGFSZSA-N 1 0 338.408 -1.074 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787415 787203212 /nfs/dbraw/zinc/20/32/12/787203212.db2.gz IWSFOJFSDGCTFF-UPJWGTAASA-N 1 0 338.408 -1.534 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787416 787202828 /nfs/dbraw/zinc/20/28/28/787202828.db2.gz IWSFOJFSDGCTFF-XQQFMLRXSA-N 1 0 338.408 -1.534 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787482 787202433 /nfs/dbraw/zinc/20/24/33/787202433.db2.gz LWPOEYREAOLLEL-NEPJUHHUSA-N 1 0 326.397 -1.370 20 30 EAEDRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001133787604 787202650 /nfs/dbraw/zinc/20/26/50/787202650.db2.gz SFHMIOKBCZXVFX-MNOVXSKESA-N 1 0 325.369 -2.032 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133882975 787207761 /nfs/dbraw/zinc/20/77/61/787207761.db2.gz BZMJHEYGNWXBOC-GFCCVEGCSA-N 1 0 347.419 -1.020 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133882976 787206477 /nfs/dbraw/zinc/20/64/77/787206477.db2.gz BZMJHEYGNWXBOC-LBPRGKRZSA-N 1 0 347.419 -1.020 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133890492 787209428 /nfs/dbraw/zinc/20/94/28/787209428.db2.gz TUJSIJAVXDQOCW-UHFFFAOYSA-N 1 0 333.392 -1.408 20 30 EAEDRO Cn1c(C(=O)NCC[NH2+]CC(=O)NCC#N)c2n(c1=O)CCCC2 ZINC001133890824 787208881 /nfs/dbraw/zinc/20/88/81/787208881.db2.gz ZZUNNQPFPPVXKF-UHFFFAOYSA-N 1 0 334.380 -1.518 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914499 787210663 /nfs/dbraw/zinc/21/06/63/787210663.db2.gz KUKZEXOYLDWDIN-UHFFFAOYSA-N 1 0 337.384 -1.535 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133922101 787211014 /nfs/dbraw/zinc/21/10/14/787211014.db2.gz PTYAAFDVNWUNMY-WDEREUQCSA-N 1 0 339.396 -1.572 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133931602 787212828 /nfs/dbraw/zinc/21/28/28/787212828.db2.gz FZPIADYQDSLJOQ-MNOVXSKESA-N 1 0 339.396 -1.394 20 30 EAEDRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001133943326 787211766 /nfs/dbraw/zinc/21/17/66/787211766.db2.gz OFEGTTVWRVUHRE-CABCVRRESA-N 1 0 342.399 -1.019 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133946916 787212742 /nfs/dbraw/zinc/21/27/42/787212742.db2.gz MLNZFMKQJXSBTQ-AEJSXWLSSA-N 1 0 325.369 -1.786 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133946917 787211981 /nfs/dbraw/zinc/21/19/81/787211981.db2.gz MLNZFMKQJXSBTQ-BBBLOLIVSA-N 1 0 325.369 -1.786 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133951333 787211745 /nfs/dbraw/zinc/21/17/45/787211745.db2.gz UZVADPVDNNSKTM-UHFFFAOYSA-N 1 0 336.352 -1.555 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134022634 787216368 /nfs/dbraw/zinc/21/63/68/787216368.db2.gz SNQKZICAJSLAIN-NXEZZACHSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022635 787216432 /nfs/dbraw/zinc/21/64/32/787216432.db2.gz SNQKZICAJSLAIN-UWVGGRQHSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134022636 787217243 /nfs/dbraw/zinc/21/72/43/787217243.db2.gz SNQKZICAJSLAIN-VHSXEESVSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022637 787216861 /nfs/dbraw/zinc/21/68/61/787216861.db2.gz SNQKZICAJSLAIN-ZJUUUORDSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134036582 787217397 /nfs/dbraw/zinc/21/73/97/787217397.db2.gz DITSHYXCYMUWDW-JTQLQIEISA-N 1 0 337.384 -1.157 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134036583 787216052 /nfs/dbraw/zinc/21/60/52/787216052.db2.gz DITSHYXCYMUWDW-SNVBAGLBSA-N 1 0 337.384 -1.157 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134054347 787216610 /nfs/dbraw/zinc/21/66/10/787216610.db2.gz GMQQHKYPOMNNFK-UPJWGTAASA-N 1 0 339.392 -1.207 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134054348 787217364 /nfs/dbraw/zinc/21/73/64/787217364.db2.gz GMQQHKYPOMNNFK-XQQFMLRXSA-N 1 0 339.392 -1.207 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001134062040 787218097 /nfs/dbraw/zinc/21/80/97/787218097.db2.gz ORQXVQMFWNPBDO-OLZOCXBDSA-N 1 0 336.392 -1.119 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001134062304 787219276 /nfs/dbraw/zinc/21/92/76/787219276.db2.gz WFZOJWDSMJUTCH-UPJWGTAASA-N 1 0 340.424 -1.124 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001134062305 787219664 /nfs/dbraw/zinc/21/96/64/787219664.db2.gz WFZOJWDSMJUTCH-XQQFMLRXSA-N 1 0 340.424 -1.124 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134080501 787219200 /nfs/dbraw/zinc/21/92/00/787219200.db2.gz VLYCESGQFNKETC-LLVKDONJSA-N 1 0 331.376 -1.054 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134080502 787218808 /nfs/dbraw/zinc/21/88/08/787218808.db2.gz VLYCESGQFNKETC-NSHDSACASA-N 1 0 331.376 -1.054 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134102635 787220977 /nfs/dbraw/zinc/22/09/77/787220977.db2.gz UNNBLZSPNLSGHX-NEPJUHHUSA-N 1 0 333.396 -1.531 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134102636 787221377 /nfs/dbraw/zinc/22/13/77/787221377.db2.gz UNNBLZSPNLSGHX-NWDGAFQWSA-N 1 0 333.396 -1.531 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134102637 787220050 /nfs/dbraw/zinc/22/00/50/787220050.db2.gz UNNBLZSPNLSGHX-RYUDHWBXSA-N 1 0 333.396 -1.531 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134102638 787221140 /nfs/dbraw/zinc/22/11/40/787221140.db2.gz UNNBLZSPNLSGHX-VXGBXAGGSA-N 1 0 333.396 -1.531 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134109035 787220467 /nfs/dbraw/zinc/22/04/67/787220467.db2.gz AIXGBNBTEUVQQC-GHMZBOCLSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134109036 787220238 /nfs/dbraw/zinc/22/02/38/787220238.db2.gz AIXGBNBTEUVQQC-MNOVXSKESA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134109037 787220500 /nfs/dbraw/zinc/22/05/00/787220500.db2.gz AIXGBNBTEUVQQC-QWRGUYRKSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134109038 787221334 /nfs/dbraw/zinc/22/13/34/787221334.db2.gz AIXGBNBTEUVQQC-WDEREUQCSA-N 1 0 339.396 -1.381 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134124288 787222305 /nfs/dbraw/zinc/22/23/05/787222305.db2.gz VTXRMLBPDHLVNT-LLVKDONJSA-N 1 0 333.392 -1.192 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134124289 787222655 /nfs/dbraw/zinc/22/26/55/787222655.db2.gz VTXRMLBPDHLVNT-NSHDSACASA-N 1 0 333.392 -1.192 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1 ZINC001134127886 787221292 /nfs/dbraw/zinc/22/12/92/787221292.db2.gz UAAORUFHCYHMKE-CHWSQXEVSA-N 1 0 325.413 -1.169 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]CC(=O)NCC#N ZINC001134127887 787220963 /nfs/dbraw/zinc/22/09/63/787220963.db2.gz UAAORUFHCYHMKE-OLZOCXBDSA-N 1 0 325.413 -1.169 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1 ZINC001134127888 787222464 /nfs/dbraw/zinc/22/24/64/787222464.db2.gz UAAORUFHCYHMKE-QWHCGFSZSA-N 1 0 325.413 -1.169 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1 ZINC001134127889 787222040 /nfs/dbraw/zinc/22/20/40/787222040.db2.gz UAAORUFHCYHMKE-STQMWFEESA-N 1 0 325.413 -1.169 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134130666 787222275 /nfs/dbraw/zinc/22/22/75/787222275.db2.gz LBMUYMDLTRYYHQ-GHMZBOCLSA-N 1 0 339.396 -1.546 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134130667 787222565 /nfs/dbraw/zinc/22/25/65/787222565.db2.gz LBMUYMDLTRYYHQ-MNOVXSKESA-N 1 0 339.396 -1.546 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134130668 787222136 /nfs/dbraw/zinc/22/21/36/787222136.db2.gz LBMUYMDLTRYYHQ-QWRGUYRKSA-N 1 0 339.396 -1.546 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001134130669 787222635 /nfs/dbraw/zinc/22/26/35/787222635.db2.gz LBMUYMDLTRYYHQ-WDEREUQCSA-N 1 0 339.396 -1.546 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134131086 787222226 /nfs/dbraw/zinc/22/22/26/787222226.db2.gz QJKBCXJPCWFPDN-NEPJUHHUSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134131087 787222557 /nfs/dbraw/zinc/22/25/57/787222557.db2.gz QJKBCXJPCWFPDN-NWDGAFQWSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134131088 787222699 /nfs/dbraw/zinc/22/26/99/787222699.db2.gz QJKBCXJPCWFPDN-RYUDHWBXSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001134131089 787222322 /nfs/dbraw/zinc/22/23/22/787222322.db2.gz QJKBCXJPCWFPDN-VXGBXAGGSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134131230 787222327 /nfs/dbraw/zinc/22/23/27/787222327.db2.gz SJPYBZKLWWVLFJ-GHMZBOCLSA-N 1 0 336.396 -1.379 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134131231 787221985 /nfs/dbraw/zinc/22/19/85/787221985.db2.gz SJPYBZKLWWVLFJ-MNOVXSKESA-N 1 0 336.396 -1.379 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134131232 787222075 /nfs/dbraw/zinc/22/20/75/787222075.db2.gz SJPYBZKLWWVLFJ-QWRGUYRKSA-N 1 0 336.396 -1.379 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134131233 787222062 /nfs/dbraw/zinc/22/20/62/787222062.db2.gz SJPYBZKLWWVLFJ-WDEREUQCSA-N 1 0 336.396 -1.379 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134131598 787222509 /nfs/dbraw/zinc/22/25/09/787222509.db2.gz YTMYSLVANSYBJK-NXEZZACHSA-N 1 0 325.369 -1.806 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134131599 787222166 /nfs/dbraw/zinc/22/21/66/787222166.db2.gz YTMYSLVANSYBJK-UWVGGRQHSA-N 1 0 325.369 -1.806 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134131600 787222176 /nfs/dbraw/zinc/22/21/76/787222176.db2.gz YTMYSLVANSYBJK-VHSXEESVSA-N 1 0 325.369 -1.806 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134131601 787222162 /nfs/dbraw/zinc/22/21/62/787222162.db2.gz YTMYSLVANSYBJK-ZJUUUORDSA-N 1 0 325.369 -1.806 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150544 787221972 /nfs/dbraw/zinc/22/19/72/787221972.db2.gz JBGAZLCHQFZVER-GFCCVEGCSA-N 1 0 331.376 -1.345 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150545 787222007 /nfs/dbraw/zinc/22/20/07/787222007.db2.gz JBGAZLCHQFZVER-LBPRGKRZSA-N 1 0 331.376 -1.345 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168892 787224104 /nfs/dbraw/zinc/22/41/04/787224104.db2.gz XJUXAVLBGXBOGD-LLVKDONJSA-N 1 0 327.385 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134168893 787223355 /nfs/dbraw/zinc/22/33/55/787223355.db2.gz XJUXAVLBGXBOGD-NSHDSACASA-N 1 0 327.385 -1.381 20 30 EAEDRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134262010 787226405 /nfs/dbraw/zinc/22/64/05/787226405.db2.gz UMYOVEUKUBLOGX-GHMZBOCLSA-N 1 0 326.401 -1.182 20 30 EAEDRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134262011 787226207 /nfs/dbraw/zinc/22/62/07/787226207.db2.gz UMYOVEUKUBLOGX-MNOVXSKESA-N 1 0 326.401 -1.182 20 30 EAEDRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134262012 787226280 /nfs/dbraw/zinc/22/62/80/787226280.db2.gz UMYOVEUKUBLOGX-QWRGUYRKSA-N 1 0 326.401 -1.182 20 30 EAEDRO CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134262013 787226184 /nfs/dbraw/zinc/22/61/84/787226184.db2.gz UMYOVEUKUBLOGX-WDEREUQCSA-N 1 0 326.401 -1.182 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001134262222 787226221 /nfs/dbraw/zinc/22/62/21/787226221.db2.gz XJAUELYCKSFILN-NEPJUHHUSA-N 1 0 325.413 -1.072 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001134262223 787226425 /nfs/dbraw/zinc/22/64/25/787226425.db2.gz XJAUELYCKSFILN-NWDGAFQWSA-N 1 0 325.413 -1.072 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001134262224 787226298 /nfs/dbraw/zinc/22/62/98/787226298.db2.gz XJAUELYCKSFILN-RYUDHWBXSA-N 1 0 325.413 -1.072 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001134262225 787226227 /nfs/dbraw/zinc/22/62/27/787226227.db2.gz XJAUELYCKSFILN-VXGBXAGGSA-N 1 0 325.413 -1.072 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351151 787227238 /nfs/dbraw/zinc/22/72/38/787227238.db2.gz CLFBGPVNMWLLMJ-NEPJUHHUSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351152 787227598 /nfs/dbraw/zinc/22/75/98/787227598.db2.gz CLFBGPVNMWLLMJ-NWDGAFQWSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351153 787227459 /nfs/dbraw/zinc/22/74/59/787227459.db2.gz CLFBGPVNMWLLMJ-RYUDHWBXSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351154 787227575 /nfs/dbraw/zinc/22/75/75/787227575.db2.gz CLFBGPVNMWLLMJ-VXGBXAGGSA-N 1 0 346.453 -1.452 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352543 787228719 /nfs/dbraw/zinc/22/87/19/787228719.db2.gz MKFLWHCZAYRTKE-LLVKDONJSA-N 1 0 347.441 -1.608 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352544 787228835 /nfs/dbraw/zinc/22/88/35/787228835.db2.gz MKFLWHCZAYRTKE-NSHDSACASA-N 1 0 347.441 -1.608 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134352611 787229318 /nfs/dbraw/zinc/22/93/18/787229318.db2.gz RRYKUAIBVDQXNO-GHMZBOCLSA-N 1 0 347.441 -1.562 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134352612 787228507 /nfs/dbraw/zinc/22/85/07/787228507.db2.gz RRYKUAIBVDQXNO-MNOVXSKESA-N 1 0 347.441 -1.562 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134352613 787229197 /nfs/dbraw/zinc/22/91/97/787229197.db2.gz RRYKUAIBVDQXNO-QWRGUYRKSA-N 1 0 347.441 -1.562 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134352614 787229011 /nfs/dbraw/zinc/22/90/11/787229011.db2.gz RRYKUAIBVDQXNO-WDEREUQCSA-N 1 0 347.441 -1.562 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353830 787228425 /nfs/dbraw/zinc/22/84/25/787228425.db2.gz XJYKIXJKVBFCRG-SECBINFHSA-N 1 0 349.413 -2.358 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353831 787228905 /nfs/dbraw/zinc/22/89/05/787228905.db2.gz XJYKIXJKVBFCRG-VIFPVBQESA-N 1 0 349.413 -2.358 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001134353924 787229335 /nfs/dbraw/zinc/22/93/35/787229335.db2.gz YHESFNBQONQAIH-GHMZBOCLSA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001134353928 787228631 /nfs/dbraw/zinc/22/86/31/787228631.db2.gz YHESFNBQONQAIH-MNOVXSKESA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001134353930 787228822 /nfs/dbraw/zinc/22/88/22/787228822.db2.gz YHESFNBQONQAIH-QWRGUYRKSA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001134353931 787228732 /nfs/dbraw/zinc/22/87/32/787228732.db2.gz YHESFNBQONQAIH-WDEREUQCSA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360740 787229678 /nfs/dbraw/zinc/22/96/78/787229678.db2.gz ZNEPAEKXAMEAGI-GFCCVEGCSA-N 1 0 346.453 -1.170 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360741 787229994 /nfs/dbraw/zinc/22/99/94/787229994.db2.gz ZNEPAEKXAMEAGI-LBPRGKRZSA-N 1 0 346.453 -1.170 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134370711 787231643 /nfs/dbraw/zinc/23/16/43/787231643.db2.gz WPHIBIKXSGJVPK-UHFFFAOYSA-N 1 0 329.360 -1.079 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399406 787233433 /nfs/dbraw/zinc/23/34/33/787233433.db2.gz LSBOWPDHPBNPEK-GHMZBOCLSA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399407 787232852 /nfs/dbraw/zinc/23/28/52/787232852.db2.gz LSBOWPDHPBNPEK-MNOVXSKESA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399408 787232715 /nfs/dbraw/zinc/23/27/15/787232715.db2.gz LSBOWPDHPBNPEK-QWRGUYRKSA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399409 787233058 /nfs/dbraw/zinc/23/30/58/787233058.db2.gz LSBOWPDHPBNPEK-WDEREUQCSA-N 1 0 349.395 -2.001 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401958 787232810 /nfs/dbraw/zinc/23/28/10/787232810.db2.gz YDKXSOBDWQDUET-NEPJUHHUSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401959 787233047 /nfs/dbraw/zinc/23/30/47/787233047.db2.gz YDKXSOBDWQDUET-NWDGAFQWSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401960 787233899 /nfs/dbraw/zinc/23/38/99/787233899.db2.gz YDKXSOBDWQDUET-RYUDHWBXSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401961 787233747 /nfs/dbraw/zinc/23/37/47/787233747.db2.gz YDKXSOBDWQDUET-VXGBXAGGSA-N 1 0 336.396 -1.100 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134427119 787232818 /nfs/dbraw/zinc/23/28/18/787232818.db2.gz KSIPZAINWUUTRV-GHMZBOCLSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134427120 787233326 /nfs/dbraw/zinc/23/33/26/787233326.db2.gz KSIPZAINWUUTRV-MNOVXSKESA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134427121 787233561 /nfs/dbraw/zinc/23/35/61/787233561.db2.gz KSIPZAINWUUTRV-QWRGUYRKSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134427122 787234026 /nfs/dbraw/zinc/23/40/26/787234026.db2.gz KSIPZAINWUUTRV-WDEREUQCSA-N 1 0 329.422 -1.347 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CS(=O)(=O)C1 ZINC001134428027 787233653 /nfs/dbraw/zinc/23/36/53/787233653.db2.gz YVQJYMASJYHDFO-NXEZZACHSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CS(=O)(=O)C1 ZINC001134428028 787232807 /nfs/dbraw/zinc/23/28/07/787232807.db2.gz YVQJYMASJYHDFO-UWVGGRQHSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CS(=O)(=O)C1 ZINC001134428029 787234032 /nfs/dbraw/zinc/23/40/32/787234032.db2.gz YVQJYMASJYHDFO-VHSXEESVSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]CC(=O)NCC#N ZINC001134428030 787233157 /nfs/dbraw/zinc/23/31/57/787233157.db2.gz YVQJYMASJYHDFO-ZJUUUORDSA-N 1 0 330.410 -1.456 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456166 787236973 /nfs/dbraw/zinc/23/69/73/787236973.db2.gz OYGJXEVWXHPZSL-NSHDSACASA-N 1 0 337.380 -1.509 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461069 787236382 /nfs/dbraw/zinc/23/63/82/787236382.db2.gz NEJFIIKGIYYLRJ-JTQLQIEISA-N 1 0 338.368 -1.948 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461142 787236091 /nfs/dbraw/zinc/23/60/91/787236091.db2.gz QLKBCMRGOJMLRE-QMMMGPOBSA-N 1 0 340.340 -2.698 20 30 EAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461450 787234826 /nfs/dbraw/zinc/23/48/26/787234826.db2.gz VVOLBGSSQRJJMW-NSHDSACASA-N 1 0 339.396 -1.285 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C1=O ZINC001134487016 787237997 /nfs/dbraw/zinc/23/79/97/787237997.db2.gz FXOKEDNQKSBWMX-LLVKDONJSA-N 1 0 347.441 -2.125 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)C1=O ZINC001134487017 787237673 /nfs/dbraw/zinc/23/76/73/787237673.db2.gz FXOKEDNQKSBWMX-NSHDSACASA-N 1 0 347.441 -2.125 20 30 EAEDRO C=C(Br)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487279 787237696 /nfs/dbraw/zinc/23/76/96/787237696.db2.gz LDCDHUSUIOLMBX-UHFFFAOYSA-N 1 0 343.247 -1.003 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134490786 787241041 /nfs/dbraw/zinc/24/10/41/787241041.db2.gz AHTBBOKCNDQPSY-JTQLQIEISA-N 1 0 333.414 -2.774 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134490787 787241140 /nfs/dbraw/zinc/24/11/40/787241140.db2.gz AHTBBOKCNDQPSY-SNVBAGLBSA-N 1 0 333.414 -2.774 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491212 787240754 /nfs/dbraw/zinc/24/07/54/787240754.db2.gz QVVSJLJVZNKMGB-JTQLQIEISA-N 1 0 335.430 -2.221 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491213 787240721 /nfs/dbraw/zinc/24/07/21/787240721.db2.gz QVVSJLJVZNKMGB-SNVBAGLBSA-N 1 0 335.430 -2.221 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134500841 787241895 /nfs/dbraw/zinc/24/18/95/787241895.db2.gz VXPPEZQWWPWRJM-GHMZBOCLSA-N 1 0 347.441 -1.562 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134500842 787241525 /nfs/dbraw/zinc/24/15/25/787241525.db2.gz VXPPEZQWWPWRJM-MNOVXSKESA-N 1 0 347.441 -1.562 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134500843 787242187 /nfs/dbraw/zinc/24/21/87/787242187.db2.gz VXPPEZQWWPWRJM-QWRGUYRKSA-N 1 0 347.441 -1.562 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134500844 787242356 /nfs/dbraw/zinc/24/23/56/787242356.db2.gz VXPPEZQWWPWRJM-WDEREUQCSA-N 1 0 347.441 -1.562 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500905 787242200 /nfs/dbraw/zinc/24/22/00/787242200.db2.gz WSJHMAAXEWDAPQ-NEPJUHHUSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500906 787241969 /nfs/dbraw/zinc/24/19/69/787241969.db2.gz WSJHMAAXEWDAPQ-NWDGAFQWSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500907 787241984 /nfs/dbraw/zinc/24/19/84/787241984.db2.gz WSJHMAAXEWDAPQ-RYUDHWBXSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134500908 787241908 /nfs/dbraw/zinc/24/19/08/787241908.db2.gz WSJHMAAXEWDAPQ-VXGBXAGGSA-N 1 0 346.453 -1.452 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCNS(C)(=O)=O ZINC001134504801 787239857 /nfs/dbraw/zinc/23/98/57/787239857.db2.gz KRTVSQCGKFSVED-GHMZBOCLSA-N 1 0 347.441 -1.562 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CCNS(C)(=O)=O)[NH2+]CC(=O)NCC#N ZINC001134504802 787239512 /nfs/dbraw/zinc/23/95/12/787239512.db2.gz KRTVSQCGKFSVED-MNOVXSKESA-N 1 0 347.441 -1.562 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCNS(C)(=O)=O ZINC001134504803 787239026 /nfs/dbraw/zinc/23/90/26/787239026.db2.gz KRTVSQCGKFSVED-QWRGUYRKSA-N 1 0 347.441 -1.562 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCNS(C)(=O)=O ZINC001134504804 787239387 /nfs/dbraw/zinc/23/93/87/787239387.db2.gz KRTVSQCGKFSVED-WDEREUQCSA-N 1 0 347.441 -1.562 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505413 787239682 /nfs/dbraw/zinc/23/96/82/787239682.db2.gz PTCQBEIZHMFKQR-NEPJUHHUSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505414 787239222 /nfs/dbraw/zinc/23/92/22/787239222.db2.gz PTCQBEIZHMFKQR-NWDGAFQWSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505415 787239882 /nfs/dbraw/zinc/23/98/82/787239882.db2.gz PTCQBEIZHMFKQR-RYUDHWBXSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505416 787239081 /nfs/dbraw/zinc/23/90/81/787239081.db2.gz PTCQBEIZHMFKQR-VXGBXAGGSA-N 1 0 346.453 -1.452 20 30 EAEDRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134508979 787240218 /nfs/dbraw/zinc/24/02/18/787240218.db2.gz LFSNKVRZBGKVSF-NEPJUHHUSA-N 1 0 341.412 -1.396 20 30 EAEDRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134508980 787240903 /nfs/dbraw/zinc/24/09/03/787240903.db2.gz LFSNKVRZBGKVSF-NWDGAFQWSA-N 1 0 341.412 -1.396 20 30 EAEDRO COCC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134508981 787240836 /nfs/dbraw/zinc/24/08/36/787240836.db2.gz LFSNKVRZBGKVSF-RYUDHWBXSA-N 1 0 341.412 -1.396 20 30 EAEDRO COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134508982 787240337 /nfs/dbraw/zinc/24/03/37/787240337.db2.gz LFSNKVRZBGKVSF-VXGBXAGGSA-N 1 0 341.412 -1.396 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509335 787240936 /nfs/dbraw/zinc/24/09/36/787240936.db2.gz QKTMRGZQQNTOBO-CHWSQXEVSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509336 787240851 /nfs/dbraw/zinc/24/08/51/787240851.db2.gz QKTMRGZQQNTOBO-OLZOCXBDSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509337 787240710 /nfs/dbraw/zinc/24/07/10/787240710.db2.gz QKTMRGZQQNTOBO-QWHCGFSZSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509338 787240349 /nfs/dbraw/zinc/24/03/49/787240349.db2.gz QKTMRGZQQNTOBO-STQMWFEESA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509487 787240681 /nfs/dbraw/zinc/24/06/81/787240681.db2.gz TVBLNQDBPYGMJG-NEPJUHHUSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509488 787240985 /nfs/dbraw/zinc/24/09/85/787240985.db2.gz TVBLNQDBPYGMJG-NWDGAFQWSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509489 787240811 /nfs/dbraw/zinc/24/08/11/787240811.db2.gz TVBLNQDBPYGMJG-RYUDHWBXSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509490 787241052 /nfs/dbraw/zinc/24/10/52/787241052.db2.gz TVBLNQDBPYGMJG-VXGBXAGGSA-N 1 0 346.453 -1.500 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN(C)S(C)(=O)=O ZINC001134509671 787240880 /nfs/dbraw/zinc/24/08/80/787240880.db2.gz XCIQEDULNGDXRG-GHMZBOCLSA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)[NH2+]CC(=O)NCC#N ZINC001134509672 787241116 /nfs/dbraw/zinc/24/11/16/787241116.db2.gz XCIQEDULNGDXRG-MNOVXSKESA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN(C)S(C)(=O)=O ZINC001134509673 787241061 /nfs/dbraw/zinc/24/10/61/787241061.db2.gz XCIQEDULNGDXRG-QWRGUYRKSA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN(C)S(C)(=O)=O ZINC001134509674 787240912 /nfs/dbraw/zinc/24/09/12/787240912.db2.gz XCIQEDULNGDXRG-WDEREUQCSA-N 1 0 347.441 -1.610 20 30 EAEDRO COCC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134518505 787242343 /nfs/dbraw/zinc/24/23/43/787242343.db2.gz FHFFNWPXWUZEFX-NEPJUHHUSA-N 1 0 341.412 -1.348 20 30 EAEDRO COCC(=O)NCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134518506 787241669 /nfs/dbraw/zinc/24/16/69/787241669.db2.gz FHFFNWPXWUZEFX-NWDGAFQWSA-N 1 0 341.412 -1.348 20 30 EAEDRO COCC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134518507 787241625 /nfs/dbraw/zinc/24/16/25/787241625.db2.gz FHFFNWPXWUZEFX-RYUDHWBXSA-N 1 0 341.412 -1.348 20 30 EAEDRO COCC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134518508 787241961 /nfs/dbraw/zinc/24/19/61/787241961.db2.gz FHFFNWPXWUZEFX-VXGBXAGGSA-N 1 0 341.412 -1.348 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(=O)COC ZINC001134521062 787241955 /nfs/dbraw/zinc/24/19/55/787241955.db2.gz VUEVDKYUZJPOEU-CHWSQXEVSA-N 1 0 340.424 -1.239 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCNC(=O)COC ZINC001134521063 787241610 /nfs/dbraw/zinc/24/16/10/787241610.db2.gz VUEVDKYUZJPOEU-OLZOCXBDSA-N 1 0 340.424 -1.239 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(=O)COC ZINC001134521064 787242353 /nfs/dbraw/zinc/24/23/53/787242353.db2.gz VUEVDKYUZJPOEU-QWHCGFSZSA-N 1 0 340.424 -1.239 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(=O)COC ZINC001134521065 787242205 /nfs/dbraw/zinc/24/22/05/787242205.db2.gz VUEVDKYUZJPOEU-STQMWFEESA-N 1 0 340.424 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1ccc(C)cc1=O ZINC001134540910 787243921 /nfs/dbraw/zinc/24/39/21/787243921.db2.gz YICMQXGLLSGQMZ-UHFFFAOYSA-N 1 0 349.391 -1.126 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN1CCOCC1=O)[NH2+]CC(=O)NCC#N ZINC001134600882 787246974 /nfs/dbraw/zinc/24/69/74/787246974.db2.gz AKXQQHGBROAGOA-NEPJUHHUSA-N 1 0 339.396 -1.642 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1=O ZINC001134600883 787246046 /nfs/dbraw/zinc/24/60/46/787246046.db2.gz AKXQQHGBROAGOA-NWDGAFQWSA-N 1 0 339.396 -1.642 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1=O ZINC001134600884 787246995 /nfs/dbraw/zinc/24/69/95/787246995.db2.gz AKXQQHGBROAGOA-RYUDHWBXSA-N 1 0 339.396 -1.642 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1=O ZINC001134600885 787246882 /nfs/dbraw/zinc/24/68/82/787246882.db2.gz AKXQQHGBROAGOA-VXGBXAGGSA-N 1 0 339.396 -1.642 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001134601490 787246697 /nfs/dbraw/zinc/24/66/97/787246697.db2.gz GOLLIKJOYGCLJU-CHWSQXEVSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134601491 787246432 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C#CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134610448 787245029 /nfs/dbraw/zinc/24/50/29/787245029.db2.gz WCQFBFALOTVCPX-UHFFFAOYSA-N 1 0 332.426 -1.887 20 30 EAEDRO CCN(CC)S(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134610657 787244590 /nfs/dbraw/zinc/24/45/90/787244590.db2.gz YMMSCKFEJUKHGM-UHFFFAOYSA-N 1 0 333.414 -1.996 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134613197 787245071 /nfs/dbraw/zinc/24/50/71/787245071.db2.gz JBOUEARPTIXZSD-GFCCVEGCSA-N 1 0 346.453 -1.498 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134613198 787244469 /nfs/dbraw/zinc/24/44/69/787244469.db2.gz JBOUEARPTIXZSD-LBPRGKRZSA-N 1 0 346.453 -1.498 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(N2CCOCC2)CCCC1 ZINC001134614397 787245404 /nfs/dbraw/zinc/24/54/04/787245404.db2.gz XPCQNUYHENQNJL-UHFFFAOYSA-N 1 0 337.424 -1.023 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134636274 787246784 /nfs/dbraw/zinc/24/67/84/787246784.db2.gz 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EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCS(C)(=O)=O ZINC001134745069 787256695 /nfs/dbraw/zinc/25/66/95/787256695.db2.gz RDKOBGQPMWTRSG-WDEREUQCSA-N 1 0 332.426 -1.066 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768137 787257563 /nfs/dbraw/zinc/25/75/63/787257563.db2.gz BQJOXAVGYCRCRW-CHWSQXEVSA-N 1 0 340.424 -1.239 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768138 787257602 /nfs/dbraw/zinc/25/76/02/787257602.db2.gz BQJOXAVGYCRCRW-OLZOCXBDSA-N 1 0 340.424 -1.239 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768139 787257628 /nfs/dbraw/zinc/25/76/28/787257628.db2.gz BQJOXAVGYCRCRW-QWHCGFSZSA-N 1 0 340.424 -1.239 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134768140 787257632 /nfs/dbraw/zinc/25/76/32/787257632.db2.gz BQJOXAVGYCRCRW-STQMWFEESA-N 1 0 340.424 -1.239 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787896 787258453 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337.384 -1.906 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncn(C)c1=O ZINC001134787978 787258801 /nfs/dbraw/zinc/25/88/01/787258801.db2.gz TZECJMYUVOEVSR-QWRGUYRKSA-N 1 0 337.384 -1.906 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncn(C)c1=O ZINC001134787979 787258659 /nfs/dbraw/zinc/25/86/59/787258659.db2.gz TZECJMYUVOEVSR-WDEREUQCSA-N 1 0 337.384 -1.906 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788220 787258182 /nfs/dbraw/zinc/25/81/82/787258182.db2.gz XSUWNFHLMFLZNG-NEPJUHHUSA-N 1 0 338.412 -1.243 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788221 787258624 /nfs/dbraw/zinc/25/86/24/787258624.db2.gz XSUWNFHLMFLZNG-NWDGAFQWSA-N 1 0 338.412 -1.243 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788222 787258366 /nfs/dbraw/zinc/25/83/66/787258366.db2.gz XSUWNFHLMFLZNG-RYUDHWBXSA-N 1 0 338.412 -1.243 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788223 787258754 /nfs/dbraw/zinc/25/87/54/787258754.db2.gz XSUWNFHLMFLZNG-VXGBXAGGSA-N 1 0 338.412 -1.243 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC1CS(=O)(=O)C1 ZINC001134804372 787258399 /nfs/dbraw/zinc/25/83/99/787258399.db2.gz HIOUYAFCCGLRIX-GHMZBOCLSA-N 1 0 344.437 -1.066 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CC1CS(=O)(=O)C1)[NH2+]CC(=O)NCC#N ZINC001134804373 787258326 /nfs/dbraw/zinc/25/83/26/787258326.db2.gz HIOUYAFCCGLRIX-MNOVXSKESA-N 1 0 344.437 -1.066 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC1CS(=O)(=O)C1 ZINC001134804374 787258835 /nfs/dbraw/zinc/25/88/35/787258835.db2.gz HIOUYAFCCGLRIX-QWRGUYRKSA-N 1 0 344.437 -1.066 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC1CS(=O)(=O)C1 ZINC001134804375 787258717 /nfs/dbraw/zinc/25/87/17/787258717.db2.gz HIOUYAFCCGLRIX-WDEREUQCSA-N 1 0 344.437 -1.066 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134816658 787260888 /nfs/dbraw/zinc/26/08/88/787260888.db2.gz GPRHXFUCLSXVKH-GFCCVEGCSA-N 1 0 339.396 -1.285 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134816659 787261272 /nfs/dbraw/zinc/26/12/72/787261272.db2.gz GPRHXFUCLSXVKH-LBPRGKRZSA-N 1 0 339.396 -1.285 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134817106 787260720 /nfs/dbraw/zinc/26/07/20/787260720.db2.gz NPAJRMAWAFPIQG-GFCCVEGCSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134817107 787260740 /nfs/dbraw/zinc/26/07/40/787260740.db2.gz NPAJRMAWAFPIQG-LBPRGKRZSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001134817398 787261067 /nfs/dbraw/zinc/26/10/67/787261067.db2.gz WDURBWFWKZHXOB-LLVKDONJSA-N 1 0 327.385 -1.381 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001134817399 787261470 /nfs/dbraw/zinc/26/14/70/787261470.db2.gz WDURBWFWKZHXOB-NSHDSACASA-N 1 0 327.385 -1.381 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001134820810 787261285 /nfs/dbraw/zinc/26/12/85/787261285.db2.gz LOEZKFLSQCTGLN-NXEZZACHSA-N 1 0 332.351 -1.010 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001134820814 787261218 /nfs/dbraw/zinc/26/12/18/787261218.db2.gz LOEZKFLSQCTGLN-UWVGGRQHSA-N 1 0 332.351 -1.010 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001134820816 787260597 /nfs/dbraw/zinc/26/05/97/787260597.db2.gz LOEZKFLSQCTGLN-VHSXEESVSA-N 1 0 332.351 -1.010 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001134820817 787260685 /nfs/dbraw/zinc/26/06/85/787260685.db2.gz LOEZKFLSQCTGLN-ZJUUUORDSA-N 1 0 332.351 -1.010 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134821563 787258145 /nfs/dbraw/zinc/25/81/45/787258145.db2.gz PQZBWAMDFDTHBU-GXSJLCMTSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134821564 787258488 /nfs/dbraw/zinc/25/84/88/787258488.db2.gz PQZBWAMDFDTHBU-KOLCDFICSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134821565 787258509 /nfs/dbraw/zinc/25/85/09/787258509.db2.gz PQZBWAMDFDTHBU-MWLCHTKSSA-N 1 0 327.385 -1.254 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134821566 787258504 /nfs/dbraw/zinc/25/85/04/787258504.db2.gz PQZBWAMDFDTHBU-ONGXEEELSA-N 1 0 327.385 -1.254 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)C(=O)NCC(F)F)[NH2+]CC(=O)NCC#N ZINC001134822401 787258699 /nfs/dbraw/zinc/25/86/99/787258699.db2.gz VWWWFFFJXLJFNK-BDAKNGLRSA-N 1 0 333.339 -1.120 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(=O)NCC(F)F ZINC001134822402 787258565 /nfs/dbraw/zinc/25/85/65/787258565.db2.gz VWWWFFFJXLJFNK-DTWKUNHWSA-N 1 0 333.339 -1.120 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(=O)NCC(F)F ZINC001134822403 787258545 /nfs/dbraw/zinc/25/85/45/787258545.db2.gz VWWWFFFJXLJFNK-IUCAKERBSA-N 1 0 333.339 -1.120 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(=O)NCC(F)F ZINC001134822404 787258889 /nfs/dbraw/zinc/25/88/89/787258889.db2.gz VWWWFFFJXLJFNK-RKDXNWHRSA-N 1 0 333.339 -1.120 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1=O ZINC001134829417 787260113 /nfs/dbraw/zinc/26/01/13/787260113.db2.gz JFRRBJVLSXOOGY-NEPJUHHUSA-N 1 0 339.396 -2.141 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1=O ZINC001134829418 787259385 /nfs/dbraw/zinc/25/93/85/787259385.db2.gz JFRRBJVLSXOOGY-RYUDHWBXSA-N 1 0 339.396 -2.141 20 30 EAEDRO C=C(Br)C[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829863 787260002 /nfs/dbraw/zinc/26/00/02/787260002.db2.gz PRXANBWOJDBENX-VIFPVBQESA-N 1 0 335.202 -1.019 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836158 787261541 /nfs/dbraw/zinc/26/15/41/787261541.db2.gz DDYFPQZWPIAEIK-KOLCDFICSA-N 1 0 325.369 -2.790 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836159 787261451 /nfs/dbraw/zinc/26/14/51/787261451.db2.gz DDYFPQZWPIAEIK-ONGXEEELSA-N 1 0 325.369 -2.790 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836463 787260983 /nfs/dbraw/zinc/26/09/83/787260983.db2.gz JPHXKWBZUPEIPZ-KOLCDFICSA-N 1 0 327.385 -2.237 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836464 787260662 /nfs/dbraw/zinc/26/06/62/787260662.db2.gz JPHXKWBZUPEIPZ-ONGXEEELSA-N 1 0 327.385 -2.237 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cncc(OC)n1 ZINC001134837125 787262535 /nfs/dbraw/zinc/26/25/35/787262535.db2.gz SKMMJAAMAFZTIJ-UHFFFAOYSA-N 1 0 336.352 -1.184 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN1CCCNC1=O)[NH2+]CC(=O)NCC#N ZINC001134854747 787261859 /nfs/dbraw/zinc/26/18/59/787261859.db2.gz SONOKCRGYQKNGL-NEPJUHHUSA-N 1 0 338.412 -1.086 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCNC1=O ZINC001134854748 787262251 /nfs/dbraw/zinc/26/22/51/787262251.db2.gz SONOKCRGYQKNGL-NWDGAFQWSA-N 1 0 338.412 -1.086 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCNC1=O ZINC001134854749 787262597 /nfs/dbraw/zinc/26/25/97/787262597.db2.gz SONOKCRGYQKNGL-RYUDHWBXSA-N 1 0 338.412 -1.086 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCNC1=O ZINC001134854750 787262515 /nfs/dbraw/zinc/26/25/15/787262515.db2.gz SONOKCRGYQKNGL-VXGBXAGGSA-N 1 0 338.412 -1.086 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134898791 787264867 /nfs/dbraw/zinc/26/48/67/787264867.db2.gz RYHRMBJMOQCFCV-NEPJUHHUSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134898792 787265073 /nfs/dbraw/zinc/26/50/73/787265073.db2.gz RYHRMBJMOQCFCV-NWDGAFQWSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134898793 787264924 /nfs/dbraw/zinc/26/49/24/787264924.db2.gz RYHRMBJMOQCFCV-RYUDHWBXSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134898794 787265122 /nfs/dbraw/zinc/26/51/22/787265122.db2.gz RYHRMBJMOQCFCV-VXGBXAGGSA-N 1 0 349.391 -1.429 20 30 EAEDRO COCC(=O)N[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001134911186 787265263 /nfs/dbraw/zinc/26/52/63/787265263.db2.gz MHQKFLVZRVYUPF-ZDUSSCGKSA-N 1 0 327.385 -1.881 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001134911261 787265094 /nfs/dbraw/zinc/26/50/94/787265094.db2.gz PSICARJDJXEDKG-AWEZNQCLSA-N 1 0 328.413 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001134911362 787264825 /nfs/dbraw/zinc/26/48/25/787264825.db2.gz UXUGQQQBPKFAHE-AWEZNQCLSA-N 1 0 326.397 -1.771 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001134913237 787265139 /nfs/dbraw/zinc/26/51/39/787265139.db2.gz MISLTKLJLPSITH-JSGCOSHPSA-N 1 0 340.424 -1.383 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001134913238 787264417 /nfs/dbraw/zinc/26/44/17/787264417.db2.gz MISLTKLJLPSITH-OCCSQVGLSA-N 1 0 340.424 -1.383 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC001134947121 787266339 /nfs/dbraw/zinc/26/63/39/787266339.db2.gz AFOPSQPSPORJBJ-UHFFFAOYSA-N 1 0 334.351 -1.103 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134947578 787266148 /nfs/dbraw/zinc/26/61/48/787266148.db2.gz LRIITWKIJUQWSE-JTQLQIEISA-N 1 0 327.385 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134947579 787266909 /nfs/dbraw/zinc/26/69/09/787266909.db2.gz LRIITWKIJUQWSE-SNVBAGLBSA-N 1 0 327.385 -1.429 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC001134947828 787266064 /nfs/dbraw/zinc/26/60/64/787266064.db2.gz PGNFBSVWUJYOKO-UHFFFAOYSA-N 1 0 335.339 -1.213 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963393 787268083 /nfs/dbraw/zinc/26/80/83/787268083.db2.gz HSPNWUWKOGEFQU-JTQLQIEISA-N 1 0 332.426 -1.842 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963394 787267955 /nfs/dbraw/zinc/26/79/55/787267955.db2.gz HSPNWUWKOGEFQU-SNVBAGLBSA-N 1 0 332.426 -1.842 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963458 787267304 /nfs/dbraw/zinc/26/73/04/787267304.db2.gz KTUDAKUDXDNVSW-JTQLQIEISA-N 1 0 334.442 -1.289 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963459 787267972 /nfs/dbraw/zinc/26/79/72/787267972.db2.gz KTUDAKUDXDNVSW-SNVBAGLBSA-N 1 0 334.442 -1.289 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963725 787267609 /nfs/dbraw/zinc/26/76/09/787267609.db2.gz WZFAXIALKVWIQS-LLVKDONJSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)C1=O ZINC001134963726 787267232 /nfs/dbraw/zinc/26/72/32/787267232.db2.gz WZFAXIALKVWIQS-NSHDSACASA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)nn1 ZINC001134969050 787267767 /nfs/dbraw/zinc/26/77/67/787267767.db2.gz BZDTZUFTNFCNIB-LBPRGKRZSA-N 1 0 336.396 -1.233 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)nn1 ZINC001134969370 787268111 /nfs/dbraw/zinc/26/81/11/787268111.db2.gz HDPNFFUJDCCBQX-UHFFFAOYSA-N 1 0 335.368 -1.228 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)COCCOC)nn1 ZINC001134969509 787267509 /nfs/dbraw/zinc/26/75/09/787267509.db2.gz IHIZBUOEXSFWLH-GFCCVEGCSA-N 1 0 327.385 -1.193 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H](O)COCCOC)nn1 ZINC001134969510 787267780 /nfs/dbraw/zinc/26/77/80/787267780.db2.gz IHIZBUOEXSFWLH-LBPRGKRZSA-N 1 0 327.385 -1.193 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)nn1 ZINC001134969541 787267615 /nfs/dbraw/zinc/26/76/15/787267615.db2.gz JBQQCVRSHXIBCJ-UHFFFAOYSA-N 1 0 330.414 -1.325 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001134969551 787268191 /nfs/dbraw/zinc/26/81/91/787268191.db2.gz JKBCMJVGBPQFHB-UHFFFAOYSA-N 1 0 335.368 -2.258 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)nn1 ZINC001134969853 787267999 /nfs/dbraw/zinc/26/79/99/787267999.db2.gz LVDSDSRYPKKLMF-UHFFFAOYSA-N 1 0 342.425 -1.181 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)nn1 ZINC001134973320 787266081 /nfs/dbraw/zinc/26/60/81/787266081.db2.gz MVAIRHWTGXLGCH-UHFFFAOYSA-N 1 0 347.379 -1.619 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)c1C(F)(F)F ZINC001134973348 787266913 /nfs/dbraw/zinc/26/69/13/787266913.db2.gz NUIYIJLBHRWWHP-UHFFFAOYSA-N 1 0 332.286 -1.097 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)nn1 ZINC001134973363 787266589 /nfs/dbraw/zinc/26/65/89/787266589.db2.gz OIVHRSRWCXTVEF-UHFFFAOYSA-N 1 0 335.368 -1.275 20 30 EAEDRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1C(F)(F)F ZINC001134973403 787266815 /nfs/dbraw/zinc/26/68/15/787266815.db2.gz PQPOPNKADZCYGF-UHFFFAOYSA-N 1 0 333.274 -1.207 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)nn1 ZINC001134973504 787265971 /nfs/dbraw/zinc/26/59/71/787265971.db2.gz UWBPHQUJGMFRNL-GFCCVEGCSA-N 1 0 336.396 -1.064 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)nn1 ZINC001134973505 787266918 /nfs/dbraw/zinc/26/69/18/787266918.db2.gz UWBPHQUJGMFRNL-LBPRGKRZSA-N 1 0 336.396 -1.064 20 30 EAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCNS(=O)(=O)CC)nn1 ZINC001134973555 787266922 /nfs/dbraw/zinc/26/69/22/787266922.db2.gz XCHRXQKSAVEBLU-UHFFFAOYSA-N 1 0 330.414 -1.277 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977010 787268131 /nfs/dbraw/zinc/26/81/31/787268131.db2.gz ACZQIVDGOZHSKM-NEPJUHHUSA-N 1 0 348.469 -1.043 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977011 787267987 /nfs/dbraw/zinc/26/79/87/787267987.db2.gz ACZQIVDGOZHSKM-RYUDHWBXSA-N 1 0 348.469 -1.043 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977029 787268076 /nfs/dbraw/zinc/26/80/76/787268076.db2.gz BBYKQRPYIRJFAX-LBPRGKRZSA-N 1 0 332.426 -1.985 20 30 EAEDRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134977307 787268021 /nfs/dbraw/zinc/26/80/21/787268021.db2.gz MAKGLCOPANJZMD-NSHDSACASA-N 1 0 333.414 -2.094 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977499 787268161 /nfs/dbraw/zinc/26/81/61/787268161.db2.gz RXJXGPHXFJGMRX-LBPRGKRZSA-N 1 0 334.442 -1.432 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977528 787267814 /nfs/dbraw/zinc/26/78/14/787267814.db2.gz TYMPYTKXUXOWOR-NEPJUHHUSA-N 1 0 346.453 -1.596 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977529 787268176 /nfs/dbraw/zinc/26/81/76/787268176.db2.gz TYMPYTKXUXOWOR-RYUDHWBXSA-N 1 0 346.453 -1.596 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134982997 787269721 /nfs/dbraw/zinc/26/97/21/787269721.db2.gz GNUHIQMXMCTHIK-UHFFFAOYSA-N 1 0 335.368 -1.205 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042744 787268604 /nfs/dbraw/zinc/26/86/04/787268604.db2.gz DASLAAGHZSYFJA-GHMZBOCLSA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)cn1)[NH2+]CC(=O)NCC#N ZINC001135042745 787268638 /nfs/dbraw/zinc/26/86/38/787268638.db2.gz DASLAAGHZSYFJA-MNOVXSKESA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042746 787269188 /nfs/dbraw/zinc/26/91/88/787269188.db2.gz DASLAAGHZSYFJA-QWRGUYRKSA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)cn1 ZINC001135042747 787269196 /nfs/dbraw/zinc/26/91/96/787269196.db2.gz DASLAAGHZSYFJA-WDEREUQCSA-N 1 0 334.380 -1.093 20 30 EAEDRO C=CCCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001135072484 787270522 /nfs/dbraw/zinc/27/05/22/787270522.db2.gz XUQMMZTZMUEVCT-UHFFFAOYSA-N 1 0 349.395 -1.868 20 30 EAEDRO C=CCCn1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)nn1 ZINC001135075179 787270283 /nfs/dbraw/zinc/27/02/83/787270283.db2.gz ASQOQWSPEMGRNX-UHFFFAOYSA-N 1 0 335.368 -1.275 20 30 EAEDRO C=CCCn1cc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)nn1 ZINC001135075393 787270984 /nfs/dbraw/zinc/27/09/84/787270984.db2.gz IVFWKQGJNAECIS-UHFFFAOYSA-N 1 0 330.414 -1.277 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081486 787271863 /nfs/dbraw/zinc/27/18/63/787271863.db2.gz MYKLLYUUBIUECB-GHMZBOCLSA-N 1 0 349.457 -1.785 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081487 787271804 /nfs/dbraw/zinc/27/18/04/787271804.db2.gz MYKLLYUUBIUECB-MNOVXSKESA-N 1 0 349.457 -1.785 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081488 787271825 /nfs/dbraw/zinc/27/18/25/787271825.db2.gz MYKLLYUUBIUECB-QWRGUYRKSA-N 1 0 349.457 -1.785 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081489 787272095 /nfs/dbraw/zinc/27/20/95/787272095.db2.gz MYKLLYUUBIUECB-WDEREUQCSA-N 1 0 349.457 -1.785 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135081562 787271928 /nfs/dbraw/zinc/27/19/28/787271928.db2.gz OHIARMQMAZPUSC-NXEZZACHSA-N 1 0 348.429 -2.447 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135081563 787271891 /nfs/dbraw/zinc/27/18/91/787271891.db2.gz OHIARMQMAZPUSC-UWVGGRQHSA-N 1 0 348.429 -2.447 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135081564 787271830 /nfs/dbraw/zinc/27/18/30/787271830.db2.gz OHIARMQMAZPUSC-VHSXEESVSA-N 1 0 348.429 -2.447 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135081565 787271504 /nfs/dbraw/zinc/27/15/04/787271504.db2.gz OHIARMQMAZPUSC-ZJUUUORDSA-N 1 0 348.429 -2.447 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082222 787271867 /nfs/dbraw/zinc/27/18/67/787271867.db2.gz ZIYUALGOOHLPMV-GHMZBOCLSA-N 1 0 347.441 -2.338 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082223 787271633 /nfs/dbraw/zinc/27/16/33/787271633.db2.gz ZIYUALGOOHLPMV-MNOVXSKESA-N 1 0 347.441 -2.338 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082224 787272131 /nfs/dbraw/zinc/27/21/31/787272131.db2.gz ZIYUALGOOHLPMV-QWRGUYRKSA-N 1 0 347.441 -2.338 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082225 787271880 /nfs/dbraw/zinc/27/18/80/787271880.db2.gz ZIYUALGOOHLPMV-WDEREUQCSA-N 1 0 347.441 -2.338 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110636 787271888 /nfs/dbraw/zinc/27/18/88/787271888.db2.gz GSTLBQGXWOCNBF-UHFFFAOYSA-N 1 0 336.356 -2.476 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110736 787273022 /nfs/dbraw/zinc/27/30/22/787273022.db2.gz KJIZNHLPXULQMJ-UHFFFAOYSA-N 1 0 335.368 -2.366 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111291 787273258 /nfs/dbraw/zinc/27/32/58/787273258.db2.gz XBHPIYCOPWAHHA-UHFFFAOYSA-N 1 0 337.384 -1.813 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135114449 787273475 /nfs/dbraw/zinc/27/34/75/787273475.db2.gz GDRPPIQPJOJAON-GFCCVEGCSA-N 1 0 349.395 -1.978 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135114450 787273419 /nfs/dbraw/zinc/27/34/19/787273419.db2.gz GDRPPIQPJOJAON-LBPRGKRZSA-N 1 0 349.395 -1.978 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135118749 787274391 /nfs/dbraw/zinc/27/43/91/787274391.db2.gz KGDYYURWEOQTMF-NEPJUHHUSA-N 1 0 334.442 -1.437 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135118754 787274857 /nfs/dbraw/zinc/27/48/57/787274857.db2.gz KGDYYURWEOQTMF-NWDGAFQWSA-N 1 0 334.442 -1.437 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135118756 787273913 /nfs/dbraw/zinc/27/39/13/787273913.db2.gz KGDYYURWEOQTMF-RYUDHWBXSA-N 1 0 334.442 -1.437 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135118757 787274327 /nfs/dbraw/zinc/27/43/27/787274327.db2.gz KGDYYURWEOQTMF-VXGBXAGGSA-N 1 0 334.442 -1.437 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134974 787276010 /nfs/dbraw/zinc/27/60/10/787276010.db2.gz IJNZBIWZUZAVJP-NEPJUHHUSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134975 787275201 /nfs/dbraw/zinc/27/52/01/787275201.db2.gz IJNZBIWZUZAVJP-NWDGAFQWSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134976 787276107 /nfs/dbraw/zinc/27/61/07/787276107.db2.gz IJNZBIWZUZAVJP-RYUDHWBXSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)C1=O ZINC001135134977 787275689 /nfs/dbraw/zinc/27/56/89/787275689.db2.gz IJNZBIWZUZAVJP-VXGBXAGGSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135135449 787275659 /nfs/dbraw/zinc/27/56/59/787275659.db2.gz VHXVPWKXEJATGH-GHMZBOCLSA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135451 787276060 /nfs/dbraw/zinc/27/60/60/787276060.db2.gz VHXVPWKXEJATGH-MNOVXSKESA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135453 787275284 /nfs/dbraw/zinc/27/52/84/787275284.db2.gz VHXVPWKXEJATGH-QWRGUYRKSA-N 1 0 332.426 -1.583 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135135454 787275329 /nfs/dbraw/zinc/27/53/29/787275329.db2.gz VHXVPWKXEJATGH-WDEREUQCSA-N 1 0 332.426 -1.583 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135135507 787276984 /nfs/dbraw/zinc/27/69/84/787276984.db2.gz WKEDNRQZVFVDIH-GHMZBOCLSA-N 1 0 330.410 -2.136 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135513 787277627 /nfs/dbraw/zinc/27/76/27/787277627.db2.gz WKEDNRQZVFVDIH-MNOVXSKESA-N 1 0 330.410 -2.136 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135514 787277508 /nfs/dbraw/zinc/27/75/08/787277508.db2.gz WKEDNRQZVFVDIH-QWRGUYRKSA-N 1 0 330.410 -2.136 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135135515 787277195 /nfs/dbraw/zinc/27/71/95/787277195.db2.gz WKEDNRQZVFVDIH-WDEREUQCSA-N 1 0 330.410 -2.136 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001135138828 787277141 /nfs/dbraw/zinc/27/71/41/787277141.db2.gz UWRXVNROPIZVKC-UKRRQHHQSA-N 1 0 333.392 -1.257 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001135139100 787277224 /nfs/dbraw/zinc/27/72/24/787277224.db2.gz YZFVOWPPVDNVCP-TZMCWYRMSA-N 1 0 334.380 -1.366 20 30 EAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135148000 787276545 /nfs/dbraw/zinc/27/65/45/787276545.db2.gz XVCRXRRACMDELY-WFASDCNBSA-N 1 0 338.408 -1.368 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001135155816 787277362 /nfs/dbraw/zinc/27/73/62/787277362.db2.gz VTOBAUOWSPQRNV-BXUZGUMPSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001135155817 787277575 /nfs/dbraw/zinc/27/75/75/787277575.db2.gz VTOBAUOWSPQRNV-FZMZJTMJSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001135155818 787277042 /nfs/dbraw/zinc/27/70/42/787277042.db2.gz VTOBAUOWSPQRNV-RISCZKNCSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001135155819 787277330 /nfs/dbraw/zinc/27/73/30/787277330.db2.gz VTOBAUOWSPQRNV-SMDDNHRTSA-N 1 0 329.422 -1.203 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)C1=O ZINC001135158346 787276927 /nfs/dbraw/zinc/27/69/27/787276927.db2.gz FHYGJIBVTCUGBF-CSJGVYOVSA-N 1 0 349.391 -1.533 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)C1=O ZINC001135158347 787276813 /nfs/dbraw/zinc/27/68/13/787276813.db2.gz FHYGJIBVTCUGBF-NOEPWBJOSA-N 1 0 349.391 -1.533 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135158811 787278150 /nfs/dbraw/zinc/27/81/50/787278150.db2.gz KPQMKMHLQYVQQA-SBTGLGLWSA-N 1 0 335.364 -2.182 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135158821 787279073 /nfs/dbraw/zinc/27/90/73/787279073.db2.gz KPQMKMHLQYVQQA-YLTRJXTNSA-N 1 0 335.364 -2.182 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135163337 787278830 /nfs/dbraw/zinc/27/88/30/787278830.db2.gz UYBDHOIQWOYOTF-SBTGLGLWSA-N 1 0 337.380 -1.629 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135163338 787279262 /nfs/dbraw/zinc/27/92/62/787279262.db2.gz UYBDHOIQWOYOTF-YLTRJXTNSA-N 1 0 337.380 -1.629 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135169887 787278595 /nfs/dbraw/zinc/27/85/95/787278595.db2.gz SIIWHUNUEXLAAU-UHFFFAOYSA-N 1 0 341.412 -1.134 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135175294 787280171 /nfs/dbraw/zinc/28/01/71/787280171.db2.gz HPGSWWSWYFVLBD-CHWSQXEVSA-N 1 0 337.424 -1.960 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 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C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135205751 787280979 /nfs/dbraw/zinc/28/09/79/787280979.db2.gz DQVVJZNTZGKISV-UHFFFAOYSA-N 1 0 348.425 -1.471 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219676 787281028 /nfs/dbraw/zinc/28/10/28/787281028.db2.gz SLRCHMCRAPZBLO-JTQLQIEISA-N 1 0 325.369 -1.627 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219677 787281464 /nfs/dbraw/zinc/28/14/64/787281464.db2.gz SLRCHMCRAPZBLO-SNVBAGLBSA-N 1 0 325.369 -1.627 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135231452 787282634 /nfs/dbraw/zinc/28/26/34/787282634.db2.gz BVVRMCNGWGXDFG-GHMZBOCLSA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231453 787282552 /nfs/dbraw/zinc/28/25/52/787282552.db2.gz BVVRMCNGWGXDFG-MNOVXSKESA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231454 787282982 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135242019 787284540 /nfs/dbraw/zinc/28/45/40/787284540.db2.gz SELLXQKQNNGKLF-JTQLQIEISA-N 1 0 330.348 -1.108 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135242020 787284897 /nfs/dbraw/zinc/28/48/97/787284897.db2.gz SELLXQKQNNGKLF-SNVBAGLBSA-N 1 0 330.348 -1.108 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135249831 787283809 /nfs/dbraw/zinc/28/38/09/787283809.db2.gz FPGLZDJBEYHFLN-UHFFFAOYSA-N 1 0 325.369 -1.770 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001135258672 787283758 /nfs/dbraw/zinc/28/37/58/787283758.db2.gz MMBUTRYJRSESTM-UHFFFAOYSA-N 1 0 327.348 -1.269 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001135258992 787284852 /nfs/dbraw/zinc/28/48/52/787284852.db2.gz QHZIDTANMBTELU-UHFFFAOYSA-N 1 0 328.336 -1.379 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135262935 787286351 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135298482 787289068 /nfs/dbraw/zinc/28/90/68/787289068.db2.gz REHKFWBKNNLUON-LLVKDONJSA-N 1 0 344.375 -1.212 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135298486 787289041 /nfs/dbraw/zinc/28/90/41/787289041.db2.gz REHKFWBKNNLUON-NSHDSACASA-N 1 0 344.375 -1.212 20 30 EAEDRO Cc1cc2[nH]c(=O)c(C(=O)NCC[NH2+]CC(=O)NCC#N)cn2n1 ZINC001135301344 787288887 /nfs/dbraw/zinc/28/88/87/787288887.db2.gz WSSAESCIJNATLH-UHFFFAOYSA-N 1 0 331.336 -1.710 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135301349 787289108 /nfs/dbraw/zinc/28/91/08/787289108.db2.gz XCHIFZIPBCIPRD-UHFFFAOYSA-N 1 0 332.364 -1.047 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCCN1CCOCC1 ZINC001135322936 787288312 /nfs/dbraw/zinc/28/83/12/787288312.db2.gz HJLWEBLBPUQIFD-UHFFFAOYSA-N 1 0 325.413 -1.166 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCCS(N)(=O)=O ZINC001135324555 787289289 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339.396 -2.400 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135385266 787294682 /nfs/dbraw/zinc/29/46/82/787294682.db2.gz WIKBCCIBJCJPLM-JQWIXIFHSA-N 1 0 339.396 -2.400 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135385267 787294164 /nfs/dbraw/zinc/29/41/64/787294164.db2.gz WIKBCCIBJCJPLM-PWSUYJOCSA-N 1 0 339.396 -2.400 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135385268 787294092 /nfs/dbraw/zinc/29/40/92/787294092.db2.gz WIKBCCIBJCJPLM-ZYHUDNBSSA-N 1 0 339.396 -2.400 20 30 EAEDRO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135387018 787295996 /nfs/dbraw/zinc/29/59/96/787295996.db2.gz IRZFIQNGJSTWPZ-JTQLQIEISA-N 1 0 326.357 -2.898 20 30 EAEDRO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135387019 787295198 /nfs/dbraw/zinc/29/51/98/787295198.db2.gz IRZFIQNGJSTWPZ-SNVBAGLBSA-N 1 0 326.357 -2.898 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 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C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693158 787313953 /nfs/dbraw/zinc/31/39/53/787313953.db2.gz XZTBLEBDRASZSB-GHMZBOCLSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693159 787315253 /nfs/dbraw/zinc/31/52/53/787315253.db2.gz XZTBLEBDRASZSB-MNOVXSKESA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693160 787314196 /nfs/dbraw/zinc/31/41/96/787314196.db2.gz XZTBLEBDRASZSB-QWRGUYRKSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135693161 787315285 /nfs/dbraw/zinc/31/52/85/787315285.db2.gz XZTBLEBDRASZSB-WDEREUQCSA-N 1 0 337.380 -1.840 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CC(=O)NC1=O ZINC001135693238 787315594 /nfs/dbraw/zinc/31/55/94/787315594.db2.gz ZGYJXIZHMKPBJY-NXEZZACHSA-N 1 0 338.368 -1.949 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CC(=O)NC1=O ZINC001135693239 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20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c(C)cc(C)nc1=O ZINC001135850237 787322820 /nfs/dbraw/zinc/32/28/20/787322820.db2.gz LRDNOIOERXQEHY-CYBMUJFWSA-N 1 0 333.392 -1.296 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c(C)cc(C)nc1=O ZINC001135850238 787321468 /nfs/dbraw/zinc/32/14/68/787321468.db2.gz LRDNOIOERXQEHY-ZDUSSCGKSA-N 1 0 333.392 -1.296 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135906161 787321685 /nfs/dbraw/zinc/32/16/85/787321685.db2.gz SNVJQLUEHGTNCI-UHFFFAOYSA-N 1 0 325.369 -1.770 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135914214 787324706 /nfs/dbraw/zinc/32/47/06/787324706.db2.gz YZTSQGWNGDRCBP-JTQLQIEISA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135914215 787324281 /nfs/dbraw/zinc/32/42/81/787324281.db2.gz YZTSQGWNGDRCBP-SNVBAGLBSA-N 1 0 339.396 -1.381 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000186 787327099 /nfs/dbraw/zinc/32/70/99/787327099.db2.gz ASRYNBYSTVHCER-CHWSQXEVSA-N 1 0 348.407 -1.228 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000191 787327795 /nfs/dbraw/zinc/32/77/95/787327795.db2.gz ASRYNBYSTVHCER-OLZOCXBDSA-N 1 0 348.407 -1.228 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000193 787327587 /nfs/dbraw/zinc/32/75/87/787327587.db2.gz ASRYNBYSTVHCER-QWHCGFSZSA-N 1 0 348.407 -1.228 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000195 787327141 /nfs/dbraw/zinc/32/71/41/787327141.db2.gz ASRYNBYSTVHCER-STQMWFEESA-N 1 0 348.407 -1.228 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000730 787328111 /nfs/dbraw/zinc/32/81/11/787328111.db2.gz JSIQUNQMUBEOFS-GFCCVEGCSA-N 1 0 336.396 -1.064 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000731 787328499 /nfs/dbraw/zinc/32/84/99/787328499.db2.gz JSIQUNQMUBEOFS-LBPRGKRZSA-N 1 0 336.396 -1.064 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000951 787327078 /nfs/dbraw/zinc/32/70/78/787327078.db2.gz KJHKBMGOPQGOCD-GFCCVEGCSA-N 1 0 334.380 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000952 787327982 /nfs/dbraw/zinc/32/79/82/787327982.db2.gz KJHKBMGOPQGOCD-LBPRGKRZSA-N 1 0 334.380 -1.617 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001853 787328213 /nfs/dbraw/zinc/32/82/13/787328213.db2.gz WBLZFPCKEWQKRF-LLVKDONJSA-N 1 0 335.368 -1.726 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001854 787328904 /nfs/dbraw/zinc/32/89/04/787328904.db2.gz WBLZFPCKEWQKRF-NSHDSACASA-N 1 0 335.368 -1.726 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017724 787329240 /nfs/dbraw/zinc/32/92/40/787329240.db2.gz PPUPUYIKIYYFRN-SECBINFHSA-N 1 0 336.314 -1.101 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017725 787330038 /nfs/dbraw/zinc/33/00/38/787330038.db2.gz PPUPUYIKIYYFRN-VIFPVBQESA-N 1 0 336.314 -1.101 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cncn2)n1 ZINC001136018908 787328717 /nfs/dbraw/zinc/32/87/17/787328717.db2.gz BRUAOFXVWSPDNS-UHFFFAOYSA-N 1 0 328.336 -1.379 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cncn2)n1 ZINC001136019338 787327188 /nfs/dbraw/zinc/32/71/88/787327188.db2.gz NYFGPHLJVISZMH-UHFFFAOYSA-N 1 0 327.348 -1.269 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CS(=O)(=O)N(C)C ZINC001136053559 787331634 /nfs/dbraw/zinc/33/16/34/787331634.db2.gz BUZVUNWCABESIF-GHMZBOCLSA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)[NH2+]CC(=O)NCC#N ZINC001136053560 787331045 /nfs/dbraw/zinc/33/10/45/787331045.db2.gz BUZVUNWCABESIF-MNOVXSKESA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CS(=O)(=O)N(C)C ZINC001136053561 787330701 /nfs/dbraw/zinc/33/07/01/787330701.db2.gz BUZVUNWCABESIF-QWRGUYRKSA-N 1 0 347.441 -1.610 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CS(=O)(=O)N(C)C ZINC001136053562 787331836 /nfs/dbraw/zinc/33/18/36/787331836.db2.gz BUZVUNWCABESIF-WDEREUQCSA-N 1 0 347.441 -1.610 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063310 787331729 /nfs/dbraw/zinc/33/17/29/787331729.db2.gz ONBLIOAYBBLUKA-NEPJUHHUSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063311 787331273 /nfs/dbraw/zinc/33/12/73/787331273.db2.gz ONBLIOAYBBLUKA-NWDGAFQWSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063312 787330830 /nfs/dbraw/zinc/33/08/30/787330830.db2.gz ONBLIOAYBBLUKA-RYUDHWBXSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063313 787330842 /nfs/dbraw/zinc/33/08/42/787330842.db2.gz ONBLIOAYBBLUKA-VXGBXAGGSA-N 1 0 346.453 -1.500 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107198 787333845 /nfs/dbraw/zinc/33/38/45/787333845.db2.gz HLALTUGRFTZKOX-LLVKDONJSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107199 787333653 /nfs/dbraw/zinc/33/36/53/787333653.db2.gz HLALTUGRFTZKOX-NSHDSACASA-N 1 0 329.422 -1.203 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)n(C)n1 ZINC001136118821 787334305 /nfs/dbraw/zinc/33/43/05/787334305.db2.gz NUBMPPXJSKBUKY-GHMZBOCLSA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)n(C)n1)[NH2+]CC(=O)NCC#N ZINC001136118822 787334871 /nfs/dbraw/zinc/33/48/71/787334871.db2.gz NUBMPPXJSKBUKY-MNOVXSKESA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)n(C)n1 ZINC001136118823 787335256 /nfs/dbraw/zinc/33/52/56/787335256.db2.gz NUBMPPXJSKBUKY-QWRGUYRKSA-N 1 0 334.380 -1.093 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)n(C)n1 ZINC001136118824 787335129 /nfs/dbraw/zinc/33/51/29/787335129.db2.gz NUBMPPXJSKBUKY-WDEREUQCSA-N 1 0 334.380 -1.093 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127108 787334995 /nfs/dbraw/zinc/33/49/95/787334995.db2.gz LDGPWTWIXSXSHR-GHMZBOCLSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127109 787334953 /nfs/dbraw/zinc/33/49/53/787334953.db2.gz LDGPWTWIXSXSHR-MNOVXSKESA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127110 787334987 /nfs/dbraw/zinc/33/49/87/787334987.db2.gz LDGPWTWIXSXSHR-QWRGUYRKSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127111 787334805 /nfs/dbraw/zinc/33/48/05/787334805.db2.gz LDGPWTWIXSXSHR-WDEREUQCSA-N 1 0 337.380 -1.840 20 30 EAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH+]2CCC(O)CC2)C1=O ZINC001140921021 793041357 /nfs/dbraw/zinc/04/13/57/793041357.db2.gz PZODODJVTPOGAP-UHFFFAOYSA-N 1 0 338.364 -1.464 20 30 EAEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001141580703 793043057 /nfs/dbraw/zinc/04/30/57/793043057.db2.gz HYTSPFFLXGEBSG-RBSFLKMASA-N 1 0 347.419 -1.018 20 30 EAEDRO C=CCN1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001142385437 793048840 /nfs/dbraw/zinc/04/88/40/793048840.db2.gz KQYAGNVOVNPISU-UHFFFAOYSA-N 1 0 346.391 -1.236 20 30 EAEDRO C#CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001143915717 787445893 /nfs/dbraw/zinc/44/58/93/787445893.db2.gz KDVBSUITFBPXGV-MUIQIWNUSA-N 1 0 334.292 -2.974 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146182759 787501451 /nfs/dbraw/zinc/50/14/51/787501451.db2.gz BNVRFEOGLZMEHQ-LLVKDONJSA-N 1 0 332.426 -1.888 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146182779 787500864 /nfs/dbraw/zinc/50/08/64/787500864.db2.gz BNVRFEOGLZMEHQ-NSHDSACASA-N 1 0 332.426 -1.888 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146183885 787501031 /nfs/dbraw/zinc/50/10/31/787501031.db2.gz UQIARDXJDRDXTC-LLVKDONJSA-N 1 0 334.442 -1.336 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146183900 787501429 /nfs/dbraw/zinc/50/14/29/787501429.db2.gz UQIARDXJDRDXTC-NSHDSACASA-N 1 0 334.442 -1.336 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)S(=O)(=O)CC)C1=O ZINC001146184238 787503189 /nfs/dbraw/zinc/50/31/89/787503189.db2.gz WQYDFSLVAFJKDP-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CN(C)S(=O)(=O)CC)C1=O ZINC001146184239 787502835 /nfs/dbraw/zinc/50/28/35/787502835.db2.gz WQYDFSLVAFJKDP-LBPRGKRZSA-N 1 0 346.453 -1.239 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CCC1=O ZINC001146192057 787503559 /nfs/dbraw/zinc/50/35/59/787503559.db2.gz HWURYKPBHSNNLK-GHMZBOCLSA-N 1 0 337.380 -1.352 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CCC1=O)[NH2+]CC(=O)NCC#N ZINC001146192065 787503369 /nfs/dbraw/zinc/50/33/69/787503369.db2.gz HWURYKPBHSNNLK-MNOVXSKESA-N 1 0 337.380 -1.352 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CCC1=O ZINC001146192067 787503038 /nfs/dbraw/zinc/50/30/38/787503038.db2.gz HWURYKPBHSNNLK-QWRGUYRKSA-N 1 0 337.380 -1.352 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CCC1=O ZINC001146192070 787503365 /nfs/dbraw/zinc/50/33/65/787503365.db2.gz HWURYKPBHSNNLK-WDEREUQCSA-N 1 0 337.380 -1.352 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1C(N)=O ZINC001146193128 787503377 /nfs/dbraw/zinc/50/33/77/787503377.db2.gz NWHCUJRORJZALP-NXEZZACHSA-N 1 0 347.379 -1.298 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1C(N)=O ZINC001146193129 787503504 /nfs/dbraw/zinc/50/35/04/787503504.db2.gz NWHCUJRORJZALP-UWVGGRQHSA-N 1 0 347.379 -1.298 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1C(N)=O ZINC001146193131 787503422 /nfs/dbraw/zinc/50/34/22/787503422.db2.gz NWHCUJRORJZALP-VHSXEESVSA-N 1 0 347.379 -1.298 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)c1nccnc1C(N)=O)[NH2+]CC(=O)NCC#N ZINC001146193135 787502702 /nfs/dbraw/zinc/50/27/02/787502702.db2.gz NWHCUJRORJZALP-ZJUUUORDSA-N 1 0 347.379 -1.298 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001146193894 787502921 /nfs/dbraw/zinc/50/29/21/787502921.db2.gz RWZHJHBSHJTPST-NEPJUHHUSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001146193895 787503617 /nfs/dbraw/zinc/50/36/17/787503617.db2.gz RWZHJHBSHJTPST-NWDGAFQWSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001146193896 787502632 /nfs/dbraw/zinc/50/26/32/787502632.db2.gz RWZHJHBSHJTPST-RYUDHWBXSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001146193897 787502568 /nfs/dbraw/zinc/50/25/68/787502568.db2.gz RWZHJHBSHJTPST-VXGBXAGGSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194863 787503592 /nfs/dbraw/zinc/50/35/92/787503592.db2.gz YZWSSVRFPMWRIX-GHMZBOCLSA-N 1 0 346.391 -1.189 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194865 787503228 /nfs/dbraw/zinc/50/32/28/787503228.db2.gz YZWSSVRFPMWRIX-MNOVXSKESA-N 1 0 346.391 -1.189 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194866 787503004 /nfs/dbraw/zinc/50/30/04/787503004.db2.gz YZWSSVRFPMWRIX-QWRGUYRKSA-N 1 0 346.391 -1.189 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194868 787503635 /nfs/dbraw/zinc/50/36/35/787503635.db2.gz YZWSSVRFPMWRIX-WDEREUQCSA-N 1 0 346.391 -1.189 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)COCc2ncnn2C)C1=O ZINC001146201384 787504741 /nfs/dbraw/zinc/50/47/41/787504741.db2.gz XNLHHKIJYXWICV-GFCCVEGCSA-N 1 0 336.396 -1.176 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)COCc2ncnn2C)C1=O ZINC001146201385 787504346 /nfs/dbraw/zinc/50/43/46/787504346.db2.gz XNLHHKIJYXWICV-LBPRGKRZSA-N 1 0 336.396 -1.176 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)COCc2nncn2C)C1=O ZINC001146208078 787504361 /nfs/dbraw/zinc/50/43/61/787504361.db2.gz HRNCVQYQISIQDP-GFCCVEGCSA-N 1 0 336.396 -1.176 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)COCc2nncn2C)C1=O ZINC001146208079 787504289 /nfs/dbraw/zinc/50/42/89/787504289.db2.gz HRNCVQYQISIQDP-LBPRGKRZSA-N 1 0 336.396 -1.176 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CNC1=O ZINC001146225752 787506072 /nfs/dbraw/zinc/50/60/72/787506072.db2.gz SHTVWKGWYRHWSA-NXEZZACHSA-N 1 0 338.368 -1.949 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CNC1=O ZINC001146225755 787506084 /nfs/dbraw/zinc/50/60/84/787506084.db2.gz SHTVWKGWYRHWSA-UWVGGRQHSA-N 1 0 338.368 -1.949 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1C(=O)CNC1=O ZINC001146225756 787505384 /nfs/dbraw/zinc/50/53/84/787505384.db2.gz SHTVWKGWYRHWSA-VHSXEESVSA-N 1 0 338.368 -1.949 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)[NH2+]CC(=O)NCC#N ZINC001146225757 787506279 /nfs/dbraw/zinc/50/62/79/787506279.db2.gz SHTVWKGWYRHWSA-ZJUUUORDSA-N 1 0 338.368 -1.949 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146226266 787505541 /nfs/dbraw/zinc/50/55/41/787505541.db2.gz VVBWATJMEWOMQM-GHMZBOCLSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146226267 787506254 /nfs/dbraw/zinc/50/62/54/787506254.db2.gz VVBWATJMEWOMQM-MNOVXSKESA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146226269 787506359 /nfs/dbraw/zinc/50/63/59/787506359.db2.gz VVBWATJMEWOMQM-QWRGUYRKSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146226271 787505550 /nfs/dbraw/zinc/50/55/50/787505550.db2.gz VVBWATJMEWOMQM-WDEREUQCSA-N 1 0 339.396 -1.287 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311775 787507774 /nfs/dbraw/zinc/50/77/74/787507774.db2.gz AYHPZPVKXQEYEP-GHMZBOCLSA-N 1 0 349.391 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311778 787507009 /nfs/dbraw/zinc/50/70/09/787507009.db2.gz AYHPZPVKXQEYEP-MNOVXSKESA-N 1 0 349.391 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311779 787507790 /nfs/dbraw/zinc/50/77/90/787507790.db2.gz AYHPZPVKXQEYEP-QWRGUYRKSA-N 1 0 349.391 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146311780 787507507 /nfs/dbraw/zinc/50/75/07/787507507.db2.gz AYHPZPVKXQEYEP-WDEREUQCSA-N 1 0 349.391 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146430694 787510056 /nfs/dbraw/zinc/51/00/56/787510056.db2.gz JYHNKEMGYBXGKO-GHMZBOCLSA-N 1 0 332.426 -1.842 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146430700 787510520 /nfs/dbraw/zinc/51/05/20/787510520.db2.gz JYHNKEMGYBXGKO-MNOVXSKESA-N 1 0 332.426 -1.842 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146430702 787510094 /nfs/dbraw/zinc/51/00/94/787510094.db2.gz JYHNKEMGYBXGKO-QWRGUYRKSA-N 1 0 332.426 -1.842 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146430704 787510345 /nfs/dbraw/zinc/51/03/45/787510345.db2.gz JYHNKEMGYBXGKO-WDEREUQCSA-N 1 0 332.426 -1.842 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146450707 787510127 /nfs/dbraw/zinc/51/01/27/787510127.db2.gz FSCKLDAYTMFMQY-GHMZBOCLSA-N 1 0 334.442 -1.289 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146450711 787509910 /nfs/dbraw/zinc/50/99/10/787509910.db2.gz FSCKLDAYTMFMQY-MNOVXSKESA-N 1 0 334.442 -1.289 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001146450712 787509964 /nfs/dbraw/zinc/50/99/64/787509964.db2.gz FSCKLDAYTMFMQY-QWRGUYRKSA-N 1 0 334.442 -1.289 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146450713 787510832 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EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582293 787511881 /nfs/dbraw/zinc/51/18/81/787511881.db2.gz GEARWSJMRNQJQT-GHMZBOCLSA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582294 787511928 /nfs/dbraw/zinc/51/19/28/787511928.db2.gz GEARWSJMRNQJQT-MNOVXSKESA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582295 787511714 /nfs/dbraw/zinc/51/17/14/787511714.db2.gz GEARWSJMRNQJQT-QWRGUYRKSA-N 1 0 349.395 -2.001 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582296 787511220 /nfs/dbraw/zinc/51/12/20/787511220.db2.gz GEARWSJMRNQJQT-WDEREUQCSA-N 1 0 349.395 -2.001 20 30 EAEDRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146584688 787511215 /nfs/dbraw/zinc/51/12/15/787511215.db2.gz UIUISANUYUUOCS-GHMZBOCLSA-N 1 0 332.426 -1.066 20 30 EAEDRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146584689 787511673 /nfs/dbraw/zinc/51/16/73/787511673.db2.gz UIUISANUYUUOCS-MNOVXSKESA-N 1 0 332.426 -1.066 20 30 EAEDRO CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146584690 787511819 /nfs/dbraw/zinc/51/18/19/787511819.db2.gz UIUISANUYUUOCS-QWRGUYRKSA-N 1 0 332.426 -1.066 20 30 EAEDRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146584691 787511086 /nfs/dbraw/zinc/51/10/86/787511086.db2.gz UIUISANUYUUOCS-WDEREUQCSA-N 1 0 332.426 -1.066 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585184 787511779 /nfs/dbraw/zinc/51/17/79/787511779.db2.gz XDYIUWUZFJRNOB-NEPJUHHUSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585185 787511490 /nfs/dbraw/zinc/51/14/90/787511490.db2.gz XDYIUWUZFJRNOB-NWDGAFQWSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585186 787511827 /nfs/dbraw/zinc/51/18/27/787511827.db2.gz XDYIUWUZFJRNOB-RYUDHWBXSA-N 1 0 336.396 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146585187 787511262 /nfs/dbraw/zinc/51/12/62/787511262.db2.gz XDYIUWUZFJRNOB-VXGBXAGGSA-N 1 0 336.396 -1.100 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001146635241 787514805 /nfs/dbraw/zinc/51/48/05/787514805.db2.gz DZUVHFSPAAPRLM-NEPJUHHUSA-N 1 0 335.408 -1.040 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001146635242 787514919 /nfs/dbraw/zinc/51/49/19/787514919.db2.gz DZUVHFSPAAPRLM-NWDGAFQWSA-N 1 0 335.408 -1.040 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001146635243 787514908 /nfs/dbraw/zinc/51/49/08/787514908.db2.gz DZUVHFSPAAPRLM-RYUDHWBXSA-N 1 0 335.408 -1.040 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001146635244 787514876 /nfs/dbraw/zinc/51/48/76/787514876.db2.gz DZUVHFSPAAPRLM-VXGBXAGGSA-N 1 0 335.408 -1.040 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660854 787514002 /nfs/dbraw/zinc/51/40/02/787514002.db2.gz JRZOILFMJFEDSQ-JTQLQIEISA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660857 787514836 /nfs/dbraw/zinc/51/48/36/787514836.db2.gz JRZOILFMJFEDSQ-SNVBAGLBSA-N 1 0 339.396 -1.287 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660986 787514549 /nfs/dbraw/zinc/51/45/49/787514549.db2.gz NDHCEEQEWQEBRK-JTQLQIEISA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660987 787514430 /nfs/dbraw/zinc/51/44/30/787514430.db2.gz NDHCEEQEWQEBRK-SNVBAGLBSA-N 1 0 337.380 -1.840 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661208 787514713 /nfs/dbraw/zinc/51/47/13/787514713.db2.gz TXMXIHZGZGPLPM-UHFFFAOYSA-N 1 0 325.369 -1.675 20 30 EAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)n1C ZINC001146661640 787515033 /nfs/dbraw/zinc/51/50/33/787515033.db2.gz BKTJKHIGVUBGSS-GHMZBOCLSA-N 1 0 336.396 -1.150 20 30 EAEDRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)n1C)[NH2+]CC(=O)NCC#N ZINC001146661641 787514757 /nfs/dbraw/zinc/51/47/57/787514757.db2.gz BKTJKHIGVUBGSS-MNOVXSKESA-N 1 0 336.396 -1.150 20 30 EAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)n1C ZINC001146661642 787514711 /nfs/dbraw/zinc/51/47/11/787514711.db2.gz BKTJKHIGVUBGSS-QWRGUYRKSA-N 1 0 336.396 -1.150 20 30 EAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)c(=O)n1C ZINC001146661643 787514720 /nfs/dbraw/zinc/51/47/20/787514720.db2.gz BKTJKHIGVUBGSS-WDEREUQCSA-N 1 0 336.396 -1.150 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146668754 787514972 /nfs/dbraw/zinc/51/49/72/787514972.db2.gz UIDCNHJZDNECPO-UHFFFAOYSA-N 1 0 336.352 -1.184 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146795151 787517128 /nfs/dbraw/zinc/51/71/28/787517128.db2.gz DXLBGLGKCJVKGO-UHFFFAOYSA-N 1 0 337.384 -1.224 20 30 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ZINC001148583554 787594456 /nfs/dbraw/zinc/59/44/56/787594456.db2.gz PEARKFSCDGVYLN-GFCCVEGCSA-N 1 0 331.380 -1.655 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148599048 787594042 /nfs/dbraw/zinc/59/40/42/787594042.db2.gz MORAHYYBUHWQHX-UHFFFAOYSA-N 1 0 339.396 -1.380 20 30 EAEDRO C#CCNC(=O)CN1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604400 787593868 /nfs/dbraw/zinc/59/38/68/787593868.db2.gz DKEUOZVQENZNEM-UHFFFAOYSA-N 1 0 336.436 -1.152 20 30 EAEDRO C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001148605413 787593369 /nfs/dbraw/zinc/59/33/69/787593369.db2.gz RTUDPCQWGCFKJN-UHFFFAOYSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148635378 787595732 /nfs/dbraw/zinc/59/57/32/787595732.db2.gz IDLHFCYXBPNDSX-OLZOCXBDSA-N 1 0 332.404 -1.063 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148635379 787595935 /nfs/dbraw/zinc/59/59/35/787595935.db2.gz 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103535 793024177 /nfs/dbraw/zinc/02/41/77/793024177.db2.gz HIQJMCLESHFGRM-FZMZJTMJSA-N 1 0 346.453 -1.145 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103536 793024504 /nfs/dbraw/zinc/02/45/04/793024504.db2.gz HIQJMCLESHFGRM-RISCZKNCSA-N 1 0 346.453 -1.145 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149103537 793024868 /nfs/dbraw/zinc/02/48/68/793024868.db2.gz HIQJMCLESHFGRM-SMDDNHRTSA-N 1 0 346.453 -1.145 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149103599 793024745 /nfs/dbraw/zinc/02/47/45/793024745.db2.gz JEADNIQXSUSMDR-BXUZGUMPSA-N 1 0 344.437 -1.698 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103600 793024382 /nfs/dbraw/zinc/02/43/82/793024382.db2.gz JEADNIQXSUSMDR-FZMZJTMJSA-N 1 0 344.437 -1.698 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103601 793026607 /nfs/dbraw/zinc/02/66/07/793026607.db2.gz JEADNIQXSUSMDR-RISCZKNCSA-N 1 0 344.437 -1.698 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149103602 793025979 /nfs/dbraw/zinc/02/59/79/793025979.db2.gz JEADNIQXSUSMDR-SMDDNHRTSA-N 1 0 344.437 -1.698 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149103629 793025831 /nfs/dbraw/zinc/02/58/31/793025831.db2.gz JQSOPOMCYOARQS-CYBMUJFWSA-N 1 0 330.410 -2.087 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103630 793026058 /nfs/dbraw/zinc/02/60/58/793026058.db2.gz JQSOPOMCYOARQS-ZDUSSCGKSA-N 1 0 330.410 -2.087 20 30 EAEDRO C[C@]1(CC(=O)NCC[NH2+]CC(=O)NCC#N)CCS(=O)(=O)N1 ZINC001149104303 793040276 /nfs/dbraw/zinc/04/02/76/793040276.db2.gz NWDPDXUWMFHXPD-GFCCVEGCSA-N 1 0 331.398 -2.196 20 30 EAEDRO C[C@@]1(CC(=O)NCC[NH2+]CC(=O)NCC#N)CCS(=O)(=O)N1 ZINC001149104304 793040055 /nfs/dbraw/zinc/04/00/55/793040055.db2.gz NWDPDXUWMFHXPD-LBPRGKRZSA-N 1 0 331.398 -2.196 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149106143 787501411 /nfs/dbraw/zinc/50/14/11/787501411.db2.gz ZMYUXNMQNXJCGJ-CYBMUJFWSA-N 1 0 332.426 -1.534 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149106144 787501774 /nfs/dbraw/zinc/50/17/74/787501774.db2.gz ZMYUXNMQNXJCGJ-ZDUSSCGKSA-N 1 0 332.426 -1.534 20 30 EAEDRO C#Cc1ccccc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001149117508 787501162 /nfs/dbraw/zinc/50/11/62/787501162.db2.gz KOMAVIKHNZCUMH-UHFFFAOYSA-N 1 0 342.399 -1.125 20 30 EAEDRO C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001149128549 785257720 /nfs/dbraw/zinc/25/77/20/785257720.db2.gz AOJHFYZZRGMCCB-AWEZNQCLSA-N 1 0 333.392 -1.010 20 30 EAEDRO C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001149128550 785257242 /nfs/dbraw/zinc/25/72/42/785257242.db2.gz AOJHFYZZRGMCCB-CQSZACIVSA-N 1 0 333.392 -1.010 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNS(=O)(=O)CCCC ZINC001149172599 785266090 /nfs/dbraw/zinc/26/60/90/785266090.db2.gz 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EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151814690 793217893 /nfs/dbraw/zinc/21/78/93/793217893.db2.gz JFTFGGWNUNHJFD-ZFWWWQNUSA-N 1 0 336.436 -1.059 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccnc1C(N)=O ZINC001151967215 793219617 /nfs/dbraw/zinc/21/96/17/793219617.db2.gz LXIRQWWDQJAWNJ-UHFFFAOYSA-N 1 0 348.363 -1.488 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)c1ccccn1 ZINC001152072782 790807362 /nfs/dbraw/zinc/80/73/62/790807362.db2.gz IYLUHYHSWUQRFD-GFCCVEGCSA-N 1 0 331.376 -1.345 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)c1ccccn1 ZINC001152072783 790808923 /nfs/dbraw/zinc/80/89/23/790808923.db2.gz IYLUHYHSWUQRFD-LBPRGKRZSA-N 1 0 331.376 -1.345 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCS(=O)(=O)N(C)C)C1=O ZINC001152084659 793218836 /nfs/dbraw/zinc/21/88/36/793218836.db2.gz RQETXCBENVEIBJ-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCS(=O)(=O)N(C)C)C1=O ZINC001152084660 793220275 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001152097266 793221740 /nfs/dbraw/zinc/22/17/40/793221740.db2.gz KRVLVNFCKNLBCF-DGCLKSJQSA-N 1 0 332.408 -1.007 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001152097267 793221493 /nfs/dbraw/zinc/22/14/93/793221493.db2.gz KRVLVNFCKNLBCF-WCQYABFASA-N 1 0 332.408 -1.007 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001152097268 793221931 /nfs/dbraw/zinc/22/19/31/793221931.db2.gz KRVLVNFCKNLBCF-YPMHNXCESA-N 1 0 332.408 -1.007 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152155013 793220772 /nfs/dbraw/zinc/22/07/72/793220772.db2.gz DYCSCOOHBOYHKW-LLVKDONJSA-N 1 0 349.395 -1.442 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152155016 793221253 /nfs/dbraw/zinc/22/12/53/793221253.db2.gz DYCSCOOHBOYHKW-NSHDSACASA-N 1 0 349.395 -1.442 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254464 793224669 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C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152260319 793226301 /nfs/dbraw/zinc/22/63/01/793226301.db2.gz AKHAZIXXZKYOLR-LLVKDONJSA-N 1 0 337.384 -2.209 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152260320 793226583 /nfs/dbraw/zinc/22/65/83/793226583.db2.gz AKHAZIXXZKYOLR-NSHDSACASA-N 1 0 337.384 -2.209 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)NCc1ccco1 ZINC001152260745 793227137 /nfs/dbraw/zinc/22/71/37/793227137.db2.gz MNNGHVPANVHRMW-GFCCVEGCSA-N 1 0 349.391 -1.078 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)NCc1ccco1 ZINC001152260746 793227415 /nfs/dbraw/zinc/22/74/15/793227415.db2.gz MNNGHVPANVHRMW-LBPRGKRZSA-N 1 0 349.391 -1.078 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)NCc1ccco1 ZINC001152260871 793226669 /nfs/dbraw/zinc/22/66/69/793226669.db2.gz QXARQPSSSYQLGA-UHFFFAOYSA-N 1 0 335.364 -1.466 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)NCc1ccco1 ZINC001152260963 793226101 /nfs/dbraw/zinc/22/61/01/793226101.db2.gz UBWSKFLJMDRRDA-UHFFFAOYSA-N 1 0 336.352 -1.576 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)NC ZINC001152283097 793227241 /nfs/dbraw/zinc/22/72/41/793227241.db2.gz SNVNTGWEGMJWSG-UHFFFAOYSA-N 1 0 342.400 -1.588 20 30 EAEDRO CCCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152295958 793227335 /nfs/dbraw/zinc/22/73/35/793227335.db2.gz BSNFAFXYEZOQBF-UHFFFAOYSA-N 1 0 326.401 -1.180 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)NCCC ZINC001152296379 791108994 /nfs/dbraw/zinc/10/89/94/791108994.db2.gz HXURVKRAIYAVGZ-UHFFFAOYSA-N 1 0 325.413 -1.071 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CCC1 ZINC001152304158 793226964 /nfs/dbraw/zinc/22/69/64/793226964.db2.gz QLBXKXYIHACIDX-UHFFFAOYSA-N 1 0 339.396 -1.380 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152383591 793228438 /nfs/dbraw/zinc/22/84/38/793228438.db2.gz HTGRBUVMBAWUST-UHFFFAOYSA-N 1 0 332.426 -1.111 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152389992 793228674 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C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001152398739 793228122 /nfs/dbraw/zinc/22/81/22/793228122.db2.gz HUDMBZMFKONDLC-UHFFFAOYSA-N 1 0 342.400 -1.588 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152404476 793229148 /nfs/dbraw/zinc/22/91/48/793229148.db2.gz FCEDGNYQUJCPHK-UHFFFAOYSA-N 1 0 349.457 -1.495 20 30 EAEDRO Cc1sc(=O)n(CC(=O)NCC[NH2+]CC(=O)NCC#N)c1C ZINC001152404541 793228288 /nfs/dbraw/zinc/22/82/88/793228288.db2.gz IOXDIXYEKFYFBA-UHFFFAOYSA-N 1 0 325.394 -1.128 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152404551 793229276 /nfs/dbraw/zinc/22/92/76/793229276.db2.gz IXASOIGHRSUYBL-SECBINFHSA-N 1 0 342.400 -1.461 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152404553 793228960 /nfs/dbraw/zinc/22/89/60/793228960.db2.gz IXASOIGHRSUYBL-VIFPVBQESA-N 1 0 342.400 -1.461 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152404841 791196820 /nfs/dbraw/zinc/19/68/20/791196820.db2.gz 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/nfs/dbraw/zinc/33/31/76/793333176.db2.gz HVOFFSIYFJIEMS-NXEZZACHSA-N 1 0 341.368 -1.409 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370567 793333003 /nfs/dbraw/zinc/33/30/03/793333003.db2.gz HVOFFSIYFJIEMS-UWVGGRQHSA-N 1 0 341.368 -1.409 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370568 793332872 /nfs/dbraw/zinc/33/28/72/793332872.db2.gz HVOFFSIYFJIEMS-VHSXEESVSA-N 1 0 341.368 -1.409 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370569 793332502 /nfs/dbraw/zinc/33/25/02/793332502.db2.gz HVOFFSIYFJIEMS-ZJUUUORDSA-N 1 0 341.368 -1.409 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157473588 793336120 /nfs/dbraw/zinc/33/61/20/793336120.db2.gz GWVILDJSVSLKQM-JTQLQIEISA-N 1 0 337.384 -1.075 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157473589 793336641 /nfs/dbraw/zinc/33/66/41/793336641.db2.gz GWVILDJSVSLKQM-SNVBAGLBSA-N 1 0 337.384 -1.075 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157501838 793335564 /nfs/dbraw/zinc/33/55/64/793335564.db2.gz FYEJHJIRQLFSDR-JTQLQIEISA-N 1 0 337.384 -1.075 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157501839 793336463 /nfs/dbraw/zinc/33/64/63/793336463.db2.gz FYEJHJIRQLFSDR-SNVBAGLBSA-N 1 0 337.384 -1.075 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157502860 793335804 /nfs/dbraw/zinc/33/58/04/793335804.db2.gz ZWBCQNZNMAHLFP-UHFFFAOYSA-N 1 0 342.400 -1.587 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736226 793339595 /nfs/dbraw/zinc/33/95/95/793339595.db2.gz BYGLHRQZIWDCMR-UHFFFAOYSA-N 1 0 337.384 -1.237 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767819 793339764 /nfs/dbraw/zinc/33/97/64/793339764.db2.gz VZDUVKMMKOWBAP-NXEZZACHSA-N 1 0 327.341 -1.241 20 30 EAEDRO C#CCOCCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157846181 786833086 /nfs/dbraw/zinc/83/30/86/786833086.db2.gz ODRCKAMFFRWQQH-CYBMUJFWSA-N 1 0 339.392 -1.368 20 30 EAEDRO C#CCOCCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157846182 786833273 /nfs/dbraw/zinc/83/32/73/786833273.db2.gz ODRCKAMFFRWQQH-ZDUSSCGKSA-N 1 0 339.392 -1.368 20 30 EAEDRO C#CCOCCC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157852803 793340771 /nfs/dbraw/zinc/34/07/71/793340771.db2.gz JIAXUGGDJXVAQV-UHFFFAOYSA-N 1 0 336.392 -1.280 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(CCOC)nn1 ZINC001157863732 793341960 /nfs/dbraw/zinc/34/19/60/793341960.db2.gz QRMZKPXVGQTGGW-GFCCVEGCSA-N 1 0 336.396 -1.228 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(CCOC)nn1 ZINC001157863733 793340978 /nfs/dbraw/zinc/34/09/78/793340978.db2.gz QRMZKPXVGQTGGW-LBPRGKRZSA-N 1 0 336.396 -1.228 20 30 EAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001157870077 793340579 /nfs/dbraw/zinc/34/05/79/793340579.db2.gz WTQBGYOTMAEZKO-CYBMUJFWSA-N 1 0 340.424 -1.285 20 30 EAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001157870079 793341112 /nfs/dbraw/zinc/34/11/12/793341112.db2.gz WTQBGYOTMAEZKO-ZDUSSCGKSA-N 1 0 340.424 -1.285 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001157880175 793341265 /nfs/dbraw/zinc/34/12/65/793341265.db2.gz MTZOAPWSOXXNFW-CHWSQXEVSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001157880176 793340707 /nfs/dbraw/zinc/34/07/07/793340707.db2.gz MTZOAPWSOXXNFW-OLZOCXBDSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001157880177 793341878 /nfs/dbraw/zinc/34/18/78/793341878.db2.gz MTZOAPWSOXXNFW-QWHCGFSZSA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001157880178 793340549 /nfs/dbraw/zinc/34/05/49/793340549.db2.gz MTZOAPWSOXXNFW-STQMWFEESA-N 1 0 340.424 -1.287 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157880415 793342156 /nfs/dbraw/zinc/34/21/56/793342156.db2.gz PJIPOHWZNUFDDX-CHWSQXEVSA-N 1 0 339.392 -1.370 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157880417 793342209 /nfs/dbraw/zinc/34/22/09/793342209.db2.gz PJIPOHWZNUFDDX-OLZOCXBDSA-N 1 0 339.392 -1.370 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001157880491 793341741 /nfs/dbraw/zinc/34/17/41/793341741.db2.gz PJIPOHWZNUFDDX-QWHCGFSZSA-N 1 0 339.392 -1.370 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001157880492 793340599 /nfs/dbraw/zinc/34/05/99/793340599.db2.gz PJIPOHWZNUFDDX-STQMWFEESA-N 1 0 339.392 -1.370 20 30 EAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157881129 793340764 /nfs/dbraw/zinc/34/07/64/793340764.db2.gz WQIDTPJTEJSKHI-GFCCVEGCSA-N 1 0 336.392 -1.282 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001157881131 793341255 /nfs/dbraw/zinc/34/12/55/793341255.db2.gz WQIDTPJTEJSKHI-LBPRGKRZSA-N 1 0 336.392 -1.282 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCS(=O)(=O)NC)C1=O ZINC001157899873 793341790 /nfs/dbraw/zinc/34/17/90/793341790.db2.gz XWVINLGRENKQNG-GFCCVEGCSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCS(=O)(=O)NC)C1=O ZINC001157899874 793341103 /nfs/dbraw/zinc/34/11/03/793341103.db2.gz XWVINLGRENKQNG-LBPRGKRZSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906512 793343617 /nfs/dbraw/zinc/34/36/17/793343617.db2.gz MODFFEQICZIINY-LLVKDONJSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906513 793342586 /nfs/dbraw/zinc/34/25/86/793342586.db2.gz MODFFEQICZIINY-NSHDSACASA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157906514 786904574 /nfs/dbraw/zinc/90/45/74/786904574.db2.gz MOHFLUNVMKEWRW-UHFFFAOYSA-N 1 0 349.457 -1.877 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906789 793342454 /nfs/dbraw/zinc/34/24/54/793342454.db2.gz PDFWFEAEQOWBTO-LLVKDONJSA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157906791 793343682 /nfs/dbraw/zinc/34/36/82/793343682.db2.gz PDFWFEAEQOWBTO-NSHDSACASA-N 1 0 332.426 -1.841 20 30 EAEDRO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157907344 793343606 /nfs/dbraw/zinc/34/36/06/793343606.db2.gz XYIBTVWUETXPGI-UHFFFAOYSA-N 1 0 348.429 -2.540 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157912284 793342836 /nfs/dbraw/zinc/34/28/36/793342836.db2.gz MHVDTORFHXIOLC-UHFFFAOYSA-N 1 0 347.441 -2.430 20 30 EAEDRO COCC#CC[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157912884 793343221 /nfs/dbraw/zinc/34/32/21/793343221.db2.gz ZNNCKQNEPDLZPN-UHFFFAOYSA-N 1 0 334.442 -1.530 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157932000 793342903 /nfs/dbraw/zinc/34/29/03/793342903.db2.gz FCSLWHNLWDYOGW-GFCCVEGCSA-N 1 0 342.396 -1.100 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157932001 793343150 /nfs/dbraw/zinc/34/31/50/793343150.db2.gz FCSLWHNLWDYOGW-LBPRGKRZSA-N 1 0 342.396 -1.100 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157938851 793344850 /nfs/dbraw/zinc/34/48/50/793344850.db2.gz FHRPJXOGDOYVNY-JTQLQIEISA-N 1 0 342.400 -1.459 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157938855 793343940 /nfs/dbraw/zinc/34/39/40/793343940.db2.gz FHRPJXOGDOYVNY-SNVBAGLBSA-N 1 0 342.400 -1.459 20 30 EAEDRO CS(=O)(=O)CC1(CC(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001157981121 793346219 /nfs/dbraw/zinc/34/62/19/793346219.db2.gz MTBPFQAIJUCISG-UHFFFAOYSA-N 1 0 344.437 -1.063 20 30 EAEDRO N#C[C@@H]1CNCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157982228 793345379 /nfs/dbraw/zinc/34/53/79/793345379.db2.gz JZCJUHKJGWHGQN-NEPJUHHUSA-N 1 0 326.422 -1.275 20 30 EAEDRO N#C[C@H]1CNCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157982229 793346482 /nfs/dbraw/zinc/34/64/82/793346482.db2.gz JZCJUHKJGWHGQN-NWDGAFQWSA-N 1 0 326.422 -1.275 20 30 EAEDRO N#C[C@H]1CNCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157982230 793346207 /nfs/dbraw/zinc/34/62/07/793346207.db2.gz JZCJUHKJGWHGQN-RYUDHWBXSA-N 1 0 326.422 -1.275 20 30 EAEDRO N#C[C@@H]1CNCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157982231 793346594 /nfs/dbraw/zinc/34/65/94/793346594.db2.gz JZCJUHKJGWHGQN-VXGBXAGGSA-N 1 0 326.422 -1.275 20 30 EAEDRO N#C[C@@H]1CNCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157982522 793346377 /nfs/dbraw/zinc/34/63/77/793346377.db2.gz NUDOUJBGCMLYKW-SECBINFHSA-N 1 0 339.356 -4.382 20 30 EAEDRO N#C[C@H]1CNCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157982523 793345859 /nfs/dbraw/zinc/34/58/59/793345859.db2.gz NUDOUJBGCMLYKW-VIFPVBQESA-N 1 0 339.356 -4.382 20 30 EAEDRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157982945 793346254 /nfs/dbraw/zinc/34/62/54/793346254.db2.gz WYRNEXANWBWWBQ-SRVKXCTJSA-N 1 0 336.396 -2.235 20 30 EAEDRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157982946 793346151 /nfs/dbraw/zinc/34/61/51/793346151.db2.gz WYRNEXANWBWWBQ-TUAOUCFPSA-N 1 0 336.396 -2.235 20 30 EAEDRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001158005954 793346911 /nfs/dbraw/zinc/34/69/11/793346911.db2.gz GFEYBKQMVKTHJP-OUAUKWLOSA-N 1 0 349.409 -1.943 20 30 EAEDRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001158005955 793348018 /nfs/dbraw/zinc/34/80/18/793348018.db2.gz GFEYBKQMVKTHJP-VWYCJHECSA-N 1 0 349.409 -1.943 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158038093 793348233 /nfs/dbraw/zinc/34/82/33/793348233.db2.gz MWMBGICNHDLGEJ-LLVKDONJSA-N 1 0 347.379 -1.502 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158038094 793347412 /nfs/dbraw/zinc/34/74/12/793347412.db2.gz MWMBGICNHDLGEJ-NSHDSACASA-N 1 0 347.379 -1.502 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040491 793348381 /nfs/dbraw/zinc/34/83/81/793348381.db2.gz XCPMDSFAJNBRRH-GFCCVEGCSA-N 1 0 346.391 -1.392 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158040492 793348507 /nfs/dbraw/zinc/34/85/07/793348507.db2.gz XCPMDSFAJNBRRH-LBPRGKRZSA-N 1 0 346.391 -1.392 20 30 EAEDRO CC1(C)CC(=O)N(CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1=O ZINC001158122070 793350809 /nfs/dbraw/zinc/35/08/09/793350809.db2.gz HURFCTVHMJHQNF-UHFFFAOYSA-N 1 0 337.380 -1.493 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001158122767 793351443 /nfs/dbraw/zinc/35/14/43/793351443.db2.gz WIBFKVXFEOMJTL-UHFFFAOYSA-N 1 0 336.392 -1.383 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158175785 793352436 /nfs/dbraw/zinc/35/24/36/793352436.db2.gz FSMSNTMNEGARPX-JTQLQIEISA-N 1 0 338.372 -1.831 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158175786 793352162 /nfs/dbraw/zinc/35/21/62/793352162.db2.gz FSMSNTMNEGARPX-SNVBAGLBSA-N 1 0 338.372 -1.831 20 30 EAEDRO C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001158335810 793355054 /nfs/dbraw/zinc/35/50/54/793355054.db2.gz CPPKWJPLLLDCMT-GFCCVEGCSA-N 1 0 333.396 -1.114 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337186 793355779 /nfs/dbraw/zinc/35/57/79/793355779.db2.gz HKVDNYRBXQWEGL-LLVKDONJSA-N 1 0 349.395 -1.740 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001158337187 793355251 /nfs/dbraw/zinc/35/52/51/793355251.db2.gz HKVDNYRBXQWEGL-NSHDSACASA-N 1 0 349.395 -1.740 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337211 793356273 /nfs/dbraw/zinc/35/62/73/793356273.db2.gz IXHWHAPOEFHGAF-JTQLQIEISA-N 1 0 335.368 -2.389 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337212 793355126 /nfs/dbraw/zinc/35/51/26/793355126.db2.gz IXHWHAPOEFHGAF-SNVBAGLBSA-N 1 0 335.368 -2.389 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337557 793357933 /nfs/dbraw/zinc/35/79/33/793357933.db2.gz RNJLCRQYXUOKLB-JTQLQIEISA-N 1 0 337.384 -1.836 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337560 793356976 /nfs/dbraw/zinc/35/69/76/793356976.db2.gz RNJLCRQYXUOKLB-SNVBAGLBSA-N 1 0 337.384 -1.836 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158566009 793361360 /nfs/dbraw/zinc/36/13/60/793361360.db2.gz JHKBYDXYKBHKFP-LLVKDONJSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158566010 793361442 /nfs/dbraw/zinc/36/14/42/793361442.db2.gz JHKBYDXYKBHKFP-NSHDSACASA-N 1 0 334.442 -1.288 20 30 EAEDRO CCS(=O)(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001158566067 793360211 /nfs/dbraw/zinc/36/02/11/793360211.db2.gz LGNUESIEKKUEQP-JTQLQIEISA-N 1 0 333.414 -1.950 20 30 EAEDRO CCS(=O)(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001158566068 793360702 /nfs/dbraw/zinc/36/07/02/793360702.db2.gz LGNUESIEKKUEQP-SNVBAGLBSA-N 1 0 333.414 -1.950 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158566100 793361297 /nfs/dbraw/zinc/36/12/97/793361297.db2.gz LUSUZTXZTIFPRT-LLVKDONJSA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158566101 793360968 /nfs/dbraw/zinc/36/09/68/793360968.db2.gz LUSUZTXZTIFPRT-NSHDSACASA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158578180 793362293 /nfs/dbraw/zinc/36/22/93/793362293.db2.gz GOWJKUOGAINJOB-NEPJUHHUSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158578181 793362467 /nfs/dbraw/zinc/36/24/67/793362467.db2.gz GOWJKUOGAINJOB-NWDGAFQWSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001158578183 793362315 /nfs/dbraw/zinc/36/23/15/793362315.db2.gz GOWJKUOGAINJOB-RYUDHWBXSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158578184 793361799 /nfs/dbraw/zinc/36/17/99/793361799.db2.gz GOWJKUOGAINJOB-VXGBXAGGSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccncc1 ZINC001158594829 793362507 /nfs/dbraw/zinc/36/25/07/793362507.db2.gz FVQLGLCRQDJZMX-UHFFFAOYSA-N 1 0 331.376 -1.343 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)c1ccncc1 ZINC001158604016 793361809 /nfs/dbraw/zinc/36/18/09/793361809.db2.gz STNQMDSROHYNHU-UHFFFAOYSA-N 1 0 332.364 -1.453 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158681374 793363952 /nfs/dbraw/zinc/36/39/52/793363952.db2.gz CZCUEYJESLXESC-NEPJUHHUSA-N 1 0 326.397 -1.629 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158681376 793363070 /nfs/dbraw/zinc/36/30/70/793363070.db2.gz CZCUEYJESLXESC-NWDGAFQWSA-N 1 0 326.397 -1.629 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158681378 793363961 /nfs/dbraw/zinc/36/39/61/793363961.db2.gz CZCUEYJESLXESC-RYUDHWBXSA-N 1 0 326.397 -1.629 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158681379 793363706 /nfs/dbraw/zinc/36/37/06/793363706.db2.gz CZCUEYJESLXESC-VXGBXAGGSA-N 1 0 326.397 -1.629 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158683470 793363501 /nfs/dbraw/zinc/36/35/01/793363501.db2.gz OXLUHFKOACFFQU-NEPJUHHUSA-N 1 0 328.413 -1.076 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158683471 793363857 /nfs/dbraw/zinc/36/38/57/793363857.db2.gz OXLUHFKOACFFQU-NWDGAFQWSA-N 1 0 328.413 -1.076 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158683473 793362956 /nfs/dbraw/zinc/36/29/56/793362956.db2.gz OXLUHFKOACFFQU-RYUDHWBXSA-N 1 0 328.413 -1.076 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158683474 793363756 /nfs/dbraw/zinc/36/37/56/793363756.db2.gz OXLUHFKOACFFQU-VXGBXAGGSA-N 1 0 328.413 -1.076 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001158733369 793364404 /nfs/dbraw/zinc/36/44/04/793364404.db2.gz CZNGAYYIOGFEJY-UHFFFAOYSA-N 1 0 335.412 -1.184 20 30 EAEDRO CC(C)(C)n1nnc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001158734068 793364912 /nfs/dbraw/zinc/36/49/12/793364912.db2.gz SLOQNGZZPSPRDE-UHFFFAOYSA-N 1 0 336.400 -1.294 20 30 EAEDRO C#C[C@](C)(N)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735981 793364328 /nfs/dbraw/zinc/36/43/28/793364328.db2.gz YCCJDOWQDUTPMT-ZDUSSCGKSA-N 1 0 326.378 -1.041 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158782888 793364441 /nfs/dbraw/zinc/36/44/41/793364441.db2.gz ARTFTHVHNUPNCY-UHFFFAOYSA-N 1 0 346.409 -1.861 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158783849 787176370 /nfs/dbraw/zinc/17/63/70/787176370.db2.gz QFSVVCYCWUJXMX-UHFFFAOYSA-N 1 0 344.437 -1.111 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C2CS(=O)(=O)C2)C1=O ZINC001158792226 793364662 /nfs/dbraw/zinc/36/46/62/793364662.db2.gz UNDGMOLCNXVDPY-GFCCVEGCSA-N 1 0 329.422 -1.086 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)C2CS(=O)(=O)C2)C1=O ZINC001158792227 793365374 /nfs/dbraw/zinc/36/53/74/793365374.db2.gz UNDGMOLCNXVDPY-LBPRGKRZSA-N 1 0 329.422 -1.086 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cccn2nnnc12 ZINC001158857490 793368573 /nfs/dbraw/zinc/36/85/73/793368573.db2.gz PZQDYKLIRACZIQ-LLVKDONJSA-N 1 0 329.364 -1.028 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cccn2nnnc12 ZINC001158857492 793368001 /nfs/dbraw/zinc/36/80/01/793368001.db2.gz PZQDYKLIRACZIQ-NSHDSACASA-N 1 0 329.364 -1.028 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158921812 793368314 /nfs/dbraw/zinc/36/83/14/793368314.db2.gz OSLSDICGFBFPTM-LLVKDONJSA-N 1 0 337.384 -1.226 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158921816 793367579 /nfs/dbraw/zinc/36/75/79/793367579.db2.gz OSLSDICGFBFPTM-NSHDSACASA-N 1 0 337.384 -1.226 20 30 EAEDRO C#C[C@](C)([NH3+])C(=O)N1Cc2ccnn2C[C@@H](C(=O)NCCOC)C1 ZINC001158991618 793373538 /nfs/dbraw/zinc/37/35/38/793373538.db2.gz OPIXNNVZENMMBW-LRDDRELGSA-N 1 0 333.392 -1.045 20 30 EAEDRO C#C[C@](C)([NH3+])C(=O)N1Cc2ccnn2C[C@H](C(=O)NCCOC)C1 ZINC001158991626 793374368 /nfs/dbraw/zinc/37/43/68/793374368.db2.gz OPIXNNVZENMMBW-WBMJQRKESA-N 1 0 333.392 -1.045 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159183898 793374509 /nfs/dbraw/zinc/37/45/09/793374509.db2.gz CIKJQRZUQPQJPH-LLVKDONJSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159183899 793375497 /nfs/dbraw/zinc/37/54/97/793375497.db2.gz CIKJQRZUQPQJPH-NSHDSACASA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)C1=O ZINC001159183991 793374642 /nfs/dbraw/zinc/37/46/42/793374642.db2.gz FOERMXVPYXQUFV-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)C1=O ZINC001159183995 793375665 /nfs/dbraw/zinc/37/56/65/793375665.db2.gz FOERMXVPYXQUFV-LBPRGKRZSA-N 1 0 346.453 -1.239 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184834 793374559 /nfs/dbraw/zinc/37/45/59/793374559.db2.gz QHIONCFUCHOFMI-LLVKDONJSA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184835 793374854 /nfs/dbraw/zinc/37/48/54/793374854.db2.gz QHIONCFUCHOFMI-NSHDSACASA-N 1 0 332.426 -1.841 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)C1=O ZINC001159194714 793376921 /nfs/dbraw/zinc/37/69/21/793376921.db2.gz CLMAZKRBUKPBIG-GFCCVEGCSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCNS(C)(=O)=O)C1=O ZINC001159194715 793376558 /nfs/dbraw/zinc/37/65/58/793376558.db2.gz CLMAZKRBUKPBIG-LBPRGKRZSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159200493 793375945 /nfs/dbraw/zinc/37/59/45/793375945.db2.gz AOWYPYXQPLIIAD-LLVKDONJSA-N 1 0 334.442 -1.288 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159200494 793376511 /nfs/dbraw/zinc/37/65/11/793376511.db2.gz AOWYPYXQPLIIAD-NSHDSACASA-N 1 0 334.442 -1.288 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159200557 793376844 /nfs/dbraw/zinc/37/68/44/793376844.db2.gz DMCZTRSFXHWOCL-LLVKDONJSA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159200558 793376071 /nfs/dbraw/zinc/37/60/71/793376071.db2.gz DMCZTRSFXHWOCL-NSHDSACASA-N 1 0 332.426 -1.841 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159200705 787245304 /nfs/dbraw/zinc/24/53/04/787245304.db2.gz GUHZCJOEPLYGFJ-LLVKDONJSA-N 1 0 332.426 -1.888 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159200708 787244636 /nfs/dbraw/zinc/24/46/36/787244636.db2.gz GUHZCJOEPLYGFJ-NSHDSACASA-N 1 0 332.426 -1.888 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CNS(=O)(=O)CC)C1=O ZINC001159201126 793376109 /nfs/dbraw/zinc/37/61/09/793376109.db2.gz QFDSKQWIXMBTBO-GFCCVEGCSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CNS(=O)(=O)CC)C1=O ZINC001159201127 793376895 /nfs/dbraw/zinc/37/68/95/793376895.db2.gz QFDSKQWIXMBTBO-LBPRGKRZSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159208935 793378095 /nfs/dbraw/zinc/37/80/95/793378095.db2.gz NIXBHLKQDVJFEC-LLVKDONJSA-N 1 0 334.442 -1.336 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159208936 793377401 /nfs/dbraw/zinc/37/74/01/793377401.db2.gz NIXBHLKQDVJFEC-NSHDSACASA-N 1 0 334.442 -1.336 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159211159 793378105 /nfs/dbraw/zinc/37/81/05/793378105.db2.gz YPEQUBUSEFHSDE-GFCCVEGCSA-N 1 0 335.408 -1.069 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159211160 793377828 /nfs/dbraw/zinc/37/78/28/793377828.db2.gz YPEQUBUSEFHSDE-LBPRGKRZSA-N 1 0 335.408 -1.069 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159217018 793378190 /nfs/dbraw/zinc/37/81/90/793378190.db2.gz AFGGCULOCCEACX-CYBMUJFWSA-N 1 0 345.407 -1.051 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159217019 793378147 /nfs/dbraw/zinc/37/81/47/793378147.db2.gz AFGGCULOCCEACX-ZDUSSCGKSA-N 1 0 345.407 -1.051 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)C(=O)COC)C1=O ZINC001159224483 793377305 /nfs/dbraw/zinc/37/73/05/793377305.db2.gz VTPQXXKKEGFLGL-CYBMUJFWSA-N 1 0 340.424 -1.026 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CN(C)C(=O)COC)C1=O ZINC001159224484 793377509 /nfs/dbraw/zinc/37/75/09/793377509.db2.gz VTPQXXKKEGFLGL-ZDUSSCGKSA-N 1 0 340.424 -1.026 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159229402 787254016 /nfs/dbraw/zinc/25/40/16/787254016.db2.gz ARTYSSHROJAZNW-GFCCVEGCSA-N 1 0 328.413 -1.122 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159229405 787253620 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C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159307057 793382603 /nfs/dbraw/zinc/38/26/03/793382603.db2.gz COAMIKSXQFLCQA-NEPJUHHUSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001159307058 793382739 /nfs/dbraw/zinc/38/27/39/793382739.db2.gz COAMIKSXQFLCQA-NWDGAFQWSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159307060 793382886 /nfs/dbraw/zinc/38/28/86/793382886.db2.gz COAMIKSXQFLCQA-RYUDHWBXSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001159307061 793382862 /nfs/dbraw/zinc/38/28/62/793382862.db2.gz COAMIKSXQFLCQA-VXGBXAGGSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCN1C(=O)CCC1=O ZINC001159312559 787265190 /nfs/dbraw/zinc/26/51/90/787265190.db2.gz KBLHTSYRHJRAIC-UHFFFAOYSA-N 1 0 336.392 -1.239 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322227 793382835 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CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159335342 793384054 /nfs/dbraw/zinc/38/40/54/793384054.db2.gz YQHMGYQVKBCQFL-UHFFFAOYSA-N 1 0 326.401 -1.227 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159341081 793383726 /nfs/dbraw/zinc/38/37/26/793383726.db2.gz JJWGVHZSEXXCAB-UHFFFAOYSA-N 1 0 328.373 -1.977 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159362557 793384992 /nfs/dbraw/zinc/38/49/92/793384992.db2.gz ILTXJLQAYRICFP-JTQLQIEISA-N 1 0 342.400 -1.588 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159362558 793385073 /nfs/dbraw/zinc/38/50/73/793385073.db2.gz ILTXJLQAYRICFP-SNVBAGLBSA-N 1 0 342.400 -1.588 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCS1(=O)=O ZINC001159368591 787270929 /nfs/dbraw/zinc/27/09/29/787270929.db2.gz MFRWGNJPVUSCRU-UHFFFAOYSA-N 1 0 331.398 -2.242 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCS1(=O)=O ZINC001159368639 787270964 /nfs/dbraw/zinc/27/09/64/787270964.db2.gz 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ZINC001159798258 793391482 /nfs/dbraw/zinc/39/14/82/793391482.db2.gz ASWQLXVKFBVZQM-LLVKDONJSA-N 1 0 339.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159798260 793391124 /nfs/dbraw/zinc/39/11/24/793391124.db2.gz ASWQLXVKFBVZQM-NSHDSACASA-N 1 0 339.396 -1.380 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001159831028 793391235 /nfs/dbraw/zinc/39/12/35/793391235.db2.gz HWLWTNNOHLODCG-GFCCVEGCSA-N 1 0 329.422 -1.201 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001159831029 793391458 /nfs/dbraw/zinc/39/14/58/793391458.db2.gz HWLWTNNOHLODCG-LBPRGKRZSA-N 1 0 329.422 -1.201 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001159837230 787341491 /nfs/dbraw/zinc/34/14/91/787341491.db2.gz BVPWPPONWFAAPX-LLVKDONJSA-N 1 0 330.410 -1.311 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001159837247 787341837 /nfs/dbraw/zinc/34/18/37/787341837.db2.gz BVPWPPONWFAAPX-NSHDSACASA-N 1 0 330.410 -1.311 20 30 EAEDRO CN(C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159876954 793391189 /nfs/dbraw/zinc/39/11/89/793391189.db2.gz LNNFHDFCBQBGHT-CYBMUJFWSA-N 1 0 335.412 -1.451 20 30 EAEDRO CN(C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159876962 793391440 /nfs/dbraw/zinc/39/14/40/793391440.db2.gz LNNFHDFCBQBGHT-ZDUSSCGKSA-N 1 0 335.412 -1.451 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001159878669 793392977 /nfs/dbraw/zinc/39/29/77/793392977.db2.gz YUNWPAZULHFNET-AWEZNQCLSA-N 1 0 334.424 -1.341 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001159878671 793393122 /nfs/dbraw/zinc/39/31/22/793393122.db2.gz YUNWPAZULHFNET-CQSZACIVSA-N 1 0 334.424 -1.341 20 30 EAEDRO C#C[C@](C)([NH3+])C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001160007770 793393595 /nfs/dbraw/zinc/39/35/95/793393595.db2.gz OLFGEVXTACBBMG-DYEKYZERSA-N 1 0 328.438 -1.076 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CCOCC2=O)C1=O ZINC001160020597 793394127 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N#CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NCC(F)(F)F ZINC001169621434 786525095 /nfs/dbraw/zinc/52/50/95/786525095.db2.gz SMZUGOBFPRLFSA-UHFFFAOYSA-N 1 0 337.302 -1.209 20 30 EAEDRO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001169650660 786528079 /nfs/dbraw/zinc/52/80/79/786528079.db2.gz AWGZRZVZMOPLFK-ODXJTPSBSA-N 1 0 348.396 -1.771 20 30 EAEDRO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001169650661 786527666 /nfs/dbraw/zinc/52/76/66/786527666.db2.gz AWGZRZVZMOPLFK-XVIXHAIJSA-N 1 0 348.396 -1.771 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C1(N2CCOCC2)CCC1 ZINC001169774232 786543100 /nfs/dbraw/zinc/54/31/00/786543100.db2.gz AQYQKKWJSYAACQ-UHFFFAOYSA-N 1 0 337.424 -1.023 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001169774630 786538015 /nfs/dbraw/zinc/53/80/15/786538015.db2.gz FLWPTZKZQSAFJV-UHFFFAOYSA-N 1 0 329.422 -1.201 20 30 EAEDRO CS(=O)(=O)C1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001169775019 786538636 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C#CCNC(=O)C[NH2+]CCCNC(=O)COCc1nc(CC)no1 ZINC001170711240 787209323 /nfs/dbraw/zinc/20/93/23/787209323.db2.gz QUSCXDSYZSBIEN-UHFFFAOYSA-N 1 0 337.380 -1.006 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCC(=O)NCCCOC ZINC001170735010 787225032 /nfs/dbraw/zinc/22/50/32/787225032.db2.gz UJBUAXOVURTDAM-UHFFFAOYSA-N 1 0 340.424 -1.235 20 30 EAEDRO COCCCNC(=O)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001170735068 787225436 /nfs/dbraw/zinc/22/54/36/787225436.db2.gz XLVRPZMCSULHQW-UHFFFAOYSA-N 1 0 341.412 -1.345 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170735105 787225464 /nfs/dbraw/zinc/22/54/64/787225464.db2.gz ZMKSSVSQOUSNKE-JTQLQIEISA-N 1 0 337.384 -1.157 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170735106 787224992 /nfs/dbraw/zinc/22/49/92/787224992.db2.gz ZMKSSVSQOUSNKE-SNVBAGLBSA-N 1 0 337.384 -1.157 20 30 EAEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170783919 787269365 /nfs/dbraw/zinc/26/93/65/787269365.db2.gz 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787412466 /nfs/dbraw/zinc/41/24/66/787412466.db2.gz KXPXOEQLIHVRNA-UHFFFAOYSA-N 1 0 329.364 -1.108 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171044936 787412484 /nfs/dbraw/zinc/41/24/84/787412484.db2.gz CFTXSTQAVWYANH-LLVKDONJSA-N 1 0 337.380 -1.886 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171044937 787413249 /nfs/dbraw/zinc/41/32/49/787413249.db2.gz CFTXSTQAVWYANH-NSHDSACASA-N 1 0 337.380 -1.886 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171046313 787412825 /nfs/dbraw/zinc/41/28/25/787412825.db2.gz NBOPJVOJBVUKBT-LLVKDONJSA-N 1 0 339.396 -1.333 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171046330 787412104 /nfs/dbraw/zinc/41/21/04/787412104.db2.gz NBOPJVOJBVUKBT-NSHDSACASA-N 1 0 339.396 -1.333 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171046441 787414233 /nfs/dbraw/zinc/41/42/33/787414233.db2.gz OOXHJUMNKQWJDN-UHFFFAOYSA-N 1 0 337.336 -1.645 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171046861 787414490 /nfs/dbraw/zinc/41/44/90/787414490.db2.gz QQCXMLZMPQRESV-UHFFFAOYSA-N 1 0 339.352 -1.092 20 30 EAEDRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171047176 787414416 /nfs/dbraw/zinc/41/44/16/787414416.db2.gz UEVFNNJFIOIOMO-UHFFFAOYSA-N 1 0 338.324 -1.754 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001171054437 787415932 /nfs/dbraw/zinc/41/59/32/787415932.db2.gz STZOMWYJHHPDRA-UHFFFAOYSA-N 1 0 330.348 -1.106 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001171054512 787415612 /nfs/dbraw/zinc/41/56/12/787415612.db2.gz UMINCIXHQWWFEG-UHFFFAOYSA-N 1 0 331.336 -1.216 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080631 787438699 /nfs/dbraw/zinc/43/86/99/787438699.db2.gz YMRCWBXGSRDTLQ-UHFFFAOYSA-N 1 0 333.352 -1.571 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171085870 787440755 /nfs/dbraw/zinc/44/07/55/787440755.db2.gz FXPHFOADZNEIIB-JTQLQIEISA-N 1 0 345.363 -1.735 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171085871 787440915 /nfs/dbraw/zinc/44/09/15/787440915.db2.gz FXPHFOADZNEIIB-SNVBAGLBSA-N 1 0 345.363 -1.735 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171086658 787441285 /nfs/dbraw/zinc/44/12/85/787441285.db2.gz RPCLFSLLNAYROP-JTQLQIEISA-N 1 0 347.379 -1.182 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)n2nc[nH]c2n1 ZINC001171086659 787441334 /nfs/dbraw/zinc/44/13/34/787441334.db2.gz RPCLFSLLNAYROP-SNVBAGLBSA-N 1 0 347.379 -1.182 20 30 EAEDRO CNC(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171109173 787443793 /nfs/dbraw/zinc/44/37/93/787443793.db2.gz PGXCVWFRIQSPRZ-LLVKDONJSA-N 1 0 326.401 -1.180 20 30 EAEDRO CNC(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171109174 787444482 /nfs/dbraw/zinc/44/44/82/787444482.db2.gz PGXCVWFRIQSPRZ-NSHDSACASA-N 1 0 326.401 -1.180 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)NC ZINC001171109657 787444011 /nfs/dbraw/zinc/44/40/11/787444011.db2.gz RVQDBPVNMDLVFW-GFCCVEGCSA-N 1 0 325.413 -1.071 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CNC(=O)NC ZINC001171109660 787444148 /nfs/dbraw/zinc/44/41/48/787444148.db2.gz RVQDBPVNMDLVFW-LBPRGKRZSA-N 1 0 325.413 -1.071 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001171135250 787447540 /nfs/dbraw/zinc/44/75/40/787447540.db2.gz AMMLKPLQSWNUGF-GFCCVEGCSA-N 1 0 325.413 -1.085 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001171135255 787446855 /nfs/dbraw/zinc/44/68/55/787446855.db2.gz AMMLKPLQSWNUGF-LBPRGKRZSA-N 1 0 325.413 -1.085 20 30 EAEDRO CC(C)(C)S(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171135746 787447855 /nfs/dbraw/zinc/44/78/55/787447855.db2.gz LMOALBIHAYEAQJ-UHFFFAOYSA-N 1 0 332.426 -1.065 20 30 EAEDRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171136336 787446437 /nfs/dbraw/zinc/44/64/37/787446437.db2.gz YESJWCUYBJDMRI-LLVKDONJSA-N 1 0 326.401 -1.195 20 30 EAEDRO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171136337 787447617 /nfs/dbraw/zinc/44/76/17/787447617.db2.gz YESJWCUYBJDMRI-NSHDSACASA-N 1 0 326.401 -1.195 20 30 EAEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001171201316 787467773 /nfs/dbraw/zinc/46/77/73/787467773.db2.gz KGIOHRIDPFPCSG-LLVKDONJSA-N 1 0 331.376 -1.203 20 30 EAEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001171201317 787467516 /nfs/dbraw/zinc/46/75/16/787467516.db2.gz KGIOHRIDPFPCSG-NSHDSACASA-N 1 0 331.376 -1.203 20 30 EAEDRO C[Si](C)(C)C=C=Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263830 787497630 /nfs/dbraw/zinc/49/76/30/787497630.db2.gz VABRWCNRAWIALX-OJAKKHQRSA-N 1 0 338.440 -1.094 20 30 EAEDRO CNC(=O)c1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001171444075 787707986 /nfs/dbraw/zinc/70/79/86/787707986.db2.gz MDZMGVSLPXDPPK-UHFFFAOYSA-N 1 0 332.364 -1.210 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(C(=O)NC)nc1 ZINC001171444176 787708059 /nfs/dbraw/zinc/70/80/59/787708059.db2.gz OBAZLUAYDDSKCP-UHFFFAOYSA-N 1 0 331.376 -1.100 20 30 EAEDRO C#CCOc1ncccc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171548839 787802551 /nfs/dbraw/zinc/80/25/51/787802551.db2.gz HPFHNSUBOQXCKD-UHFFFAOYSA-N 1 0 333.348 -1.002 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001171569144 787802890 /nfs/dbraw/zinc/80/28/90/787802890.db2.gz WVKQDQIZWVPQPJ-UHFFFAOYSA-N 1 0 343.343 -1.081 20 30 EAEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)nc1 ZINC001171585523 787801610 /nfs/dbraw/zinc/80/16/10/787801610.db2.gz YCYWBBOUALWQMT-UHFFFAOYSA-N 1 0 343.387 -1.269 20 30 EAEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)cn1 ZINC001171595185 787805014 /nfs/dbraw/zinc/80/50/14/787805014.db2.gz XBHXXEXQSGIAPW-UHFFFAOYSA-N 1 0 343.387 -1.269 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171620764 787805046 /nfs/dbraw/zinc/80/50/46/787805046.db2.gz HRSIQOUXCKIMDU-MNOVXSKESA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171620766 787804026 /nfs/dbraw/zinc/80/40/26/787804026.db2.gz HRSIQOUXCKIMDU-QWRGUYRKSA-N 1 0 339.396 -1.239 20 30 EAEDRO C[NH+]1C(C)(C)CC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1(C)C ZINC001171622236 787805244 /nfs/dbraw/zinc/80/52/44/787805244.db2.gz YCMHBKOJZZVXPQ-REWJHTLYSA-N 1 0 332.441 -1.130 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171624570 787806417 /nfs/dbraw/zinc/80/64/17/787806417.db2.gz VKLPXAIIEMCGLZ-JTQLQIEISA-N 1 0 325.369 -1.627 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171710048 787805892 /nfs/dbraw/zinc/80/58/92/787805892.db2.gz RZTLTCARNPNFQC-CYBMUJFWSA-N 1 0 333.392 -1.214 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171710049 787805803 /nfs/dbraw/zinc/80/58/03/787805803.db2.gz RZTLTCARNPNFQC-ZDUSSCGKSA-N 1 0 333.392 -1.214 20 30 EAEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890510 787808142 /nfs/dbraw/zinc/80/81/42/787808142.db2.gz XYHKUSMPWRVSLS-NEPJUHHUSA-N 1 0 329.422 -1.203 20 30 EAEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001171890513 787807168 /nfs/dbraw/zinc/80/71/68/787807168.db2.gz XYHKUSMPWRVSLS-RYUDHWBXSA-N 1 0 329.422 -1.203 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCCC[NH2+]CC#CCOC ZINC001171929104 787807227 /nfs/dbraw/zinc/80/72/27/787807227.db2.gz FVXAMWVUVFMXJD-CYBMUJFWSA-N 1 0 348.469 -1.045 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCCC[NH2+]CC#CCOC ZINC001171929105 787807181 /nfs/dbraw/zinc/80/71/81/787807181.db2.gz FVXAMWVUVFMXJD-ZDUSSCGKSA-N 1 0 348.469 -1.045 20 30 EAEDRO CCOC(=O)C1(C)CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001171939370 787808100 /nfs/dbraw/zinc/80/81/00/787808100.db2.gz PLILWASZTRPNLW-GGLWRLFPSA-N 1 0 347.408 -1.270 20 30 EAEDRO O=C[C@H](N[C@H]1CSc2ccccc2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172186566 787809776 /nfs/dbraw/zinc/80/97/76/787809776.db2.gz FJCHOKCKLYRGKD-BUONHZGMSA-N 1 0 327.402 -1.065 20 30 EAEDRO O=C[C@H](N[C@@H]1CSc2ccccc2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172186567 787809943 /nfs/dbraw/zinc/80/99/43/787809943.db2.gz FJCHOKCKLYRGKD-CWFCOSEVSA-N 1 0 327.402 -1.065 20 30 EAEDRO COCCC[NH+]1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001172245024 787811983 /nfs/dbraw/zinc/81/19/83/787811983.db2.gz NJAPMPRCIPNPAA-GBJTYRQASA-N 1 0 334.413 -2.281 20 30 EAEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001172303743 787810499 /nfs/dbraw/zinc/81/04/99/787810499.db2.gz DLYMAGCUJCZMPU-LLVKDONJSA-N 1 0 331.376 -1.203 20 30 EAEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001172303744 787810543 /nfs/dbraw/zinc/81/05/43/787810543.db2.gz DLYMAGCUJCZMPU-NSHDSACASA-N 1 0 331.376 -1.203 20 30 EAEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001172775156 787813948 /nfs/dbraw/zinc/81/39/48/787813948.db2.gz ZLRIJPITEHHYJL-BUCHIQEDSA-N 1 0 333.381 -1.660 20 30 EAEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001172775157 787814547 /nfs/dbraw/zinc/81/45/47/787814547.db2.gz ZLRIJPITEHHYJL-GSZZWUTPSA-N 1 0 333.381 -1.660 20 30 EAEDRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001172775158 787813478 /nfs/dbraw/zinc/81/34/78/787813478.db2.gz ZLRIJPITEHHYJL-QEHJDLSMSA-N 1 0 333.381 -1.660 20 30 EAEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001172775159 787814093 /nfs/dbraw/zinc/81/40/93/787814093.db2.gz ZLRIJPITEHHYJL-XADZXUCXSA-N 1 0 333.381 -1.660 20 30 EAEDRO O=C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173040937 787814797 /nfs/dbraw/zinc/81/47/97/787814797.db2.gz PXUWLBYWDAHRDN-GBJTYRQASA-N 1 0 331.409 -1.042 20 30 EAEDRO C=CCOC1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001173319802 787819364 /nfs/dbraw/zinc/81/93/64/787819364.db2.gz WNUKEIWSPXNSIE-UHFFFAOYSA-N 1 0 326.397 -1.193 20 30 EAEDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173629680 787821853 /nfs/dbraw/zinc/82/18/53/787821853.db2.gz NXFQNYGUSFAGHC-NMAMFNKQSA-N 1 0 333.381 -1.660 20 30 EAEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173629682 787822817 /nfs/dbraw/zinc/82/28/17/787822817.db2.gz NXFQNYGUSFAGHC-QSYFAPPXSA-N 1 0 333.381 -1.660 20 30 EAEDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173629684 787821918 /nfs/dbraw/zinc/82/19/18/787821918.db2.gz NXFQNYGUSFAGHC-WKKWAXIPSA-N 1 0 333.381 -1.660 20 30 EAEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173629686 787822071 /nfs/dbraw/zinc/82/20/71/787822071.db2.gz NXFQNYGUSFAGHC-ZLSAFIHNSA-N 1 0 333.381 -1.660 20 30 EAEDRO O=C[C@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173745491 787825449 /nfs/dbraw/zinc/82/54/49/787825449.db2.gz WBNMMFMGCGQNBV-DVWMECQTSA-N 1 0 329.357 -2.611 20 30 EAEDRO O=C[C@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173745492 787825516 /nfs/dbraw/zinc/82/55/16/787825516.db2.gz WBNMMFMGCGQNBV-KISRQWFGSA-N 1 0 329.357 -2.611 20 30 EAEDRO O=C[C@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173745493 787825083 /nfs/dbraw/zinc/82/50/83/787825083.db2.gz WBNMMFMGCGQNBV-MJYBNVITSA-N 1 0 329.357 -2.611 20 30 EAEDRO O=C[C@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173745494 787825681 /nfs/dbraw/zinc/82/56/81/787825681.db2.gz WBNMMFMGCGQNBV-OJEZURLMSA-N 1 0 329.357 -2.611 20 30 EAEDRO C[C@]1(CC(=O)NCCC[NH2+]CC(=O)NCC#N)CCS(=O)(=O)N1 ZINC001174658048 787827402 /nfs/dbraw/zinc/82/74/02/787827402.db2.gz BRKDMVUQVBQRNX-CYBMUJFWSA-N 1 0 345.425 -1.806 20 30 EAEDRO C[C@@]1(CC(=O)NCCC[NH2+]CC(=O)NCC#N)CCS(=O)(=O)N1 ZINC001174658049 787828170 /nfs/dbraw/zinc/82/81/70/787828170.db2.gz BRKDMVUQVBQRNX-ZDUSSCGKSA-N 1 0 345.425 -1.806 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174659172 787827449 /nfs/dbraw/zinc/82/74/49/787827449.db2.gz XVPMCUMXEHIOKA-AWEZNQCLSA-N 1 0 346.453 -1.144 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174659173 787827933 /nfs/dbraw/zinc/82/79/33/787827933.db2.gz XVPMCUMXEHIOKA-CQSZACIVSA-N 1 0 346.453 -1.144 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001174667071 787828770 /nfs/dbraw/zinc/82/87/70/787828770.db2.gz UTJWPVMNPOQJKE-AWEZNQCLSA-N 1 0 344.437 -1.696 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174667072 787829886 /nfs/dbraw/zinc/82/98/86/787829886.db2.gz UTJWPVMNPOQJKE-CQSZACIVSA-N 1 0 344.437 -1.696 20 30 EAEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174694946 787831765 /nfs/dbraw/zinc/83/17/65/787831765.db2.gz ZXPOETRFAANCAL-NEPJUHHUSA-N 1 0 338.412 -1.086 20 30 EAEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174694947 787830888 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C=CCN1CC[C@H]([NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001174926960 787834392 /nfs/dbraw/zinc/83/43/92/787834392.db2.gz FRKNIUWIENALQP-LBPRGKRZSA-N 1 0 346.453 -1.239 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927535 787835293 /nfs/dbraw/zinc/83/52/93/787835293.db2.gz KQGXVTLNDANKDU-LLVKDONJSA-N 1 0 334.442 -1.336 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927539 787834249 /nfs/dbraw/zinc/83/42/49/787834249.db2.gz KQGXVTLNDANKDU-NSHDSACASA-N 1 0 334.442 -1.336 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927618 787835001 /nfs/dbraw/zinc/83/50/01/787835001.db2.gz MVQWALQCPVPBIQ-LLVKDONJSA-N 1 0 332.426 -1.888 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927619 787834474 /nfs/dbraw/zinc/83/44/74/787834474.db2.gz MVQWALQCPVPBIQ-NSHDSACASA-N 1 0 332.426 -1.888 20 30 EAEDRO CNC(=O)c1cccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001174935339 787834565 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N#CCNC(=O)C[NH2+]CCCNC(=O)CCCCCS(N)(=O)=O ZINC001177648329 787913893 /nfs/dbraw/zinc/91/38/93/787913893.db2.gz SGDYVJSHDUASCT-UHFFFAOYSA-N 1 0 347.441 -1.429 20 30 EAEDRO CS(=O)(=O)CC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001177949637 787915940 /nfs/dbraw/zinc/91/59/40/787915940.db2.gz KLAWLTXUZIPUDA-UHFFFAOYSA-N 1 0 332.426 -1.063 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093893 787918668 /nfs/dbraw/zinc/91/86/68/787918668.db2.gz SFRYQEJXESKUDX-UWVGGRQHSA-N 1 0 340.384 -1.755 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178094025 787919181 /nfs/dbraw/zinc/91/91/81/787919181.db2.gz YXUWFUMJULKZJL-RYUDHWBXSA-N 1 0 338.412 -1.004 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178233959 787920537 /nfs/dbraw/zinc/92/05/37/787920537.db2.gz DQAGXDMJJUDHHB-SRVKXCTJSA-N 1 0 329.422 -1.252 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178233960 787920394 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C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178384455 787921271 /nfs/dbraw/zinc/92/12/71/787921271.db2.gz XZMUCOIHPRXRMT-UWVGGRQHSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395397 787922696 /nfs/dbraw/zinc/92/26/96/787922696.db2.gz HDXDOTNAMWDFHH-DCAQKATOSA-N 1 0 339.396 -1.159 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395400 787923783 /nfs/dbraw/zinc/92/37/83/787923783.db2.gz HDXDOTNAMWDFHH-VWYCJHECSA-N 1 0 339.396 -1.159 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178508389 787924480 /nfs/dbraw/zinc/92/44/80/787924480.db2.gz BMKFBIMLCWUGIZ-RYUDHWBXSA-N 1 0 329.422 -1.251 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001178508498 787924676 /nfs/dbraw/zinc/92/46/76/787924676.db2.gz HIATXLRKJCMKKB-STQMWFEESA-N 1 0 335.408 -1.270 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178508536 787925370 /nfs/dbraw/zinc/92/53/70/787925370.db2.gz IOLNGMPOKCLQAV-SDDRHHMPSA-N 1 0 334.376 -1.490 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178508537 787924965 /nfs/dbraw/zinc/92/49/65/787924965.db2.gz IOLNGMPOKCLQAV-SRVKXCTJSA-N 1 0 334.376 -1.490 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178508601 787925522 /nfs/dbraw/zinc/92/55/22/787925522.db2.gz LDTCTFPPHSTCHV-QWRGUYRKSA-N 1 0 334.380 -1.673 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178508776 787925271 /nfs/dbraw/zinc/92/52/71/787925271.db2.gz ULWMQFYPEODKFS-QWRGUYRKSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178511709 787924358 /nfs/dbraw/zinc/92/43/58/787924358.db2.gz BXWQWLGJYWKQDE-RYUDHWBXSA-N 1 0 349.391 -1.743 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C ZINC001178512990 787924394 /nfs/dbraw/zinc/92/43/94/787924394.db2.gz VCOUDBUUOKPQEZ-SRVKXCTJSA-N 1 0 334.380 -1.299 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C ZINC001178512991 787925226 /nfs/dbraw/zinc/92/52/26/787925226.db2.gz VCOUDBUUOKPQEZ-WOPDTQHZSA-N 1 0 334.380 -1.299 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)[C@@H]1C ZINC001178519651 787924384 /nfs/dbraw/zinc/92/43/84/787924384.db2.gz BXKSXZKUSFPULC-KKUMJFAQSA-N 1 0 347.419 -1.038 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)[C@@H]1C ZINC001178519652 787924947 /nfs/dbraw/zinc/92/49/47/787924947.db2.gz BXKSXZKUSFPULC-ZNMIVQPWSA-N 1 0 347.419 -1.038 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H]1C ZINC001178519815 787925390 /nfs/dbraw/zinc/92/53/90/787925390.db2.gz KWFGNVHYSYVFMJ-STQMWFEESA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NCC#C)[C@@H]1C ZINC001178519877 787925012 /nfs/dbraw/zinc/92/50/12/787925012.db2.gz OPDGLPQINPDXTL-IHRRRGAJSA-N 1 0 332.404 -1.157 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NCC#C)[C@@H]1C ZINC001178519878 787925112 /nfs/dbraw/zinc/92/51/12/787925112.db2.gz OPDGLPQINPDXTL-RDBSUJKOSA-N 1 0 332.404 -1.157 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178519896 787924310 /nfs/dbraw/zinc/92/43/10/787924310.db2.gz PFFPRKGQSRBDLZ-DCAQKATOSA-N 1 0 337.380 -1.712 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178519897 787925293 /nfs/dbraw/zinc/92/52/93/787925293.db2.gz PFFPRKGQSRBDLZ-VWYCJHECSA-N 1 0 337.380 -1.712 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001178519957 787924419 /nfs/dbraw/zinc/92/44/19/787924419.db2.gz RWCICJKBVVYJFI-RYUDHWBXSA-N 1 0 344.437 -1.746 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544663 787925472 /nfs/dbraw/zinc/92/54/72/787925472.db2.gz OKXCMIKVGAGADT-QWRGUYRKSA-N 1 0 339.396 -1.287 20 30 EAEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)C1CS(=O)(=O)C1 ZINC001178564466 787926275 /nfs/dbraw/zinc/92/62/75/787926275.db2.gz OAKMNXYVUBGHRN-UHFFFAOYSA-N 1 0 344.437 -1.063 20 30 EAEDRO CNC(=O)NCC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178633620 787927715 /nfs/dbraw/zinc/92/77/15/787927715.db2.gz BGFNQYWZQHOHMD-UHFFFAOYSA-N 1 0 326.401 -1.179 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CNC(=O)NC ZINC001178634411 787928394 /nfs/dbraw/zinc/92/83/94/787928394.db2.gz UFDLCBRXKCXHNV-UHFFFAOYSA-N 1 0 325.413 -1.069 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)[C@H]1C ZINC001178678893 787928374 /nfs/dbraw/zinc/92/83/74/787928374.db2.gz VMETZMDZNPVVJX-STQMWFEESA-N 1 0 348.407 -1.134 20 30 EAEDRO COCCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)nn1 ZINC001178689057 787927361 /nfs/dbraw/zinc/92/73/61/787927361.db2.gz NINWWVDITTUXSP-RYUDHWBXSA-N 1 0 349.395 -1.243 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178699070 787929789 /nfs/dbraw/zinc/92/97/89/787929789.db2.gz HNXUONIWNZNGMQ-RYUDHWBXSA-N 1 0 346.453 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178699302 787929463 /nfs/dbraw/zinc/92/94/63/787929463.db2.gz NLGIICKPFUTTMQ-RYUDHWBXSA-N 1 0 344.437 -1.746 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178699742 787928998 /nfs/dbraw/zinc/92/89/98/787928998.db2.gz YUKKPHAOPIQEJF-QWRGUYRKSA-N 1 0 345.425 -1.856 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178735911 787928828 /nfs/dbraw/zinc/92/88/28/787928828.db2.gz KDIAGSMZGXUCRN-QWRGUYRKSA-N 1 0 347.379 -2.295 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178736094 787929201 /nfs/dbraw/zinc/92/92/01/787929201.db2.gz NULIUWZXSNOHMF-QWRGUYRKSA-N 1 0 349.395 -1.742 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178736129 787929349 /nfs/dbraw/zinc/92/93/49/787929349.db2.gz PPRCISZPTKFLOA-RYUDHWBXSA-N 1 0 334.380 -1.394 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001178736283 787929481 /nfs/dbraw/zinc/92/94/81/787929481.db2.gz SQUVWTLDAAJQQX-UWVGGRQHSA-N 1 0 348.367 -2.404 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)[C@H]1C ZINC001178753658 787931428 /nfs/dbraw/zinc/93/14/28/787931428.db2.gz SBHYYKLZSCPXBG-AGIUHOORSA-N 1 0 338.408 -1.534 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178753659 787930436 /nfs/dbraw/zinc/93/04/36/787930436.db2.gz SBHYYKLZSCPXBG-AVGNSLFASA-N 1 0 338.408 -1.534 20 30 EAEDRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178768144 787930540 /nfs/dbraw/zinc/93/05/40/787930540.db2.gz OSEYCPBPVGTVCK-SRVKXCTJSA-N 1 0 339.396 -1.644 20 30 EAEDRO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178768145 787931454 /nfs/dbraw/zinc/93/14/54/787931454.db2.gz OSEYCPBPVGTVCK-WOPDTQHZSA-N 1 0 339.396 -1.644 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178771450 787931005 /nfs/dbraw/zinc/93/10/05/787931005.db2.gz HATGQWGUEDOVOJ-JQWIXIFHSA-N 1 0 327.406 -1.641 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178771585 787931023 /nfs/dbraw/zinc/93/10/23/787931023.db2.gz JDQSAVDOXHYHEH-JQWIXIFHSA-N 1 0 329.422 -1.088 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178771972 787931055 /nfs/dbraw/zinc/93/10/55/787931055.db2.gz OBERNJWTIXFMJU-GVXVVHGQSA-N 1 0 341.433 -1.252 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178771977 787931069 /nfs/dbraw/zinc/93/10/69/787931069.db2.gz OBERNJWTIXFMJU-MDZLAQPJSA-N 1 0 341.433 -1.252 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001178772087 787932230 /nfs/dbraw/zinc/93/22/30/787932230.db2.gz SEEWJGTUTKZUKN-ONGXEEELSA-N 1 0 328.394 -1.750 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cccn2nnnc12 ZINC001178777378 787932147 /nfs/dbraw/zinc/93/21/47/787932147.db2.gz ANLARKCXSURNMO-JQWIXIFHSA-N 1 0 342.363 -1.043 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178791827 787930634 /nfs/dbraw/zinc/93/06/34/787930634.db2.gz VWSFYWDUFKUJPA-RYUDHWBXSA-N 1 0 349.395 -1.131 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C ZINC001178822076 787932514 /nfs/dbraw/zinc/93/25/14/787932514.db2.gz KJMQPORVQRTRKQ-RYUDHWBXSA-N 1 0 344.437 -1.794 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN(C)S(C)(=O)=O ZINC001178822401 787932261 /nfs/dbraw/zinc/93/22/61/787932261.db2.gz SCYQSPYHYBINKL-QWRGUYRKSA-N 1 0 345.425 -1.903 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C ZINC001178822615 787932052 /nfs/dbraw/zinc/93/20/52/787932052.db2.gz YCPHUQSWXUFCET-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C ZINC001178825866 787932538 /nfs/dbraw/zinc/93/25/38/787932538.db2.gz CHOXSDWQLRKHSD-RYUDHWBXSA-N 1 0 346.453 -1.193 20 30 EAEDRO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178825942 787932017 /nfs/dbraw/zinc/93/20/17/787932017.db2.gz GUIXDDQCZHQCFN-RYUDHWBXSA-N 1 0 339.396 -1.642 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C ZINC001178826152 787932773 /nfs/dbraw/zinc/93/27/73/787932773.db2.gz RTLSXLAUPVYVOU-RYUDHWBXSA-N 1 0 344.437 -1.746 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178826263 787932762 /nfs/dbraw/zinc/93/27/62/787932762.db2.gz ZCUJPTHSQCETBY-QWRGUYRKSA-N 1 0 345.425 -1.856 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178829789 787932425 /nfs/dbraw/zinc/93/24/25/787932425.db2.gz FPRUNBBUYAPBPW-STQMWFEESA-N 1 0 338.408 -1.580 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)[C@H]1C ZINC001178829872 787932479 /nfs/dbraw/zinc/93/24/79/787932479.db2.gz IRGQNPNHGXBQMX-STQMWFEESA-N 1 0 338.408 -1.533 20 30 EAEDRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178830056 787932982 /nfs/dbraw/zinc/93/29/82/787932982.db2.gz JOKNRHNGKJBWEV-RYUDHWBXSA-N 1 0 339.396 -1.690 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001178830220 787933416 /nfs/dbraw/zinc/93/34/16/787933416.db2.gz OVFPZTCBYBYIFJ-KBPBESRZSA-N 1 0 348.403 -1.224 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178830231 787933934 /nfs/dbraw/zinc/93/39/34/787933934.db2.gz PAJKUFFVLINJEA-STQMWFEESA-N 1 0 340.424 -1.028 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178831833 787933423 /nfs/dbraw/zinc/93/34/23/787933423.db2.gz AIPVQSQIVADQHS-RYUDHWBXSA-N 1 0 346.453 -1.193 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCNS(C)(=O)=O ZINC001178832455 787933918 /nfs/dbraw/zinc/93/39/18/787933918.db2.gz QOOXQNZROXPGPL-QWRGUYRKSA-N 1 0 345.425 -1.856 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178832603 787933763 /nfs/dbraw/zinc/93/37/63/787933763.db2.gz 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C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001180033262 787956453 /nfs/dbraw/zinc/95/64/53/787956453.db2.gz OKOMTMGLCKDBBT-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CS(=O)(=O)N(C)C ZINC001180033584 787956612 /nfs/dbraw/zinc/95/66/12/787956612.db2.gz SRULYDWYCJBEPI-QWRGUYRKSA-N 1 0 345.425 -1.903 20 30 EAEDRO Cc1nn(CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)c(=O)n1C ZINC001180033613 787956475 /nfs/dbraw/zinc/95/64/75/787956475.db2.gz URQSECCTCQBVFW-JQWIXIFHSA-N 1 0 349.395 -1.891 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001180070100 787958111 /nfs/dbraw/zinc/95/81/11/787958111.db2.gz NHWIZFYJTSBICZ-QWRGUYRKSA-N 1 0 332.364 -1.387 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001180070473 787958294 /nfs/dbraw/zinc/95/82/94/787958294.db2.gz UUWVJANPBDVCAS-RYUDHWBXSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001180083703 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EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001180092886 787957593 /nfs/dbraw/zinc/95/75/93/787957593.db2.gz YPJUZUIQEWRYIL-AVGNSLFASA-N 1 0 348.403 -1.148 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092904 787957273 /nfs/dbraw/zinc/95/72/73/787957273.db2.gz ZLVBIJRJBYZAKU-RYUDHWBXSA-N 1 0 349.395 -1.131 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001180120455 787959503 /nfs/dbraw/zinc/95/95/03/787959503.db2.gz FGYHPIGAVVQQRT-JQWIXIFHSA-N 1 0 347.375 -1.572 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001180120796 787959784 /nfs/dbraw/zinc/95/97/84/787959784.db2.gz IYADHFXBEOGQGG-JQWIXIFHSA-N 1 0 349.391 -1.019 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001180121542 787959953 /nfs/dbraw/zinc/95/99/53/787959953.db2.gz VHVRIWNRBTUASN-ONGXEEELSA-N 1 0 348.363 -1.682 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001180138333 787958428 /nfs/dbraw/zinc/95/84/28/787958428.db2.gz CBVPLMDCLIDMPY-ONGXEEELSA-N 1 0 332.364 -1.054 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180142591 787958949 /nfs/dbraw/zinc/95/89/49/787958949.db2.gz AVWUYDCFLWGHAV-SDDRHHMPSA-N 1 0 342.421 -1.994 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180142592 787959389 /nfs/dbraw/zinc/95/93/89/787959389.db2.gz AVWUYDCFLWGHAV-SRVKXCTJSA-N 1 0 342.421 -1.994 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180142642 787960080 /nfs/dbraw/zinc/96/00/80/787960080.db2.gz CQXMQSPSGNCHCK-AVGNSLFASA-N 1 0 329.422 -1.093 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180142643 787959949 /nfs/dbraw/zinc/95/99/49/787959949.db2.gz CQXMQSPSGNCHCK-RWMBFGLXSA-N 1 0 329.422 -1.093 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 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/nfs/dbraw/zinc/96/14/16/787961416.db2.gz IRYORPPTACYSHP-WOPDTQHZSA-N 1 0 346.453 -1.195 20 30 EAEDRO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180156872 787961572 /nfs/dbraw/zinc/96/15/72/787961572.db2.gz KDKCPIBRDKHUPT-UWVGGRQHSA-N 1 0 331.398 -2.246 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156962 787960615 /nfs/dbraw/zinc/96/06/15/787960615.db2.gz NSOMJAJAVUOYDX-QWRGUYRKSA-N 1 0 332.426 -1.583 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180157005 787961494 /nfs/dbraw/zinc/96/14/94/787961494.db2.gz QAFYMYMFGOKBRS-SRVKXCTJSA-N 1 0 344.437 -1.748 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180157006 787960598 /nfs/dbraw/zinc/96/05/98/787960598.db2.gz QAFYMYMFGOKBRS-WOPDTQHZSA-N 1 0 344.437 -1.748 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180157140 787961555 /nfs/dbraw/zinc/96/15/55/787961555.db2.gz YQSQKLDISBWTLD-QWRGUYRKSA-N 1 0 330.410 -2.136 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001180172890 787959452 /nfs/dbraw/zinc/95/94/52/787959452.db2.gz DNAHHAIWWZKWFL-SDDRHHMPSA-N 1 0 342.421 -1.218 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001180172891 787960040 /nfs/dbraw/zinc/96/00/40/787960040.db2.gz DNAHHAIWWZKWFL-SRVKXCTJSA-N 1 0 342.421 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1C ZINC001180175035 787959981 /nfs/dbraw/zinc/95/99/81/787959981.db2.gz VHZKUOSZRRIQNB-AVGNSLFASA-N 1 0 341.433 -1.108 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1C ZINC001180175040 787959908 /nfs/dbraw/zinc/95/99/08/787959908.db2.gz VHZKUOSZRRIQNB-RWMBFGLXSA-N 1 0 341.433 -1.108 20 30 EAEDRO CCN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182392 787960027 /nfs/dbraw/zinc/96/00/27/787960027.db2.gz ALWCPPPGVQGXQE-IHRRRGAJSA-N 1 0 337.424 -1.074 20 30 EAEDRO CCN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182393 787959633 /nfs/dbraw/zinc/95/96/33/787959633.db2.gz ALWCPPPGVQGXQE-MELADBBJSA-N 1 0 337.424 -1.074 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C ZINC001180204332 787960678 /nfs/dbraw/zinc/96/06/78/787960678.db2.gz OGQUAOITQLNWTL-KBPBESRZSA-N 1 0 348.407 -1.377 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211941 787961051 /nfs/dbraw/zinc/96/10/51/787961051.db2.gz UWLWRHLZOALLKF-QWRGUYRKSA-N 1 0 347.379 -2.295 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001180211966 787961047 /nfs/dbraw/zinc/96/10/47/787961047.db2.gz WELIHLGMZZJVNU-RYUDHWBXSA-N 1 0 334.380 -1.394 20 30 EAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001180216632 787961293 /nfs/dbraw/zinc/96/12/93/787961293.db2.gz BBBLNPIWSYWHRW-UWVGGRQHSA-N 1 0 348.367 -2.404 20 30 EAEDRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180216666 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N#CCSCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001181106303 789656463 /nfs/dbraw/zinc/65/64/63/789656463.db2.gz BEFHKRKOUUQILA-LLVKDONJSA-N 1 0 339.421 -1.608 20 30 EAEDRO N#CCSCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001181107141 789656141 /nfs/dbraw/zinc/65/61/41/789656141.db2.gz RTLFAFJPKXJDMK-SNVBAGLBSA-N 1 0 325.394 -1.015 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CC(=O)NCC#C)C[C@H]1C ZINC001181174080 789658058 /nfs/dbraw/zinc/65/80/58/789658058.db2.gz XHPKAVYTLKADJS-RDTXWAMCSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnnn2C)C1 ZINC001181192655 789658616 /nfs/dbraw/zinc/65/86/16/789658616.db2.gz DVEJJAAVBXJQBX-MLGOLLRUSA-N 1 0 347.423 -1.076 20 30 EAEDRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001181193120 789659130 /nfs/dbraw/zinc/65/91/30/789659130.db2.gz KGFCGRUTXSBWLP-IAQYHMDHSA-N 1 0 349.395 -1.302 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001181193664 789659289 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344.437 -1.016 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001181336747 789661094 /nfs/dbraw/zinc/66/10/94/789661094.db2.gz OEQORGPTXHJUEV-BFQNTYOBSA-N 1 0 336.392 -1.082 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001181336748 789660828 /nfs/dbraw/zinc/66/08/28/789660828.db2.gz OEQORGPTXHJUEV-XHBSWPGZSA-N 1 0 336.392 -1.082 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181337829 789661368 /nfs/dbraw/zinc/66/13/68/789661368.db2.gz VACXBZWQYJGNSL-SNVBAGLBSA-N 1 0 346.409 -1.767 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001181344708 789661206 /nfs/dbraw/zinc/66/12/06/789661206.db2.gz AEYVEPBWOQALOP-JRPNMDOOSA-N 1 0 337.380 -1.191 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001181344717 789661434 /nfs/dbraw/zinc/66/14/34/789661434.db2.gz AEYVEPBWOQALOP-UEKVPHQBSA-N 1 0 337.380 -1.191 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181532932 789663938 /nfs/dbraw/zinc/66/39/38/789663938.db2.gz HHMUDFMKDYWARL-IUODEOHRSA-N 1 0 333.396 -1.503 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001181533066 789663104 /nfs/dbraw/zinc/66/31/04/789663104.db2.gz LBLQVLKKCXBOOR-BXUZGUMPSA-N 1 0 334.384 -1.613 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181533489 789663391 /nfs/dbraw/zinc/66/33/91/789663391.db2.gz XTEHEIMXTDNQQU-DVOMOZLQSA-N 1 0 347.423 -1.115 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181533493 789663112 /nfs/dbraw/zinc/66/31/12/789663112.db2.gz XTEHEIMXTDNQQU-XJKCOSOUSA-N 1 0 347.423 -1.115 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599302 789665393 /nfs/dbraw/zinc/66/53/93/789665393.db2.gz MXIBECFWECAVNI-GHMZBOCLSA-N 1 0 337.380 -1.533 20 30 EAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001181600007 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333.348 -1.057 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001182145097 789675356 /nfs/dbraw/zinc/67/53/56/789675356.db2.gz GFGCVXQEMCXDJL-GHMZBOCLSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001182145098 789676504 /nfs/dbraw/zinc/67/65/04/789676504.db2.gz GFGCVXQEMCXDJL-WDEREUQCSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001182145131 789676484 /nfs/dbraw/zinc/67/64/84/789676484.db2.gz HTXFFWNTIKYIED-KGLIPLIRSA-N 1 0 333.392 -1.426 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001182145132 789675436 /nfs/dbraw/zinc/67/54/36/789675436.db2.gz HTXFFWNTIKYIED-ZIAGYGMSSA-N 1 0 333.392 -1.426 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001182145798 789676102 /nfs/dbraw/zinc/67/61/02/789676102.db2.gz XBKOBTDPRHLWPG-GFCCVEGCSA-N 1 0 334.376 -1.535 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001182145838 789675292 /nfs/dbraw/zinc/67/52/92/789675292.db2.gz YCVLNXFYOYXEBB-GFCCVEGCSA-N 1 0 329.422 -1.249 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)NC)C1 ZINC001182156657 789675238 /nfs/dbraw/zinc/67/52/38/789675238.db2.gz PFEFAZNFVFYCNJ-GHMZBOCLSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(=O)NC)C1 ZINC001182156658 789675171 /nfs/dbraw/zinc/67/51/71/789675171.db2.gz PFEFAZNFVFYCNJ-WDEREUQCSA-N 1 0 339.396 -1.287 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182164241 789677959 /nfs/dbraw/zinc/67/79/59/789677959.db2.gz QLDFKAISEIOTJH-NWDGAFQWSA-N 1 0 338.412 -1.004 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182178508 789678137 /nfs/dbraw/zinc/67/81/37/789678137.db2.gz BALQTWYWGNDHAE-GFCCVEGCSA-N 1 0 349.395 -1.130 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182195562 789677976 /nfs/dbraw/zinc/67/79/76/789677976.db2.gz 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C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266898 789679947 /nfs/dbraw/zinc/67/99/47/789679947.db2.gz JEKSGEQOUBNHOG-ZJUUUORDSA-N 1 0 339.352 -1.703 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001182278682 789678903 /nfs/dbraw/zinc/67/89/03/789678903.db2.gz XJHFJAMQJSXKGI-IAQYHMDHSA-N 1 0 333.396 -1.353 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302314 789679150 /nfs/dbraw/zinc/67/91/50/789679150.db2.gz CYFIEKNHFWSGHJ-SNVBAGLBSA-N 1 0 335.368 -1.369 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302797 789682069 /nfs/dbraw/zinc/68/20/69/789682069.db2.gz JMEVKAUIOIKGEX-SNVBAGLBSA-N 1 0 335.368 -1.369 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182422291 789684697 /nfs/dbraw/zinc/68/46/97/789684697.db2.gz QGYZGBUGXMKRPE-JRPNMDOOSA-N 1 0 336.396 -1.618 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N 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OYJXVHZPQXMJQN-GFCCVEGCSA-N 1 0 336.396 -1.378 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001182459457 789686751 /nfs/dbraw/zinc/68/67/51/789686751.db2.gz WTFYIZGBGAUCNL-CYBMUJFWSA-N 1 0 335.408 -1.268 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182465103 789686844 /nfs/dbraw/zinc/68/68/44/789686844.db2.gz KXTPCJZTOPIQPN-MEBBXXQBSA-N 1 0 339.396 -1.442 20 30 EAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001182466548 789687334 /nfs/dbraw/zinc/68/73/34/789687334.db2.gz ONNZZWRHNAXLFD-CYBMUJFWSA-N 1 0 348.403 -1.186 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001182467172 789687760 /nfs/dbraw/zinc/68/77/60/789687760.db2.gz WJKVKLNVKLNLJU-GFCCVEGCSA-N 1 0 334.380 -1.522 20 30 EAEDRO COCCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001182467189 789687055 /nfs/dbraw/zinc/68/70/55/789687055.db2.gz WVSWDVGHVKESGJ-LLVKDONJSA-N 1 0 335.368 -1.632 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001182473756 789687117 /nfs/dbraw/zinc/68/71/17/789687117.db2.gz ZDONAIDHPCPQTE-CHWSQXEVSA-N 1 0 348.403 -1.187 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001182473757 789687032 /nfs/dbraw/zinc/68/70/32/789687032.db2.gz ZDONAIDHPCPQTE-QWHCGFSZSA-N 1 0 348.403 -1.187 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496303 789687705 /nfs/dbraw/zinc/68/77/05/789687705.db2.gz HIQFEYUTOPFKJF-LLVKDONJSA-N 1 0 332.426 -1.582 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182496367 789686398 /nfs/dbraw/zinc/68/63/98/789686398.db2.gz JBDTXBLOEAWMNM-SNVBAGLBSA-N 1 0 331.398 -2.244 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496428 789686556 /nfs/dbraw/zinc/68/65/56/789686556.db2.gz KETCOKGJMRAZPM-LLVKDONJSA-N 1 0 330.410 -2.134 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001182496963 789687600 /nfs/dbraw/zinc/68/76/00/789687600.db2.gz VYDNNOKDGACAEQ-CHWSQXEVSA-N 1 0 348.407 -1.134 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001182496964 789687662 /nfs/dbraw/zinc/68/76/62/789687662.db2.gz VYDNNOKDGACAEQ-QWHCGFSZSA-N 1 0 348.407 -1.134 20 30 EAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001182497045 789687749 /nfs/dbraw/zinc/68/77/49/789687749.db2.gz YGRSKQFIGYDNIX-CYBMUJFWSA-N 1 0 336.392 -1.825 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001182505256 789688563 /nfs/dbraw/zinc/68/85/63/789688563.db2.gz UIZLSTRYJFYKBQ-CHWSQXEVSA-N 1 0 336.392 -1.826 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001182505257 789688672 /nfs/dbraw/zinc/68/86/72/789688672.db2.gz UIZLSTRYJFYKBQ-QWHCGFSZSA-N 1 0 336.392 -1.826 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182530129 789689001 /nfs/dbraw/zinc/68/90/01/789689001.db2.gz JOVUYVYUVNUAMF-NWDGAFQWSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182530139 789689153 /nfs/dbraw/zinc/68/91/53/789689153.db2.gz JOVUYVYUVNUAMF-VXGBXAGGSA-N 1 0 346.453 -1.193 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182531399 789688856 /nfs/dbraw/zinc/68/88/56/789688856.db2.gz XFCZSTFOEVUYSY-NWDGAFQWSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182531400 789689609 /nfs/dbraw/zinc/68/96/09/789689609.db2.gz XFCZSTFOEVUYSY-VXGBXAGGSA-N 1 0 344.437 -1.746 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001182531437 789688969 /nfs/dbraw/zinc/68/89/69/789688969.db2.gz YQCRRWLSDYOIJV-CYBMUJFWSA-N 1 0 346.453 -1.435 20 30 EAEDRO Cc1cccn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1=O ZINC001182545958 789688801 /nfs/dbraw/zinc/68/88/01/789688801.db2.gz SXVNNKZGWHCIJB-CYBMUJFWSA-N 1 0 331.376 -1.013 20 30 EAEDRO CN(C)c1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001182580456 789690232 /nfs/dbraw/zinc/69/02/32/789690232.db2.gz UUUFBVXTYYAUIB-LLVKDONJSA-N 1 0 331.380 -1.014 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182598778 789690566 /nfs/dbraw/zinc/69/05/66/789690566.db2.gz LZKFXCGFCXAHJG-SNVBAGLBSA-N 1 0 336.356 -2.125 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001182606459 789691013 /nfs/dbraw/zinc/69/10/13/789691013.db2.gz CJDKSBKNKGXGJS-GFCCVEGCSA-N 1 0 348.403 -1.289 20 30 EAEDRO CC1(C)CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1=O ZINC001182607023 789690538 /nfs/dbraw/zinc/69/05/38/789690538.db2.gz JIEYTXURGIDZBT-LLVKDONJSA-N 1 0 349.391 -1.398 20 30 EAEDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182623312 789690607 /nfs/dbraw/zinc/69/06/07/789690607.db2.gz HPFOBNAPUUBLJU-LSSIXWDNSA-N 1 0 335.408 -1.178 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001182623323 789690931 /nfs/dbraw/zinc/69/09/31/789690931.db2.gz HYFBJIQHXMNJQK-KOFHJDLBSA-N 1 0 334.420 -1.069 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623450 789690786 /nfs/dbraw/zinc/69/07/86/789690786.db2.gz NFZZHNOHHCIZSS-GFCCVEGCSA-N 1 0 334.384 -1.374 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692524 789692480 /nfs/dbraw/zinc/69/24/80/789692480.db2.gz MHDCXISTDRRTOH-SNVBAGLBSA-N 1 0 335.368 -2.130 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692982 789692050 /nfs/dbraw/zinc/69/20/50/789692050.db2.gz QCXLBVOBLWKKBH-GHMZBOCLSA-N 1 0 349.395 -1.742 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692994 789692705 /nfs/dbraw/zinc/69/27/05/789692705.db2.gz QCXLBVOBLWKKBH-WDEREUQCSA-N 1 0 349.395 -1.742 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693057 789692608 /nfs/dbraw/zinc/69/26/08/789692608.db2.gz QZRVWVSVZXLARK-SECBINFHSA-N 1 0 334.340 -2.793 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693551 789692828 /nfs/dbraw/zinc/69/28/28/789692828.db2.gz WKURSACPZSWNDQ-SNVBAGLBSA-N 1 0 333.352 -2.683 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693603 789692069 /nfs/dbraw/zinc/69/20/69/789692069.db2.gz YLTICUJXPRFXAH-GHMZBOCLSA-N 1 0 347.379 -2.295 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182693604 789692331 /nfs/dbraw/zinc/69/23/31/789692331.db2.gz YLTICUJXPRFXAH-WDEREUQCSA-N 1 0 347.379 -2.295 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001182718111 789692678 /nfs/dbraw/zinc/69/26/78/789692678.db2.gz BOOSOEIDZOOIKT-LLVKDONJSA-N 1 0 333.396 -1.018 20 30 EAEDRO CC(C)(C)n1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001182718564 789692560 /nfs/dbraw/zinc/69/25/60/789692560.db2.gz HDNZPYBNCLUPPO-SNVBAGLBSA-N 1 0 334.384 -1.128 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001182754544 789692793 /nfs/dbraw/zinc/69/27/93/789692793.db2.gz HFFJWOIFUBCMSF-NWDGAFQWSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001182754545 789692729 /nfs/dbraw/zinc/69/27/29/789692729.db2.gz HFFJWOIFUBCMSF-VXGBXAGGSA-N 1 0 344.437 -1.746 20 30 EAEDRO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182755387 789693148 /nfs/dbraw/zinc/69/31/48/789693148.db2.gz OIZCVRJJBSDZGE-GHMZBOCLSA-N 1 0 345.425 -1.856 20 30 EAEDRO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182755388 789692642 /nfs/dbraw/zinc/69/26/42/789692642.db2.gz OIZCVRJJBSDZGE-WDEREUQCSA-N 1 0 345.425 -1.856 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001182755432 789691821 /nfs/dbraw/zinc/69/18/21/789691821.db2.gz PLMFJULVLAOZJP-CQSZACIVSA-N 1 0 343.387 -1.249 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001182755437 789691866 /nfs/dbraw/zinc/69/18/66/789691866.db2.gz PTJMMNDVFIVKPR-NWDGAFQWSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001182755438 789693007 /nfs/dbraw/zinc/69/30/07/789693007.db2.gz PTJMMNDVFIVKPR-VXGBXAGGSA-N 1 0 346.453 -1.193 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001182765089 789694595 /nfs/dbraw/zinc/69/45/95/789694595.db2.gz NDTXFNFKZDNSCX-CYBMUJFWSA-N 1 0 344.375 -1.358 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccoc2)C1 ZINC001182782391 789695593 /nfs/dbraw/zinc/69/55/93/789695593.db2.gz UEBREWGOZJVEHQ-CYBMUJFWSA-N 1 0 332.360 -1.051 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccoc2)C1 ZINC001182782876 789696661 /nfs/dbraw/zinc/69/66/61/789696661.db2.gz XSOYXIJFPSNDKC-GFCCVEGCSA-N 1 0 333.348 -1.160 20 30 EAEDRO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182803365 789694151 /nfs/dbraw/zinc/69/41/51/789694151.db2.gz UTJRZPMOHXNOIO-GHMZBOCLSA-N 1 0 325.369 -2.032 20 30 EAEDRO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182803366 789694921 /nfs/dbraw/zinc/69/49/21/789694921.db2.gz UTJRZPMOHXNOIO-WDEREUQCSA-N 1 0 325.369 -2.032 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001182803395 789694170 /nfs/dbraw/zinc/69/41/70/789694170.db2.gz VXLRBCJEGFIMCY-NWDGAFQWSA-N 1 0 326.397 -1.370 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001182803396 789693985 /nfs/dbraw/zinc/69/39/85/789693985.db2.gz VXLRBCJEGFIMCY-VXGBXAGGSA-N 1 0 326.397 -1.370 20 30 EAEDRO CC(C)(C)n1nnc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001182810772 789696442 /nfs/dbraw/zinc/69/64/42/789696442.db2.gz IAMCQVRVOWOBOS-LLVKDONJSA-N 1 0 348.411 -1.199 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001182811240 789695535 /nfs/dbraw/zinc/69/55/35/789695535.db2.gz OOLKUCDSODFURZ-GFCCVEGCSA-N 1 0 347.423 -1.090 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182825115 789696251 /nfs/dbraw/zinc/69/62/51/789696251.db2.gz LMBAJSLKZBLRHO-CMPLNLGQSA-N 1 0 327.406 -1.641 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182825121 789695887 /nfs/dbraw/zinc/69/58/87/789695887.db2.gz LMBAJSLKZBLRHO-ZYHUDNBSSA-N 1 0 327.406 -1.641 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182825652 789695850 /nfs/dbraw/zinc/69/58/50/789695850.db2.gz WTAYSHQBLRSKFK-CMPLNLGQSA-N 1 0 329.422 -1.088 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001182825654 789696310 /nfs/dbraw/zinc/69/63/10/789696310.db2.gz WTAYSHQBLRSKFK-ZYHUDNBSSA-N 1 0 329.422 -1.088 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001182848758 789696959 /nfs/dbraw/zinc/69/69/59/789696959.db2.gz SYLLTCFJBTVVBS-LLVKDONJSA-N 1 0 327.348 -1.322 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001182849013 789696759 /nfs/dbraw/zinc/69/67/59/789696759.db2.gz YNALAUKANNTIPA-SNVBAGLBSA-N 1 0 328.336 -1.432 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879375 789698393 /nfs/dbraw/zinc/69/83/93/789698393.db2.gz LSVWSYYFPGPUKX-LLVKDONJSA-N 1 0 335.368 -1.520 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182888149 789698382 /nfs/dbraw/zinc/69/83/82/789698382.db2.gz RNUSSJICKRTIFH-NWDGAFQWSA-N 1 0 349.395 -1.131 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182888155 789698526 /nfs/dbraw/zinc/69/85/26/789698526.db2.gz RNUSSJICKRTIFH-VXGBXAGGSA-N 1 0 349.395 -1.131 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001182978558 789704574 /nfs/dbraw/zinc/70/45/74/789704574.db2.gz SGAMELGLMHZZHB-CZUORRHYSA-N 1 0 347.423 -1.113 20 30 EAEDRO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182986814 789707881 /nfs/dbraw/zinc/70/78/81/789707881.db2.gz XLXREGZRGKIQHR-IUODEOHRSA-N 1 0 348.411 -1.223 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182990997 789701458 /nfs/dbraw/zinc/70/14/58/789701458.db2.gz FFCYZLVTSBOBEO-LLVKDONJSA-N 1 0 332.426 -1.582 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182992513 789700737 /nfs/dbraw/zinc/70/07/37/789700737.db2.gz SOERTCKNBUUKTP-SNVBAGLBSA-N 1 0 331.398 -2.244 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182992647 789700936 /nfs/dbraw/zinc/70/09/36/789700936.db2.gz VALFWDUIQWWIDI-LLVKDONJSA-N 1 0 330.410 -2.134 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001182998635 789700818 /nfs/dbraw/zinc/70/08/18/789700818.db2.gz CPFZIFUXPZKCQQ-NWDGAFQWSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001182998636 789701915 /nfs/dbraw/zinc/70/19/15/789701915.db2.gz CPFZIFUXPZKCQQ-VXGBXAGGSA-N 1 0 346.453 -1.193 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182998662 789701227 /nfs/dbraw/zinc/70/12/27/789701227.db2.gz FFZNUODWWKXOQH-NWDGAFQWSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182998663 789700803 /nfs/dbraw/zinc/70/08/03/789700803.db2.gz FFZNUODWWKXOQH-VXGBXAGGSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182998680 789700682 /nfs/dbraw/zinc/70/06/82/789700682.db2.gz GBMXADSPILWUHY-LLVKDONJSA-N 1 0 330.410 -2.182 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999153 789702946 /nfs/dbraw/zinc/70/29/46/789702946.db2.gz MJVLVDBJNGXNDU-NWDGAFQWSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999154 789704021 /nfs/dbraw/zinc/70/40/21/789704021.db2.gz MJVLVDBJNGXNDU-VXGBXAGGSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999266 789703937 /nfs/dbraw/zinc/70/39/37/789703937.db2.gz 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C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304145 790323357 /nfs/dbraw/zinc/32/33/57/790323357.db2.gz FRRPYVPASVFBGF-CHWSQXEVSA-N 1 0 338.408 -1.274 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304146 790323660 /nfs/dbraw/zinc/32/36/60/790323660.db2.gz FRRPYVPASVFBGF-QWHCGFSZSA-N 1 0 338.408 -1.274 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001183304371 790322681 /nfs/dbraw/zinc/32/26/81/790322681.db2.gz KMJQCEQOIHIHSX-SNVBAGLBSA-N 1 0 328.336 -1.203 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304581 790324410 /nfs/dbraw/zinc/32/44/10/790324410.db2.gz OWXAZUUCVGMGII-CHWSQXEVSA-N 1 0 336.392 -1.826 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183304582 790326036 /nfs/dbraw/zinc/32/60/36/790326036.db2.gz OWXAZUUCVGMGII-QWHCGFSZSA-N 1 0 336.392 -1.826 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001183304605 790325962 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DWOJQJWHHILEON-MXWKQRLJSA-N 1 0 337.380 -1.534 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183354051 790326439 /nfs/dbraw/zinc/32/64/39/790326439.db2.gz NSZPKTFSVFNQTO-AXFHLTTASA-N 1 0 335.364 -2.087 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183354052 790325637 /nfs/dbraw/zinc/32/56/37/790325637.db2.gz NSZPKTFSVFNQTO-MXWKQRLJSA-N 1 0 335.364 -2.087 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183354172 790324735 /nfs/dbraw/zinc/32/47/35/790324735.db2.gz SRRMZYIZCRVCPU-OLZOCXBDSA-N 1 0 335.408 -1.270 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183361196 790324658 /nfs/dbraw/zinc/32/46/58/790324658.db2.gz KSCUJBWISQIWBO-KGLIPLIRSA-N 1 0 342.465 -1.176 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001183361409 790325816 /nfs/dbraw/zinc/32/58/16/790325816.db2.gz TUIWNHNSCZMZFK-UPJWGTAASA-N 1 0 335.408 -1.142 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001183361410 790325158 /nfs/dbraw/zinc/32/51/58/790325158.db2.gz TUIWNHNSCZMZFK-XQQFMLRXSA-N 1 0 335.408 -1.142 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001183369894 790327310 /nfs/dbraw/zinc/32/73/10/790327310.db2.gz YORCWLWBHQMREU-NWDGAFQWSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001183369896 790327030 /nfs/dbraw/zinc/32/70/30/790327030.db2.gz YORCWLWBHQMREU-VXGBXAGGSA-N 1 0 331.376 -1.278 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 ZINC001183401974 790326239 /nfs/dbraw/zinc/32/62/39/790326239.db2.gz AITYGOHXMCCQPE-LLVKDONJSA-N 1 0 332.364 -1.143 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 ZINC001183403052 790326108 /nfs/dbraw/zinc/32/61/08/790326108.db2.gz MARAQORLWJHSMX-GFCCVEGCSA-N 1 0 331.376 -1.033 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183421971 790328080 /nfs/dbraw/zinc/32/80/80/790328080.db2.gz LLLOXQAVDJNMSV-SNVBAGLBSA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183465176 790328136 /nfs/dbraw/zinc/32/81/36/790328136.db2.gz FHJWGRGZJDTHRU-LLVKDONJSA-N 1 0 348.363 -1.002 20 30 EAEDRO COCCn1nccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183507458 790329258 /nfs/dbraw/zinc/32/92/58/790329258.db2.gz BPXSZKNRLZEBBY-GFCCVEGCSA-N 1 0 334.380 -1.027 20 30 EAEDRO Cn1ccnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183507622 790329699 /nfs/dbraw/zinc/32/96/99/790329699.db2.gz FVXVAWNBQOHMJF-GFCCVEGCSA-N 1 0 334.380 -1.233 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2nccn2C)C1 ZINC001183507934 790328961 /nfs/dbraw/zinc/32/89/61/790328961.db2.gz KWBUAVPRXITETR-CYBMUJFWSA-N 1 0 333.392 -1.123 20 30 EAEDRO Cc1cnc2nc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NCC#N)C3)nn2c1 ZINC001183521610 790328929 /nfs/dbraw/zinc/32/89/29/790328929.db2.gz MYBSNPLQIDVWRM-LLVKDONJSA-N 1 0 342.363 -1.123 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001183521726 790330168 /nfs/dbraw/zinc/33/01/68/790330168.db2.gz SJSASGRCMUZYQH-GFCCVEGCSA-N 1 0 341.375 -1.014 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001183521777 790330600 /nfs/dbraw/zinc/33/06/00/790330600.db2.gz VTNGDVARSCZNGT-SNVBAGLBSA-N 1 0 348.363 -1.002 20 30 EAEDRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c(=O)[nH]c1C ZINC001183543043 790330269 /nfs/dbraw/zinc/33/02/69/790330269.db2.gz CYTODISETUYWHI-LLVKDONJSA-N 1 0 332.364 -1.169 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001183545271 790329037 /nfs/dbraw/zinc/32/90/37/790329037.db2.gz VHDMWBHGADUVCX-GFCCVEGCSA-N 1 0 331.376 -1.060 20 30 EAEDRO Cn1nccc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183569640 790332492 /nfs/dbraw/zinc/33/24/92/790332492.db2.gz URDLVJAJCBPRHB-GFCCVEGCSA-N 1 0 334.380 -1.233 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2ccnn2C)C1 ZINC001183570060 790332394 /nfs/dbraw/zinc/33/23/94/790332394.db2.gz YKPAEOWYQNVNFA-CYBMUJFWSA-N 1 0 333.392 -1.123 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 ZINC001183621482 790332262 /nfs/dbraw/zinc/33/22/62/790332262.db2.gz ICQHQKBNVNNRSO-LLVKDONJSA-N 1 0 332.364 -1.143 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 ZINC001183621657 790331275 /nfs/dbraw/zinc/33/12/75/790331275.db2.gz LUAVEZCCQKLYMQ-GFCCVEGCSA-N 1 0 331.376 -1.033 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183629810 790332419 /nfs/dbraw/zinc/33/24/19/790332419.db2.gz QQUFHVGWOZTVRV-GFCCVEGCSA-N 1 0 344.375 -1.447 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183629854 790331997 /nfs/dbraw/zinc/33/19/97/790331997.db2.gz RRQYZEZLQXJAOY-CYBMUJFWSA-N 1 0 343.387 -1.337 20 30 EAEDRO COc1cc(OC)nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001183638743 790331691 /nfs/dbraw/zinc/33/16/91/790331691.db2.gz GYFBWGUGHSGXJL-SNVBAGLBSA-N 1 0 348.363 -1.062 20 30 EAEDRO CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183684438 790333125 /nfs/dbraw/zinc/33/31/25/790333125.db2.gz RGBZCEFGWXPBGE-GFCCVEGCSA-N 1 0 344.437 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001183691483 790331820 /nfs/dbraw/zinc/33/18/20/790331820.db2.gz JEHKAEMIWGORMH-CYBMUJFWSA-N 1 0 343.449 -1.003 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183692435 790332956 /nfs/dbraw/zinc/33/29/56/790332956.db2.gz UTSKKPIJRNKTLA-NWDGAFQWSA-N 1 0 329.422 -1.251 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183692441 790331794 /nfs/dbraw/zinc/33/17/94/790331794.db2.gz UTSKKPIJRNKTLA-VXGBXAGGSA-N 1 0 329.422 -1.251 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700230 790333432 /nfs/dbraw/zinc/33/34/32/790333432.db2.gz BZQRYJGVROSPRQ-GFCCVEGCSA-N 1 0 345.421 -2.013 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700237 790334776 /nfs/dbraw/zinc/33/47/76/790334776.db2.gz CGSCYPZKDGRJGI-CYBMUJFWSA-N 1 0 332.422 -1.112 20 30 EAEDRO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183700564 790334695 /nfs/dbraw/zinc/33/46/95/790334695.db2.gz IELSFHPTYOWFPB-LLVKDONJSA-N 1 0 346.409 -2.122 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183700861 790335043 /nfs/dbraw/zinc/33/50/43/790335043.db2.gz PNBXSOYVGKOVRG-GFCCVEGCSA-N 1 0 347.437 -1.460 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183721110 790338856 /nfs/dbraw/zinc/33/88/56/790338856.db2.gz GIPBUNJQLYQNKO-GFCCVEGCSA-N 1 0 339.396 -2.269 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722573 790339165 /nfs/dbraw/zinc/33/91/65/790339165.db2.gz VABVJTIRTUOQHK-GFCCVEGCSA-N 1 0 337.380 -2.821 20 30 EAEDRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183722788 790339622 /nfs/dbraw/zinc/33/96/22/790339622.db2.gz WUOHQQIPRLXZDT-LLVKDONJSA-N 1 0 338.368 -2.931 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722948 790339923 /nfs/dbraw/zinc/33/99/23/790339923.db2.gz YYROVBRGULJYGR-CYBMUJFWSA-N 1 0 326.397 -1.368 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737198 790343801 /nfs/dbraw/zinc/34/38/01/790343801.db2.gz ATOWUWGPHMBZSL-NWDGAFQWSA-N 1 0 346.391 -1.514 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737200 790343563 /nfs/dbraw/zinc/34/35/63/790343563.db2.gz ATOWUWGPHMBZSL-VXGBXAGGSA-N 1 0 346.391 -1.514 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737721 790341917 /nfs/dbraw/zinc/34/19/17/790341917.db2.gz FMJCQPRPSBMMHV-GHMZBOCLSA-N 1 0 347.379 -1.624 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001183737728 790342945 /nfs/dbraw/zinc/34/29/45/790342945.db2.gz FMJCQPRPSBMMHV-WDEREUQCSA-N 1 0 347.379 -1.624 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183792690 790344121 /nfs/dbraw/zinc/34/41/21/790344121.db2.gz CPOZGIJWTWOIOK-GFCCVEGCSA-N 1 0 327.406 -1.639 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183793082 790345604 /nfs/dbraw/zinc/34/56/04/790345604.db2.gz GMSNNCBEUNDIMJ-GFCCVEGCSA-N 1 0 329.422 -1.086 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183793110 790344800 /nfs/dbraw/zinc/34/48/00/790344800.db2.gz HWYPBYIXQXMXLV-LLVKDONJSA-N 1 0 328.394 -1.749 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793113 790345827 /nfs/dbraw/zinc/34/58/27/790345827.db2.gz IAWGTXJSVOPLQC-NWDGAFQWSA-N 1 0 336.396 -1.537 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183793114 790345355 /nfs/dbraw/zinc/34/53/55/790345355.db2.gz IAWGTXJSVOPLQC-VXGBXAGGSA-N 1 0 336.396 -1.537 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183794067 790345141 /nfs/dbraw/zinc/34/51/41/790345141.db2.gz USUOSBIRZCOJPS-DGCLKSJQSA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001183794068 790346203 /nfs/dbraw/zinc/34/62/03/790346203.db2.gz USUOSBIRZCOJPS-WCQYABFASA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794490 790345576 /nfs/dbraw/zinc/34/55/76/790345576.db2.gz ZWHZZOXPBZSZQA-NWDGAFQWSA-N 1 0 334.380 -2.090 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794491 790345111 /nfs/dbraw/zinc/34/51/11/790345111.db2.gz ZWHZZOXPBZSZQA-VXGBXAGGSA-N 1 0 334.380 -2.090 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001183849463 790346084 /nfs/dbraw/zinc/34/60/84/790346084.db2.gz GLJPEEQSHSSRDS-NEPJUHHUSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001183849464 790344081 /nfs/dbraw/zinc/34/40/81/790344081.db2.gz GLJPEEQSHSSRDS-NWDGAFQWSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001183849465 790344337 /nfs/dbraw/zinc/34/43/37/790344337.db2.gz GLJPEEQSHSSRDS-RYUDHWBXSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001183849466 790344501 /nfs/dbraw/zinc/34/45/01/790344501.db2.gz GLJPEEQSHSSRDS-VXGBXAGGSA-N 1 0 334.384 -1.613 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001183850757 790344748 /nfs/dbraw/zinc/34/47/48/790344748.db2.gz UBLNJIVUFQPOLQ-CHWSQXEVSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001183850763 790344873 /nfs/dbraw/zinc/34/48/73/790344873.db2.gz UBLNJIVUFQPOLQ-OLZOCXBDSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001183850765 790346098 /nfs/dbraw/zinc/34/60/98/790346098.db2.gz UBLNJIVUFQPOLQ-QWHCGFSZSA-N 1 0 333.396 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ZINC001183984351 790350382 /nfs/dbraw/zinc/35/03/82/790350382.db2.gz DNSMEVPPFGVEDS-GFCCVEGCSA-N 1 0 331.376 -1.323 20 30 EAEDRO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183986383 790349934 /nfs/dbraw/zinc/34/99/34/790349934.db2.gz ZVCLBSDTATWVAZ-LLVKDONJSA-N 1 0 332.364 -1.432 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001183997989 790352488 /nfs/dbraw/zinc/35/24/88/790352488.db2.gz UXZXPHZUVPYXTH-CHWSQXEVSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001183997990 790351442 /nfs/dbraw/zinc/35/14/42/790351442.db2.gz UXZXPHZUVPYXTH-OLZOCXBDSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001183997992 790351861 /nfs/dbraw/zinc/35/18/61/790351861.db2.gz UXZXPHZUVPYXTH-QWHCGFSZSA-N 1 0 343.449 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001183997993 790352205 /nfs/dbraw/zinc/35/22/05/790352205.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015075 790350511 /nfs/dbraw/zinc/35/05/11/790350511.db2.gz IFWZRLIHTVZBHM-NWDGAFQWSA-N 1 0 347.375 -1.723 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015076 790351017 /nfs/dbraw/zinc/35/10/17/790351017.db2.gz IFWZRLIHTVZBHM-VXGBXAGGSA-N 1 0 347.375 -1.723 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015283 790351956 /nfs/dbraw/zinc/35/19/56/790351956.db2.gz OPYOTOZUFGXEJL-SNVBAGLBSA-N 1 0 334.336 -2.221 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015397 790351590 /nfs/dbraw/zinc/35/15/90/790351590.db2.gz RFAVRADRAGLGIT-LLVKDONJSA-N 1 0 333.348 -2.111 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015419 790351273 /nfs/dbraw/zinc/35/12/73/790351273.db2.gz SOFYZLGOGROGDU-NWDGAFQWSA-N 1 0 349.391 -1.170 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015420 790352054 /nfs/dbraw/zinc/35/20/54/790352054.db2.gz SOFYZLGOGROGDU-VXGBXAGGSA-N 1 0 349.391 -1.170 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001184040343 790352986 /nfs/dbraw/zinc/35/29/86/790352986.db2.gz CDWQMLZZJWEVME-CHWSQXEVSA-N 1 0 341.433 -1.249 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184040344 790354153 /nfs/dbraw/zinc/35/41/53/790354153.db2.gz CDWQMLZZJWEVME-QWHCGFSZSA-N 1 0 341.433 -1.249 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001184041884 790353171 /nfs/dbraw/zinc/35/31/71/790353171.db2.gz XVWKPMNINAKYFP-NWDGAFQWSA-N 1 0 342.421 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001184041886 790354624 /nfs/dbraw/zinc/35/46/24/790354624.db2.gz XVWKPMNINAKYFP-VXGBXAGGSA-N 1 0 342.421 -1.359 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184050326 790353795 /nfs/dbraw/zinc/35/37/95/790353795.db2.gz YSULSNLZBODNBX-GFCCVEGCSA-N 1 0 334.376 -1.535 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001184057175 790353616 /nfs/dbraw/zinc/35/36/16/790353616.db2.gz BEIJOISYSACWLP-CHWSQXEVSA-N 1 0 335.408 -1.283 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184057185 790353576 /nfs/dbraw/zinc/35/35/76/790353576.db2.gz BEIJOISYSACWLP-QWHCGFSZSA-N 1 0 335.408 -1.283 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184058201 790353766 /nfs/dbraw/zinc/35/37/66/790353766.db2.gz JOGZAGGBTTWHNO-NWDGAFQWSA-N 1 0 336.396 -1.393 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001184058208 790353709 /nfs/dbraw/zinc/35/37/09/790353709.db2.gz JOGZAGGBTTWHNO-VXGBXAGGSA-N 1 0 336.396 -1.393 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001184058353 790354490 /nfs/dbraw/zinc/35/44/90/790354490.db2.gz 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N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184059000 790356492 /nfs/dbraw/zinc/35/64/92/790356492.db2.gz TYROGIOMXOQWRY-LLVKDONJSA-N 1 0 335.364 -1.644 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184059114 790355929 /nfs/dbraw/zinc/35/59/29/790355929.db2.gz VSHLUTJUYQSQMG-CHWSQXEVSA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001184059115 790355632 /nfs/dbraw/zinc/35/56/32/790355632.db2.gz VSHLUTJUYQSQMG-QWHCGFSZSA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001184138377 790357891 /nfs/dbraw/zinc/35/78/91/790357891.db2.gz BNLRSUGLUGYFHJ-SNVBAGLBSA-N 1 0 327.348 -1.094 20 30 EAEDRO COCCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001184139051 790357338 /nfs/dbraw/zinc/35/73/38/790357338.db2.gz XONCCYSJRWOTPK-GFCCVEGCSA-N 1 0 334.380 -1.027 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001184155589 790357555 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328.336 -1.432 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001184220341 790361029 /nfs/dbraw/zinc/36/10/29/790361029.db2.gz JZRUALWMUUGJGB-CHWSQXEVSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001184220345 790359523 /nfs/dbraw/zinc/35/95/23/790359523.db2.gz JZRUALWMUUGJGB-OLZOCXBDSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001184220347 790359136 /nfs/dbraw/zinc/35/91/36/790359136.db2.gz JZRUALWMUUGJGB-QWHCGFSZSA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001184220348 790359724 /nfs/dbraw/zinc/35/97/24/790359724.db2.gz JZRUALWMUUGJGB-STQMWFEESA-N 1 0 347.423 -1.076 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001184220859 790360312 /nfs/dbraw/zinc/36/03/12/790360312.db2.gz SFIVIOKFJGIQAJ-GFCCVEGCSA-N 1 0 327.348 -1.322 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001184222042 790361124 /nfs/dbraw/zinc/36/11/24/790361124.db2.gz SZIJLVBFUNUXGQ-CHWSQXEVSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001184222043 790359305 /nfs/dbraw/zinc/35/93/05/790359305.db2.gz SZIJLVBFUNUXGQ-OLZOCXBDSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C ZINC001184222044 790359416 /nfs/dbraw/zinc/35/94/16/790359416.db2.gz SZIJLVBFUNUXGQ-QWHCGFSZSA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C ZINC001184222045 790360984 /nfs/dbraw/zinc/36/09/84/790360984.db2.gz SZIJLVBFUNUXGQ-STQMWFEESA-N 1 0 348.407 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(=O)NCC#C)C[C@H]1C ZINC001184242029 790361732 /nfs/dbraw/zinc/36/17/32/790361732.db2.gz QIJFRRGHHHETCR-CABCVRRESA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(=O)NCC#C)C[C@@H]1C ZINC001184242030 790362437 /nfs/dbraw/zinc/36/24/37/790362437.db2.gz QIJFRRGHHHETCR-GJZGRUSLSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(=O)NCC#C)C[C@H]1C ZINC001184242031 790362407 /nfs/dbraw/zinc/36/24/07/790362407.db2.gz QIJFRRGHHHETCR-HUUCEWRRSA-N 1 0 346.431 -1.051 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(=O)NCC#C)C[C@@H]1C ZINC001184242032 790361949 /nfs/dbraw/zinc/36/19/49/790361949.db2.gz QIJFRRGHHHETCR-LSDHHAIUSA-N 1 0 346.431 -1.051 20 30 EAEDRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184249376 790362720 /nfs/dbraw/zinc/36/27/20/790362720.db2.gz CELGIYUBEHRJFK-NEPJUHHUSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184249377 790361375 /nfs/dbraw/zinc/36/13/75/790361375.db2.gz CELGIYUBEHRJFK-NWDGAFQWSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184249378 790362883 /nfs/dbraw/zinc/36/28/83/790362883.db2.gz CELGIYUBEHRJFK-RYUDHWBXSA-N 1 0 349.395 -1.302 20 30 EAEDRO C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184249379 790363170 /nfs/dbraw/zinc/36/31/70/790363170.db2.gz CELGIYUBEHRJFK-VXGBXAGGSA-N 1 0 349.395 -1.302 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001184279635 790363667 /nfs/dbraw/zinc/36/36/67/790363667.db2.gz AFBVQFQCYSZQHM-LLVKDONJSA-N 1 0 332.360 -1.063 20 30 EAEDRO COc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cc1=O ZINC001184301763 790362991 /nfs/dbraw/zinc/36/29/91/790362991.db2.gz OHOXEAVKYCRLRI-SNVBAGLBSA-N 1 0 333.348 -1.173 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001184370374 790363415 /nfs/dbraw/zinc/36/34/15/790363415.db2.gz HSNLMPOVBKXAKN-GFCCVEGCSA-N 1 0 341.375 -1.083 20 30 EAEDRO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NCC#N)C3)cnc21 ZINC001184371616 790363988 /nfs/dbraw/zinc/36/39/88/790363988.db2.gz QHNBTWJTDNGHKS-LLVKDONJSA-N 1 0 342.363 -1.193 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001184399045 790364271 /nfs/dbraw/zinc/36/42/71/790364271.db2.gz GXZTUMSTGNWCCC-CHWSQXEVSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001184399046 790364673 /nfs/dbraw/zinc/36/46/73/790364673.db2.gz GXZTUMSTGNWCCC-OLZOCXBDSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184399047 790364810 /nfs/dbraw/zinc/36/48/10/790364810.db2.gz GXZTUMSTGNWCCC-QWHCGFSZSA-N 1 0 333.396 -1.503 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184399048 790364782 /nfs/dbraw/zinc/36/47/82/790364782.db2.gz GXZTUMSTGNWCCC-STQMWFEESA-N 1 0 333.396 -1.503 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184399842 790364566 /nfs/dbraw/zinc/36/45/66/790364566.db2.gz OQBNOHAIHUHQDZ-NEPJUHHUSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184399843 790364543 /nfs/dbraw/zinc/36/45/43/790364543.db2.gz OQBNOHAIHUHQDZ-NWDGAFQWSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184399844 790364257 /nfs/dbraw/zinc/36/42/57/790364257.db2.gz OQBNOHAIHUHQDZ-RYUDHWBXSA-N 1 0 334.384 -1.613 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184399845 790363329 /nfs/dbraw/zinc/36/33/29/790363329.db2.gz OQBNOHAIHUHQDZ-VXGBXAGGSA-N 1 0 334.384 -1.613 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001184433523 790365581 /nfs/dbraw/zinc/36/55/81/790365581.db2.gz KTIYKXXRKDROLE-NWDGAFQWSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001184433619 790365662 /nfs/dbraw/zinc/36/56/62/790365662.db2.gz KTIYKXXRKDROLE-VXGBXAGGSA-N 1 0 331.376 -1.278 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184462089 790365394 /nfs/dbraw/zinc/36/53/94/790365394.db2.gz XYZIUFYJJLVDTG-CHWSQXEVSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184462090 790366949 /nfs/dbraw/zinc/36/69/49/790366949.db2.gz XYZIUFYJJLVDTG-OLZOCXBDSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184462091 790366355 /nfs/dbraw/zinc/36/63/55/790366355.db2.gz XYZIUFYJJLVDTG-QWHCGFSZSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184462092 790366208 /nfs/dbraw/zinc/36/62/08/790366208.db2.gz XYZIUFYJJLVDTG-STQMWFEESA-N 1 0 333.396 -1.008 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483474 790366222 /nfs/dbraw/zinc/36/62/22/790366222.db2.gz LTPSUBCMRYPRRE-SFDCQRBFSA-N 1 0 336.392 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483728 790365717 /nfs/dbraw/zinc/36/57/17/790365717.db2.gz SEGWRXMHPFUWFH-KNCOVGOOSA-N 1 0 335.404 -1.022 20 30 EAEDRO Cc1nc2n(n1)C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001184492103 790365980 /nfs/dbraw/zinc/36/59/80/790365980.db2.gz IRCNHVYTLYDGMH-CHWSQXEVSA-N 1 0 345.407 -1.021 20 30 EAEDRO Cc1nc2n(n1)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001184492104 790366758 /nfs/dbraw/zinc/36/67/58/790366758.db2.gz IRCNHVYTLYDGMH-QWHCGFSZSA-N 1 0 345.407 -1.021 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492180 790365677 /nfs/dbraw/zinc/36/56/77/790365677.db2.gz KYSFYQCKLFDXEL-NEPJUHHUSA-N 1 0 345.421 -1.707 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001184492248 790365830 /nfs/dbraw/zinc/36/58/30/790365830.db2.gz OMFRGJVQVZBVPT-NEPJUHHUSA-N 1 0 343.405 -2.260 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184500216 790368078 /nfs/dbraw/zinc/36/80/78/790368078.db2.gz RMBNLEVTKBJRPG-YPMHNXCESA-N 1 0 344.375 -1.695 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184508634 790368178 /nfs/dbraw/zinc/36/81/78/790368178.db2.gz IWULGMNJWCEXPV-PWSUYJOCSA-N 1 0 345.363 -1.804 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001184508662 790368146 /nfs/dbraw/zinc/36/81/46/790368146.db2.gz JXIBXLJCVJTSNQ-YPMHNXCESA-N 1 0 346.391 -1.142 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001184510959 790370337 /nfs/dbraw/zinc/37/03/37/790370337.db2.gz FUPOGTDYJCIQJS-CHWSQXEVSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001184511055 790369544 /nfs/dbraw/zinc/36/95/44/790369544.db2.gz FUPOGTDYJCIQJS-OLZOCXBDSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001184511056 790371184 /nfs/dbraw/zinc/37/11/84/790371184.db2.gz FUPOGTDYJCIQJS-QWHCGFSZSA-N 1 0 337.424 -1.261 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001184511057 790370226 /nfs/dbraw/zinc/37/02/26/790370226.db2.gz FUPOGTDYJCIQJS-STQMWFEESA-N 1 0 337.424 -1.261 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001184514636 790370693 /nfs/dbraw/zinc/37/06/93/790370693.db2.gz WLFZFHGOQCOCBH-NEPJUHHUSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001184514637 790370680 /nfs/dbraw/zinc/37/06/80/790370680.db2.gz WLFZFHGOQCOCBH-NWDGAFQWSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001184514638 790369272 /nfs/dbraw/zinc/36/92/72/790369272.db2.gz WLFZFHGOQCOCBH-RYUDHWBXSA-N 1 0 338.412 -1.371 20 30 EAEDRO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001184514639 790371123 /nfs/dbraw/zinc/37/11/23/790371123.db2.gz WLFZFHGOQCOCBH-VXGBXAGGSA-N 1 0 338.412 -1.371 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536264 790368636 /nfs/dbraw/zinc/36/86/36/790368636.db2.gz LTWWFNRTDBECNE-GFCCVEGCSA-N 1 0 336.396 -1.535 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184536540 790368503 /nfs/dbraw/zinc/36/85/03/790368503.db2.gz RNLQRQSMBAEQEX-GFCCVEGCSA-N 1 0 334.380 -2.088 20 30 EAEDRO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1=O ZINC001184536557 790367800 /nfs/dbraw/zinc/36/78/00/790367800.db2.gz RUAYIKNWDRELRM-LLVKDONJSA-N 1 0 335.368 -2.198 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184543904 790367762 /nfs/dbraw/zinc/36/77/62/790367762.db2.gz VRBVLAZWSALXBJ-CHWSQXEVSA-N 1 0 348.407 -1.700 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184543905 790368526 /nfs/dbraw/zinc/36/85/26/790368526.db2.gz VRBVLAZWSALXBJ-QWHCGFSZSA-N 1 0 348.407 -1.700 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001184584751 790369860 /nfs/dbraw/zinc/36/98/60/790369860.db2.gz ITALOLFKDYGDBS-NEPJUHHUSA-N 1 0 346.453 -1.064 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001184584758 790369815 /nfs/dbraw/zinc/36/98/15/790369815.db2.gz ITALOLFKDYGDBS-VXGBXAGGSA-N 1 0 346.453 -1.064 20 30 EAEDRO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)S(N)(=O)=O ZINC001184585512 790370455 /nfs/dbraw/zinc/37/04/55/790370455.db2.gz PXCIIKPVXWEXMT-GHMZBOCLSA-N 1 0 345.425 -1.726 20 30 EAEDRO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)S(N)(=O)=O ZINC001184585513 790371019 /nfs/dbraw/zinc/37/10/19/790371019.db2.gz PXCIIKPVXWEXMT-MNOVXSKESA-N 1 0 345.425 -1.726 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001184585531 790369899 /nfs/dbraw/zinc/36/98/99/790369899.db2.gz QKUCLPSYDIABAH-NEPJUHHUSA-N 1 0 344.437 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001184585542 790370636 /nfs/dbraw/zinc/37/06/36/790370636.db2.gz QKUCLPSYDIABAH-VXGBXAGGSA-N 1 0 344.437 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001184602434 790372461 /nfs/dbraw/zinc/37/24/61/790372461.db2.gz WSCCDIYUQHMRIH-CHWSQXEVSA-N 1 0 341.433 -1.106 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001184602435 790371813 /nfs/dbraw/zinc/37/18/13/790371813.db2.gz WSCCDIYUQHMRIH-OLZOCXBDSA-N 1 0 341.433 -1.106 20 30 EAEDRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001184608780 790372675 /nfs/dbraw/zinc/37/26/75/790372675.db2.gz DLGBUPQACBYZPM-OCCSQVGLSA-N 1 0 334.380 -1.062 20 30 EAEDRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001184608785 790373432 /nfs/dbraw/zinc/37/34/32/790373432.db2.gz DLGBUPQACBYZPM-TZMCWYRMSA-N 1 0 334.380 -1.062 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184618637 790372211 /nfs/dbraw/zinc/37/22/11/790372211.db2.gz FGYNPCQMESNBSY-SNVBAGLBSA-N 1 0 331.398 -3.020 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619293 790374352 /nfs/dbraw/zinc/37/43/52/790374352.db2.gz RFMYDFIWDHCPOY-GHMZBOCLSA-N 1 0 345.425 -2.631 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619294 790375173 /nfs/dbraw/zinc/37/51/73/790375173.db2.gz RFMYDFIWDHCPOY-WDEREUQCSA-N 1 0 345.425 -2.631 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619484 790374412 /nfs/dbraw/zinc/37/44/12/790374412.db2.gz VKQIHMMSLARPHU-GHMZBOCLSA-N 1 0 347.441 -2.079 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619485 790374523 /nfs/dbraw/zinc/37/45/23/790374523.db2.gz VKQIHMMSLARPHU-WDEREUQCSA-N 1 0 347.441 -2.079 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184619506 790375750 /nfs/dbraw/zinc/37/57/50/790375750.db2.gz WGZCICXJYDVVOH-SECBINFHSA-N 1 0 332.386 -3.130 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184628765 790375946 /nfs/dbraw/zinc/37/59/46/790375946.db2.gz PVWZPHOJOWQOIZ-SNVBAGLBSA-N 1 0 333.414 -2.467 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001184645421 790374796 /nfs/dbraw/zinc/37/47/96/790374796.db2.gz FBAQZSXIWLJLKB-NEPJUHHUSA-N 1 0 342.421 -1.216 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001184645422 790374821 /nfs/dbraw/zinc/37/48/21/790374821.db2.gz FBAQZSXIWLJLKB-VXGBXAGGSA-N 1 0 342.421 -1.216 20 30 EAEDRO Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1C ZINC001184755422 790376613 /nfs/dbraw/zinc/37/66/13/790376613.db2.gz PMFVCYHQLRREST-GFCCVEGCSA-N 1 0 346.391 -1.159 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001184762716 790377142 /nfs/dbraw/zinc/37/71/42/790377142.db2.gz GIFDITXWUOELMY-CYBMUJFWSA-N 1 0 345.403 -1.049 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184778438 790377898 /nfs/dbraw/zinc/37/78/98/790377898.db2.gz LMANWMORVJGJDT-SNVBAGLBSA-N 1 0 335.368 -1.071 20 30 EAEDRO Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1=O ZINC001184792760 790379649 /nfs/dbraw/zinc/37/96/49/790379649.db2.gz UJRFGMFRGVZROB-SECBINFHSA-N 1 0 334.336 -2.070 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001184800080 790380544 /nfs/dbraw/zinc/38/05/44/790380544.db2.gz OJZCKOZFRDUQBO-GFCCVEGCSA-N 1 0 327.348 -1.322 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001184800228 790379729 /nfs/dbraw/zinc/37/97/29/790379729.db2.gz QPKDPGAXVTXQDU-LLVKDONJSA-N 1 0 328.336 -1.432 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814970 790378697 /nfs/dbraw/zinc/37/86/97/790378697.db2.gz GUDGXPSTSKPRRR-CHWSQXEVSA-N 1 0 335.408 -2.253 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814971 790378754 /nfs/dbraw/zinc/37/87/54/790378754.db2.gz GUDGXPSTSKPRRR-QWHCGFSZSA-N 1 0 335.408 -2.253 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815282 790379779 /nfs/dbraw/zinc/37/97/79/790379779.db2.gz QIIDZSQRIHBQEX-CHWSQXEVSA-N 1 0 337.424 -1.701 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815283 790378967 /nfs/dbraw/zinc/37/89/67/790378967.db2.gz QIIDZSQRIHBQEX-QWHCGFSZSA-N 1 0 337.424 -1.701 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858872 790382516 /nfs/dbraw/zinc/38/25/16/790382516.db2.gz SEYHUKCOJZFRPU-GHMZBOCLSA-N 1 0 337.380 -1.675 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858873 790381446 /nfs/dbraw/zinc/38/14/46/790381446.db2.gz SEYHUKCOJZFRPU-MNOVXSKESA-N 1 0 337.380 -1.675 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184868061 790381287 /nfs/dbraw/zinc/38/12/87/790381287.db2.gz PGPLLSFJXNXLBK-GHMZBOCLSA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184868062 790382759 /nfs/dbraw/zinc/38/27/59/790382759.db2.gz PGPLLSFJXNXLBK-WDEREUQCSA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184923682 790384057 /nfs/dbraw/zinc/38/40/57/790384057.db2.gz BTOSLYQEANBVJH-SECBINFHSA-N 1 0 336.356 -1.974 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184923690 790383702 /nfs/dbraw/zinc/38/37/02/790383702.db2.gz CAZARCHUUUYTAA-LLVKDONJSA-N 1 0 334.384 -1.224 20 30 EAEDRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184956646 790384694 /nfs/dbraw/zinc/38/46/94/790384694.db2.gz RCLNCXHXXFWSGC-GHMZBOCLSA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184956647 790385042 /nfs/dbraw/zinc/38/50/42/790385042.db2.gz RCLNCXHXXFWSGC-MNOVXSKESA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184956648 790384014 /nfs/dbraw/zinc/38/40/14/790384014.db2.gz RCLNCXHXXFWSGC-QWRGUYRKSA-N 1 0 334.384 -1.462 20 30 EAEDRO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001184956649 790384440 /nfs/dbraw/zinc/38/44/40/790384440.db2.gz RCLNCXHXXFWSGC-WDEREUQCSA-N 1 0 334.384 -1.462 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001184956960 790384564 /nfs/dbraw/zinc/38/45/64/790384564.db2.gz VDWJACTWKMEQOI-NEPJUHHUSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001184956961 790384170 /nfs/dbraw/zinc/38/41/70/790384170.db2.gz VDWJACTWKMEQOI-NWDGAFQWSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001184956962 790384735 /nfs/dbraw/zinc/38/47/35/790384735.db2.gz VDWJACTWKMEQOI-RYUDHWBXSA-N 1 0 333.396 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001184956963 790385726 /nfs/dbraw/zinc/38/57/26/790385726.db2.gz VDWJACTWKMEQOI-VXGBXAGGSA-N 1 0 333.396 -1.353 20 30 EAEDRO CC(C)N1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137344 790386548 /nfs/dbraw/zinc/38/65/48/790386548.db2.gz WMGQKHLQLCTYLO-KGLIPLIRSA-N 1 0 337.424 -1.074 20 30 EAEDRO CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137353 790386604 /nfs/dbraw/zinc/38/66/04/790386604.db2.gz WMGQKHLQLCTYLO-ZIAGYGMSSA-N 1 0 337.424 -1.074 20 30 EAEDRO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001185175662 790389357 /nfs/dbraw/zinc/38/93/57/790389357.db2.gz KAVWBMVMYLWZBG-NWDGAFQWSA-N 1 0 345.407 -1.250 20 30 EAEDRO Cn1nnc2c1C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001185175670 790388327 /nfs/dbraw/zinc/38/83/27/790388327.db2.gz KAVWBMVMYLWZBG-VXGBXAGGSA-N 1 0 345.407 -1.250 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001185176460 790389259 /nfs/dbraw/zinc/38/92/59/790389259.db2.gz UMNUVJNOANCXLL-CHWSQXEVSA-N 1 0 344.419 -1.140 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001185176462 790389305 /nfs/dbraw/zinc/38/93/05/790389305.db2.gz UMNUVJNOANCXLL-QWHCGFSZSA-N 1 0 344.419 -1.140 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC001185183237 790389231 /nfs/dbraw/zinc/38/92/31/790389231.db2.gz JWCLRIBQRMATOI-LLVKDONJSA-N 1 0 332.360 -1.139 20 30 EAEDRO Cn1nnc2c1nccc2C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185183316 790390319 /nfs/dbraw/zinc/39/03/19/790390319.db2.gz MHEVPOMXQRDLOC-SNVBAGLBSA-N 1 0 342.363 -1.193 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC001185184215 790388271 /nfs/dbraw/zinc/38/82/71/790388271.db2.gz XHMRZCIOONHMIC-SNVBAGLBSA-N 1 0 333.348 -1.249 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc3c2nnn3C)C1 ZINC001185184271 790388307 /nfs/dbraw/zinc/38/83/07/790388307.db2.gz XTNMEHPZNXIPKZ-LLVKDONJSA-N 1 0 341.375 -1.083 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209449 790390289 /nfs/dbraw/zinc/39/02/89/790390289.db2.gz XQQBUXFNDVTDBN-SNVBAGLBSA-N 1 0 348.363 -1.414 20 30 EAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001185244939 790390351 /nfs/dbraw/zinc/39/03/51/790390351.db2.gz RUPHLRHSOPZJCA-LLVKDONJSA-N 1 0 330.396 -1.132 20 30 EAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001185244943 790388093 /nfs/dbraw/zinc/38/80/93/790388093.db2.gz RUPHLRHSOPZJCA-NSHDSACASA-N 1 0 330.396 -1.132 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185256661 790391154 /nfs/dbraw/zinc/39/11/54/790391154.db2.gz JGIPMEMZAJNUFN-NXEZZACHSA-N 1 0 338.368 -2.130 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256667 790392604 /nfs/dbraw/zinc/39/26/04/790392604.db2.gz JGIPMEMZAJNUFN-ZJUUUORDSA-N 1 0 338.368 -2.130 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257782 790392462 /nfs/dbraw/zinc/39/24/62/790392462.db2.gz ZCFDBLALMFFGAW-NEPJUHHUSA-N 1 0 336.396 -1.380 20 30 EAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257783 790391650 /nfs/dbraw/zinc/39/16/50/790391650.db2.gz ZCFDBLALMFFGAW-VXGBXAGGSA-N 1 0 336.396 -1.380 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289760 790394095 /nfs/dbraw/zinc/39/40/95/790394095.db2.gz SVXADFWTJSUIDX-SNVBAGLBSA-N 1 0 337.380 -1.546 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185296309 790394643 /nfs/dbraw/zinc/39/46/43/790394643.db2.gz LQQDMQZLPWIQSF-NWDGAFQWSA-N 1 0 346.453 -1.064 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185296312 790394405 /nfs/dbraw/zinc/39/44/05/790394405.db2.gz LQQDMQZLPWIQSF-VXGBXAGGSA-N 1 0 346.453 -1.064 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185296847 790394828 /nfs/dbraw/zinc/39/48/28/790394828.db2.gz UQKZLQXOLHMKPQ-NWDGAFQWSA-N 1 0 344.437 -1.617 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185296848 790394620 /nfs/dbraw/zinc/39/46/20/790394620.db2.gz UQKZLQXOLHMKPQ-VXGBXAGGSA-N 1 0 344.437 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185296853 790394568 /nfs/dbraw/zinc/39/45/68/790394568.db2.gz UVUQIGCZVZSMKH-LLVKDONJSA-N 1 0 330.410 -2.005 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305608 790393605 /nfs/dbraw/zinc/39/36/05/790393605.db2.gz XNSILPQNNRHXQZ-LLVKDONJSA-N 1 0 332.426 -1.452 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305685 790394474 /nfs/dbraw/zinc/39/44/74/790394474.db2.gz ZCFPBYVSCBWNAJ-SNVBAGLBSA-N 1 0 331.398 -2.115 20 30 EAEDRO NC(=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#Cc2ccccc2)C1 ZINC001185334684 790395812 /nfs/dbraw/zinc/39/58/12/790395812.db2.gz TZZRPPIMOVSDLT-CQSZACIVSA-N 1 0 328.372 -1.170 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001185360425 790397392 /nfs/dbraw/zinc/39/73/92/790397392.db2.gz OQNSHGSYGDIPGC-KBPBESRZSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001185360426 790396425 /nfs/dbraw/zinc/39/64/25/790396425.db2.gz OQNSHGSYGDIPGC-KGLIPLIRSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001185360427 790396360 /nfs/dbraw/zinc/39/63/60/790396360.db2.gz OQNSHGSYGDIPGC-UONOGXRCSA-N 1 0 347.423 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001185360428 790396056 /nfs/dbraw/zinc/39/60/56/790396056.db2.gz OQNSHGSYGDIPGC-ZIAGYGMSSA-N 1 0 347.423 -1.113 20 30 EAEDRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185361221 790397692 /nfs/dbraw/zinc/39/76/92/790397692.db2.gz WPFRLAGOKFNZNL-CHWSQXEVSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185361222 790397001 /nfs/dbraw/zinc/39/70/01/790397001.db2.gz WPFRLAGOKFNZNL-OLZOCXBDSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185361223 790396877 /nfs/dbraw/zinc/39/68/77/790396877.db2.gz WPFRLAGOKFNZNL-QWHCGFSZSA-N 1 0 348.411 -1.223 20 30 EAEDRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185361224 790396590 /nfs/dbraw/zinc/39/65/90/790396590.db2.gz WPFRLAGOKFNZNL-STQMWFEESA-N 1 0 348.411 -1.223 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185539828 790401287 /nfs/dbraw/zinc/40/12/87/790401287.db2.gz PUKJLMNNSCXLLY-NEPJUHHUSA-N 1 0 342.396 -1.150 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185539829 790401257 /nfs/dbraw/zinc/40/12/57/790401257.db2.gz PUKJLMNNSCXLLY-VXGBXAGGSA-N 1 0 342.396 -1.150 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001185567600 790399712 /nfs/dbraw/zinc/39/97/12/790399712.db2.gz XHECMOFFXWHYMX-SNVBAGLBSA-N 1 0 341.393 -1.489 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185628206 790401801 /nfs/dbraw/zinc/40/18/01/790401801.db2.gz GZNSPVXKRJGBLY-CHWSQXEVSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185628207 790401331 /nfs/dbraw/zinc/40/13/31/790401331.db2.gz GZNSPVXKRJGBLY-OLZOCXBDSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185628208 790401138 /nfs/dbraw/zinc/40/11/38/790401138.db2.gz GZNSPVXKRJGBLY-QWHCGFSZSA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185628209 790401199 /nfs/dbraw/zinc/40/11/99/790401199.db2.gz GZNSPVXKRJGBLY-STQMWFEESA-N 1 0 333.396 -1.008 20 30 EAEDRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185661843 790405045 /nfs/dbraw/zinc/40/50/45/790405045.db2.gz GORKAOYEJJPRBL-NEPJUHHUSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185661844 790404527 /nfs/dbraw/zinc/40/45/27/790404527.db2.gz GORKAOYEJJPRBL-NWDGAFQWSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185661845 790404991 /nfs/dbraw/zinc/40/49/91/790404991.db2.gz GORKAOYEJJPRBL-RYUDHWBXSA-N 1 0 338.412 -1.241 20 30 EAEDRO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185661847 790404158 /nfs/dbraw/zinc/40/41/58/790404158.db2.gz GORKAOYEJJPRBL-VXGBXAGGSA-N 1 0 338.412 -1.241 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001185665285 790406563 /nfs/dbraw/zinc/40/65/63/790406563.db2.gz ZGNWOTZLYDDQSL-CHWSQXEVSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001185665286 790406780 /nfs/dbraw/zinc/40/67/80/790406780.db2.gz ZGNWOTZLYDDQSL-OLZOCXBDSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001185665287 790406378 /nfs/dbraw/zinc/40/63/78/790406378.db2.gz ZGNWOTZLYDDQSL-QWHCGFSZSA-N 1 0 337.424 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001185665288 790407044 /nfs/dbraw/zinc/40/70/44/790407044.db2.gz ZGNWOTZLYDDQSL-STQMWFEESA-N 1 0 337.424 -1.132 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185690479 790404832 /nfs/dbraw/zinc/40/48/32/790404832.db2.gz USCTXQPCQDSQML-MXWKQRLJSA-N 1 0 337.380 -1.690 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001185705837 790404642 /nfs/dbraw/zinc/40/46/42/790404642.db2.gz GXFIZPFTPXLFMZ-GFCCVEGCSA-N 1 0 345.407 -1.013 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185749884 790406265 /nfs/dbraw/zinc/40/62/65/790406265.db2.gz OISFQFNXKNQKNX-GFCCVEGCSA-N 1 0 349.395 -1.060 20 30 EAEDRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)ncc1C(N)=O ZINC001185759550 790407406 /nfs/dbraw/zinc/40/74/06/790407406.db2.gz XADIEAPWHCEBDL-LLVKDONJSA-N 1 0 344.375 -1.067 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185775671 790407028 /nfs/dbraw/zinc/40/70/28/790407028.db2.gz HGIJGRXZUGAFMU-NWDGAFQWSA-N 1 0 346.395 -1.544 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185775675 790406707 /nfs/dbraw/zinc/40/67/07/790406707.db2.gz HGIJGRXZUGAFMU-VXGBXAGGSA-N 1 0 346.395 -1.544 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185776239 790407375 /nfs/dbraw/zinc/40/73/75/790407375.db2.gz YLMOVRDSLBYXDC-CHWSQXEVSA-N 1 0 345.407 -1.435 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001185776240 790407126 /nfs/dbraw/zinc/40/71/26/790407126.db2.gz YLMOVRDSLBYXDC-QWHCGFSZSA-N 1 0 345.407 -1.435 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001185783883 790406015 /nfs/dbraw/zinc/40/60/15/790406015.db2.gz KQPWWYMQSQGBPK-GFCCVEGCSA-N 1 0 345.403 -1.096 20 30 EAEDRO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185783994 790407054 /nfs/dbraw/zinc/40/70/54/790407054.db2.gz NRGKFOJPFLEZIC-LLVKDONJSA-N 1 0 346.391 -1.205 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001185823248 790408305 /nfs/dbraw/zinc/40/83/05/790408305.db2.gz LLTGCDYKDACEPW-CQSZACIVSA-N 1 0 343.387 -1.249 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001185823551 790408070 /nfs/dbraw/zinc/40/80/70/790408070.db2.gz PQUZZAMCWMWMSO-CYBMUJFWSA-N 1 0 344.375 -1.358 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185913184 790414718 /nfs/dbraw/zinc/41/47/18/790414718.db2.gz SOVZTIXSZCTXPY-GHMZBOCLSA-N 1 0 330.410 -2.136 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913185 790413733 /nfs/dbraw/zinc/41/37/33/790413733.db2.gz SOVZTIXSZCTXPY-WDEREUQCSA-N 1 0 330.410 -2.136 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940054 790411793 /nfs/dbraw/zinc/41/17/93/790411793.db2.gz BPULHCLQECHGLZ-AXFHLTTASA-N 1 0 337.380 -1.534 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940068 790412522 /nfs/dbraw/zinc/41/25/22/790412522.db2.gz BPULHCLQECHGLZ-MXWKQRLJSA-N 1 0 337.380 -1.534 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940638 790411895 /nfs/dbraw/zinc/41/18/95/790411895.db2.gz KHMWQLUFBAVVLH-AXFHLTTASA-N 1 0 335.364 -2.087 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940640 790412547 /nfs/dbraw/zinc/41/25/47/790412547.db2.gz KHMWQLUFBAVVLH-MXWKQRLJSA-N 1 0 335.364 -2.087 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185959731 790416038 /nfs/dbraw/zinc/41/60/38/790416038.db2.gz OUPWTKDPIGSAMU-LLVKDONJSA-N 1 0 347.441 -2.125 20 30 EAEDRO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185960211 790416114 /nfs/dbraw/zinc/41/61/14/790416114.db2.gz VGOQFHOGDJHURR-SNVBAGLBSA-N 1 0 346.413 -2.787 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977195 790415708 /nfs/dbraw/zinc/41/57/08/790415708.db2.gz NXIQSTQTOMPHOT-LLVKDONJSA-N 1 0 345.425 -2.678 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977429 790415552 /nfs/dbraw/zinc/41/55/52/790415552.db2.gz QBOSSAJOBXBFQJ-GFCCVEGCSA-N 1 0 334.442 -1.225 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185977765 790418417 /nfs/dbraw/zinc/41/84/17/790418417.db2.gz VPKLVHLIUNEHBC-GFCCVEGCSA-N 1 0 332.426 -1.777 20 30 EAEDRO Cc1ccn(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c(=O)c1 ZINC001185985391 790414256 /nfs/dbraw/zinc/41/42/56/790414256.db2.gz DQDTVFIORABNKB-CYBMUJFWSA-N 1 0 331.376 -1.013 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001186017796 790418318 /nfs/dbraw/zinc/41/83/18/790418318.db2.gz AGTDOBXKQUGUET-CHWSQXEVSA-N 1 0 341.433 -1.249 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001186017801 790418260 /nfs/dbraw/zinc/41/82/60/790418260.db2.gz AGTDOBXKQUGUET-QWHCGFSZSA-N 1 0 341.433 -1.249 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001186020075 790418652 /nfs/dbraw/zinc/41/86/52/790418652.db2.gz ZPOXDSDDIIVJAB-NWDGAFQWSA-N 1 0 342.421 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001186020076 790417603 /nfs/dbraw/zinc/41/76/03/790417603.db2.gz ZPOXDSDDIIVJAB-VXGBXAGGSA-N 1 0 342.421 -1.359 20 30 EAEDRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c(=O)n(C)c1=O ZINC001186030290 790418606 /nfs/dbraw/zinc/41/86/06/790418606.db2.gz ANNUKMNWDIWTCI-SNVBAGLBSA-N 1 0 348.363 -2.472 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001186030344 790418469 /nfs/dbraw/zinc/41/84/69/790418469.db2.gz CCEOJAWAYKNONQ-CYBMUJFWSA-N 1 0 344.375 -1.269 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001186030660 790417415 /nfs/dbraw/zinc/41/74/15/790417415.db2.gz FEZHYBQYJRWESU-LLVKDONJSA-N 1 0 329.422 -1.251 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001186031332 790417384 /nfs/dbraw/zinc/41/73/84/790417384.db2.gz JVGNIHGUHLYYRW-GFCCVEGCSA-N 1 0 342.421 -1.359 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001186031800 790418326 /nfs/dbraw/zinc/41/83/26/790418326.db2.gz LZNAIYOMSHYTHV-CYBMUJFWSA-N 1 0 341.433 -1.249 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186032850 790419999 /nfs/dbraw/zinc/41/99/99/790419999.db2.gz VWKBXPCZZWMCGE-LLVKDONJSA-N 1 0 347.375 -2.363 20 30 EAEDRO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)S(C)(=O)=O ZINC001186032877 790420217 /nfs/dbraw/zinc/42/02/17/790420217.db2.gz WDKCOZKYFBSYRK-SNVBAGLBSA-N 1 0 330.410 -1.360 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186032964 790420127 /nfs/dbraw/zinc/42/01/27/790420127.db2.gz YFAREXMPLHRBOU-LLVKDONJSA-N 1 0 349.391 -1.810 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001186041688 790419651 /nfs/dbraw/zinc/41/96/51/790419651.db2.gz QUBUGIWGTVEOKK-GFCCVEGCSA-N 1 0 334.376 -1.462 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048409 790420346 /nfs/dbraw/zinc/42/03/46/790420346.db2.gz GEMKGPFSYKZWRE-SNVBAGLBSA-N 1 0 349.347 -2.653 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186048435 790419848 /nfs/dbraw/zinc/41/98/48/790419848.db2.gz HFWKDSARFPKTBO-LLVKDONJSA-N 1 0 336.348 -1.753 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001186049314 790420183 /nfs/dbraw/zinc/42/01/83/790420183.db2.gz PECOFMFAVQQFTI-LLVKDONJSA-N 1 0 338.364 -1.200 20 30 EAEDRO CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186075473 790420955 /nfs/dbraw/zinc/42/09/55/790420955.db2.gz URXMXYXSZQUXFY-LLVKDONJSA-N 1 0 338.412 -1.086 20 30 EAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186103585 790422775 /nfs/dbraw/zinc/42/27/75/790422775.db2.gz LBXOEGZMSFIXML-NEPJUHHUSA-N 1 0 339.396 -1.157 20 30 EAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186103587 790422016 /nfs/dbraw/zinc/42/20/16/790422016.db2.gz LBXOEGZMSFIXML-VXGBXAGGSA-N 1 0 339.396 -1.157 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118073 790421975 /nfs/dbraw/zinc/42/19/75/790421975.db2.gz DPNCQKPLIWSNNH-NEPJUHHUSA-N 1 0 339.396 -2.141 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118082 790422234 /nfs/dbraw/zinc/42/22/34/790422234.db2.gz FBZVQHBULARHGD-NEPJUHHUSA-N 1 0 337.380 -2.694 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119604 790425096 /nfs/dbraw/zinc/42/50/96/790425096.db2.gz UCCNIWYHYDRXDB-OLZOCXBDSA-N 1 0 326.397 -1.240 20 30 EAEDRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C(N)=O ZINC001186119873 790423987 /nfs/dbraw/zinc/42/39/87/790423987.db2.gz XRGCDHSLPDYTIW-MNOVXSKESA-N 1 0 338.368 -2.803 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163721 790423824 /nfs/dbraw/zinc/42/38/24/790423824.db2.gz BUZNCSSLZPUJEU-LLVKDONJSA-N 1 0 339.396 -1.333 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)nn1 ZINC001186177015 790426973 /nfs/dbraw/zinc/42/69/73/790426973.db2.gz BLJAMUXGZNCWEZ-LLVKDONJSA-N 1 0 342.425 -1.183 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001186177420 790426151 /nfs/dbraw/zinc/42/61/51/790426151.db2.gz LITHSWGIYBRINS-NXEZZACHSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001186177421 790426022 /nfs/dbraw/zinc/42/60/22/790426022.db2.gz LITHSWGIYBRINS-VHSXEESVSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)nn1 ZINC001186178263 790426208 /nfs/dbraw/zinc/42/62/08/790426208.db2.gz ZVRMMXPUAXKJQE-SNVBAGLBSA-N 1 0 335.368 -1.276 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193874 790425762 /nfs/dbraw/zinc/42/57/62/790425762.db2.gz LHRZNBWPDOCWRY-LLVKDONJSA-N 1 0 346.453 -1.193 20 30 EAEDRO CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186194009 790426526 /nfs/dbraw/zinc/42/65/26/790426526.db2.gz RLGPVXQCSGSMFC-SNVBAGLBSA-N 1 0 345.425 -1.856 20 30 EAEDRO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186194024 790426937 /nfs/dbraw/zinc/42/69/37/790426937.db2.gz SASWVSGFFKORRM-LLVKDONJSA-N 1 0 334.384 -1.373 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nnnc2C(C)C)C1 ZINC001186194039 790426073 /nfs/dbraw/zinc/42/60/73/790426073.db2.gz STFYJHSXKWCYLO-GFCCVEGCSA-N 1 0 333.396 -1.264 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186194146 790426334 /nfs/dbraw/zinc/42/63/34/790426334.db2.gz YSSSUDDZARSLDD-LLVKDONJSA-N 1 0 344.437 -1.746 20 30 EAEDRO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001186221500 790426704 /nfs/dbraw/zinc/42/67/04/790426704.db2.gz MIIXSSUSBRATEE-SNVBAGLBSA-N 1 0 335.368 -1.147 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186234000 790425968 /nfs/dbraw/zinc/42/59/68/790425968.db2.gz AUCOHNXHLWAONL-CHWSQXEVSA-N 1 0 329.422 -1.139 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186234001 790427055 /nfs/dbraw/zinc/42/70/55/790427055.db2.gz AUCOHNXHLWAONL-OLZOCXBDSA-N 1 0 329.422 -1.139 20 30 EAEDRO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)S1(=O)=O ZINC001186234495 790426509 /nfs/dbraw/zinc/42/65/09/790426509.db2.gz HRDOJSOJGAABSH-GHMZBOCLSA-N 1 0 343.409 -2.149 20 30 EAEDRO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)S1(=O)=O ZINC001186234496 790425605 /nfs/dbraw/zinc/42/56/05/790425605.db2.gz HRDOJSOJGAABSH-MNOVXSKESA-N 1 0 343.409 -2.149 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235089 790427786 /nfs/dbraw/zinc/42/77/86/790427786.db2.gz RYTRWDUVABCDNZ-NEPJUHHUSA-N 1 0 342.421 -2.040 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235090 790428899 /nfs/dbraw/zinc/42/88/99/790428899.db2.gz RYTRWDUVABCDNZ-VXGBXAGGSA-N 1 0 342.421 -2.040 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001186235475 790428694 /nfs/dbraw/zinc/42/86/94/790428694.db2.gz ZMNZWQUYUQRZHI-NEPJUHHUSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001186235477 790428245 /nfs/dbraw/zinc/42/82/45/790428245.db2.gz ZMNZWQUYUQRZHI-VXGBXAGGSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186249463 790428016 /nfs/dbraw/zinc/42/80/16/790428016.db2.gz DHABXCVJIKQJQT-NOEPWBJOSA-N 1 0 349.391 -1.533 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186249467 790428427 /nfs/dbraw/zinc/42/84/27/790428427.db2.gz DLHSFYFUYIOIHI-KGXJWFGYSA-N 1 0 348.363 -2.195 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186249507 790428451 /nfs/dbraw/zinc/42/84/51/790428451.db2.gz FIERGDNYMAXGGT-NOEPWBJOSA-N 1 0 347.375 -2.086 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001186250284 790427904 /nfs/dbraw/zinc/42/79/04/790427904.db2.gz QFHNISPXPSXMJX-DOMZBBRYSA-N 1 0 341.433 -1.106 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001186250285 790428711 /nfs/dbraw/zinc/42/87/11/790428711.db2.gz QFHNISPXPSXMJX-IUODEOHRSA-N 1 0 341.433 -1.106 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001186250730 790426744 /nfs/dbraw/zinc/42/67/44/790426744.db2.gz WDDJPEQTCWRXTN-BWBHSNQOSA-N 1 0 334.376 -1.185 20 30 EAEDRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCCS1(=O)=O ZINC001186250784 790426831 /nfs/dbraw/zinc/42/68/31/790426831.db2.gz XGWHHYQMXXJRGI-BXUZGUMPSA-N 1 0 342.421 -1.216 20 30 EAEDRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCCS1(=O)=O ZINC001186250787 790426192 /nfs/dbraw/zinc/42/61/92/790426192.db2.gz XGWHHYQMXXJRGI-RISCZKNCSA-N 1 0 342.421 -1.216 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001186275739 790430088 /nfs/dbraw/zinc/43/00/88/790430088.db2.gz QYKFPONTUTWQQF-LLVKDONJSA-N 1 0 343.347 -1.121 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001186276220 790429782 /nfs/dbraw/zinc/42/97/82/790429782.db2.gz YNEBFLQGGBHDPR-GFCCVEGCSA-N 1 0 342.359 -1.012 20 30 EAEDRO CS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186276254 790429647 /nfs/dbraw/zinc/42/96/47/790429647.db2.gz YZELOPOUUXINTI-LLVKDONJSA-N 1 0 330.410 -1.359 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 ZINC001186280826 790430590 /nfs/dbraw/zinc/43/05/90/790430590.db2.gz KZUYTEUMVITJPM-GFCCVEGCSA-N 1 0 329.422 -1.249 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186305204 790429490 /nfs/dbraw/zinc/42/94/90/790429490.db2.gz YNTUZMBJYHXYQH-CMPLNLGQSA-N 1 0 334.376 -1.632 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186305205 790430827 /nfs/dbraw/zinc/43/08/27/790430827.db2.gz YNTUZMBJYHXYQH-ZYHUDNBSSA-N 1 0 334.376 -1.632 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312522 790431069 /nfs/dbraw/zinc/43/10/69/790431069.db2.gz SCTXMIMPBCNCJG-SNVBAGLBSA-N 1 0 335.368 -1.369 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186312776 790431546 /nfs/dbraw/zinc/43/15/46/790431546.db2.gz WEFUCJFPCPBCAU-CMPLNLGQSA-N 1 0 336.392 -1.080 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186312777 790432068 /nfs/dbraw/zinc/43/20/68/790432068.db2.gz WEFUCJFPCPBCAU-ZYHUDNBSSA-N 1 0 336.392 -1.080 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186355668 790432878 /nfs/dbraw/zinc/43/28/78/790432878.db2.gz AODHCHIXCPDQNA-AWEZNQCLSA-N 1 0 337.420 -1.037 20 30 EAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186355669 790431412 /nfs/dbraw/zinc/43/14/12/790431412.db2.gz AODHCHIXCPDQNA-CQSZACIVSA-N 1 0 337.420 -1.037 20 30 EAEDRO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)N1CCOCC1 ZINC001186367176 790431898 /nfs/dbraw/zinc/43/18/98/790431898.db2.gz OKSAZBLOMMBKAN-CYBMUJFWSA-N 1 0 337.424 -1.073 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371100 790434691 /nfs/dbraw/zinc/43/46/91/790434691.db2.gz CRPVJEBXMNEILF-GFCCVEGCSA-N 1 0 349.391 -1.581 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371113 790434783 /nfs/dbraw/zinc/43/47/83/790434783.db2.gz DCBZVGXBGLZIDR-CYBMUJFWSA-N 1 0 334.376 -1.233 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186371358 790433529 /nfs/dbraw/zinc/43/35/29/790433529.db2.gz GUTQJHIWOCHFGF-GFCCVEGCSA-N 1 0 347.375 -2.133 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001186372460 790434466 /nfs/dbraw/zinc/43/44/66/790434466.db2.gz XSRHCYOUQQKTQJ-LLVKDONJSA-N 1 0 348.363 -2.243 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376318 790434967 /nfs/dbraw/zinc/43/49/67/790434967.db2.gz AVILJMXHXQCYJI-KGLIPLIRSA-N 1 0 338.408 -1.403 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186376319 790434397 /nfs/dbraw/zinc/43/43/97/790434397.db2.gz AVILJMXHXQCYJI-ZIAGYGMSSA-N 1 0 338.408 -1.403 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395981 790432970 /nfs/dbraw/zinc/43/29/70/790432970.db2.gz ORMJTZMPTRNILW-GHMZBOCLSA-N 1 0 335.364 -2.133 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186395982 790432799 /nfs/dbraw/zinc/43/27/99/790432799.db2.gz ORMJTZMPTRNILW-WDEREUQCSA-N 1 0 335.364 -2.133 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396619 790433971 /nfs/dbraw/zinc/43/39/71/790433971.db2.gz YGNRQPMHDRZJAW-GHMZBOCLSA-N 1 0 337.380 -1.581 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396621 790434998 /nfs/dbraw/zinc/43/49/98/790434998.db2.gz YGNRQPMHDRZJAW-WDEREUQCSA-N 1 0 337.380 -1.581 20 30 EAEDRO CCn1nc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)ccc1=O ZINC001186421002 790436446 /nfs/dbraw/zinc/43/64/46/790436446.db2.gz USKZECXITPVREB-LLVKDONJSA-N 1 0 332.364 -1.293 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001186421058 790436074 /nfs/dbraw/zinc/43/60/74/790436074.db2.gz XEODYIVQUIELJI-GFCCVEGCSA-N 1 0 331.376 -1.183 20 30 EAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC12CCOCC2 ZINC001186443622 790434128 /nfs/dbraw/zinc/43/41/28/790434128.db2.gz BIHYZTLTQJNEKG-HNNXBMFYSA-N 1 0 348.447 -1.104 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC12CCOCC2 ZINC001186443624 790434707 /nfs/dbraw/zinc/43/47/07/790434707.db2.gz BIHYZTLTQJNEKG-OAHLLOKOSA-N 1 0 348.447 -1.104 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001186458243 790435630 /nfs/dbraw/zinc/43/56/30/790435630.db2.gz LOIBBVCTHDOWPI-LLVKDONJSA-N 1 0 327.348 -1.322 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001186459561 790436534 /nfs/dbraw/zinc/43/65/34/790436534.db2.gz XRNLKPXUVNFLPJ-SNVBAGLBSA-N 1 0 328.336 -1.432 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464458 790436588 /nfs/dbraw/zinc/43/65/88/790436588.db2.gz KZWWMDTXDQAWRH-GFCCVEGCSA-N 1 0 336.392 -1.934 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464459 790435935 /nfs/dbraw/zinc/43/59/35/790435935.db2.gz KZWWMDTXDQAWRH-LBPRGKRZSA-N 1 0 336.392 -1.934 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464528 790436463 /nfs/dbraw/zinc/43/64/63/790436463.db2.gz MSGDGKGMKSPNEP-LLVKDONJSA-N 1 0 337.380 -2.044 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464529 790436105 /nfs/dbraw/zinc/43/61/05/790436105.db2.gz MSGDGKGMKSPNEP-NSHDSACASA-N 1 0 337.380 -2.044 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464956 790437164 /nfs/dbraw/zinc/43/71/64/790437164.db2.gz SRHAHQBENMDZAM-GFCCVEGCSA-N 1 0 338.408 -1.381 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464957 790438085 /nfs/dbraw/zinc/43/80/85/790438085.db2.gz SRHAHQBENMDZAM-LBPRGKRZSA-N 1 0 338.408 -1.381 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001186544881 790439579 /nfs/dbraw/zinc/43/95/79/790439579.db2.gz DLLZZPOSRNAUAE-LLVKDONJSA-N 1 0 347.375 -1.321 20 30 EAEDRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186546976 790439702 /nfs/dbraw/zinc/43/97/02/790439702.db2.gz XZBKYGAMWMDSIX-SNVBAGLBSA-N 1 0 348.363 -1.431 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001186601315 790444493 /nfs/dbraw/zinc/44/44/93/790444493.db2.gz MPYCDSANBDKPDA-CQSZACIVSA-N 1 0 345.403 -1.200 20 30 EAEDRO Cc1cc(C)n(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c(=O)n1 ZINC001186602189 790444277 /nfs/dbraw/zinc/44/42/77/790444277.db2.gz XJTHWGCEMXJIRE-CYBMUJFWSA-N 1 0 346.391 -1.310 20 30 EAEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@H](CO)NC(C)=O ZINC001186602647 790444430 /nfs/dbraw/zinc/44/44/30/790444430.db2.gz AVAFDYAMKGRXLQ-STQMWFEESA-N 1 0 326.397 -1.634 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646555 790447548 /nfs/dbraw/zinc/44/75/48/790447548.db2.gz LJMILYDFUSOZIP-MRVPVSSYSA-N 1 0 335.286 -1.505 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646775 790448331 /nfs/dbraw/zinc/44/83/31/790448331.db2.gz RNDBFZVXJZOGAF-NXEZZACHSA-N 1 0 348.325 -1.007 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646776 790448118 /nfs/dbraw/zinc/44/81/18/790448118.db2.gz RNDBFZVXJZOGAF-VHSXEESVSA-N 1 0 348.325 -1.007 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646804 790447363 /nfs/dbraw/zinc/44/73/63/790447363.db2.gz SINTWYZDIQGKCE-SECBINFHSA-N 1 0 334.298 -1.395 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673374 790451106 /nfs/dbraw/zinc/45/11/06/790451106.db2.gz DMEQDVOLAKIYEN-UONOGXRCSA-N 1 0 345.403 -1.038 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673375 790449531 /nfs/dbraw/zinc/44/95/31/790449531.db2.gz DMEQDVOLAKIYEN-ZIAGYGMSSA-N 1 0 345.403 -1.038 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC001186673485 790450306 /nfs/dbraw/zinc/45/03/06/790450306.db2.gz KITNDZKBQFRFGI-SNVBAGLBSA-N 1 0 348.325 -1.005 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673575 790449275 /nfs/dbraw/zinc/44/92/75/790449275.db2.gz OLDGOYDIIVOHKO-GFCCVEGCSA-N 1 0 332.364 -1.536 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC(F)(F)F)C1 ZINC001186673710 790451095 /nfs/dbraw/zinc/45/10/95/790451095.db2.gz UWYJRTIGGDSCSE-SECBINFHSA-N 1 0 349.313 -1.115 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673738 790450596 /nfs/dbraw/zinc/45/05/96/790450596.db2.gz VTLXQFMYHIIJBH-CYBMUJFWSA-N 1 0 331.376 -1.427 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001186679447 790449395 /nfs/dbraw/zinc/44/93/95/790449395.db2.gz MUMIEIVSEXIHHG-GFCCVEGCSA-N 1 0 341.433 -1.106 20 30 EAEDRO CS(=O)(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001186680015 790450822 /nfs/dbraw/zinc/45/08/22/790450822.db2.gz TYISZCWFKHFCKW-LLVKDONJSA-N 1 0 342.421 -1.216 20 30 EAEDRO Cn1cnnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186691521 790447051 /nfs/dbraw/zinc/44/70/51/790447051.db2.gz RKKWKMGBLCAGHM-LLVKDONJSA-N 1 0 335.368 -1.838 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186692075 790448447 /nfs/dbraw/zinc/44/84/47/790448447.db2.gz VVRJKLKVACMFGY-GFCCVEGCSA-N 1 0 334.380 -1.728 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186692120 790447114 /nfs/dbraw/zinc/44/71/14/790447114.db2.gz XITLAEUDHCRUSR-GFCCVEGCSA-N 1 0 336.396 -1.176 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001186695278 790448551 /nfs/dbraw/zinc/44/85/51/790448551.db2.gz NMZOTIZDYSRIFO-GFCCVEGCSA-N 1 0 344.437 -1.792 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186704099 790449873 /nfs/dbraw/zinc/44/98/73/790449873.db2.gz UOKMDIDKZSFWJS-GFCCVEGCSA-N 1 0 334.380 -1.728 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186704181 790450301 /nfs/dbraw/zinc/45/03/01/790450301.db2.gz XWTGKECSRDKAAI-CHWSQXEVSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186704182 790450615 /nfs/dbraw/zinc/45/06/15/790450615.db2.gz XWTGKECSRDKAAI-QWHCGFSZSA-N 1 0 348.407 -1.340 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001186710512 790450996 /nfs/dbraw/zinc/45/09/96/790450996.db2.gz DLEDKAPKIVQYPR-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186710939 790449695 /nfs/dbraw/zinc/44/96/95/790449695.db2.gz MRNDDNAKPTXMEC-LLVKDONJSA-N 1 0 345.425 -1.902 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCc2ncnn2C)C1 ZINC001186717578 790449755 /nfs/dbraw/zinc/44/97/55/790449755.db2.gz LJIJJKHSCZVHEH-GFCCVEGCSA-N 1 0 336.396 -1.176 20 30 EAEDRO Cn1ncnc1COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186717810 790452102 /nfs/dbraw/zinc/45/21/02/790452102.db2.gz MQZVHPNKIOQXQS-LLVKDONJSA-N 1 0 335.368 -1.838 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186717884 790452519 /nfs/dbraw/zinc/45/25/19/790452519.db2.gz PLZXENGZCCHGGR-CHWSQXEVSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001186717885 790451895 /nfs/dbraw/zinc/45/18/95/790451895.db2.gz PLZXENGZCCHGGR-QWHCGFSZSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001186790748 790452820 /nfs/dbraw/zinc/45/28/20/790452820.db2.gz NVXOEOYFLPFCEM-LLVKDONJSA-N 1 0 349.391 -1.743 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186803058 790452316 /nfs/dbraw/zinc/45/23/16/790452316.db2.gz ICPWASYGOSIMQH-RWMBFGLXSA-N 1 0 335.408 -1.026 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186803059 790452592 /nfs/dbraw/zinc/45/25/92/790452592.db2.gz ICPWASYGOSIMQH-YNEHKIRRSA-N 1 0 335.408 -1.026 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186841701 790454708 /nfs/dbraw/zinc/45/47/08/790454708.db2.gz CCDQXPAOZAXPFL-LLVKDONJSA-N 1 0 335.364 -2.132 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843339 790454252 /nfs/dbraw/zinc/45/42/52/790454252.db2.gz UHAJYRGGXKUISA-LLVKDONJSA-N 1 0 337.380 -1.579 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001186843394 790454412 /nfs/dbraw/zinc/45/44/12/790454412.db2.gz XYMTVTKKEVVEMS-SNVBAGLBSA-N 1 0 336.352 -2.241 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2cscn2)C1 ZINC001186862500 790457140 /nfs/dbraw/zinc/45/71/40/790457140.db2.gz YJEKOSLYCQETFH-LLVKDONJSA-N 1 0 349.416 -1.187 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001186870938 790454679 /nfs/dbraw/zinc/45/46/79/790454679.db2.gz OJWFNBCFMCUQJC-NEPJUHHUSA-N 1 0 347.379 -1.317 20 30 EAEDRO 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345.407 -1.021 20 30 EAEDRO Cc1nnc2n1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001188052481 790500130 /nfs/dbraw/zinc/50/01/30/790500130.db2.gz FPMCZMPVFVNNQY-QWHCGFSZSA-N 1 0 345.407 -1.021 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001188053515 790499197 /nfs/dbraw/zinc/49/91/97/790499197.db2.gz SFRIAOSWOWENKI-CYBMUJFWSA-N 1 0 343.387 -1.249 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001188053866 790500662 /nfs/dbraw/zinc/50/06/62/790500662.db2.gz ZKPQVMBPNREZMT-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001188063713 790501539 /nfs/dbraw/zinc/50/15/39/790501539.db2.gz BFZMRYUUJOHOJR-NWDGAFQWSA-N 1 0 331.380 -1.329 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001188063720 790502012 /nfs/dbraw/zinc/50/20/12/790502012.db2.gz BFZMRYUUJOHOJR-VXGBXAGGSA-N 1 0 331.380 -1.329 20 30 EAEDRO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001188064573 790502673 /nfs/dbraw/zinc/50/26/73/790502673.db2.gz WIPCKNBLXAEVEP-LLVKDONJSA-N 1 0 345.425 -1.902 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001188064608 790502497 /nfs/dbraw/zinc/50/24/97/790502497.db2.gz YDCGYXQQOBNODL-GFCCVEGCSA-N 1 0 344.437 -1.792 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001188073151 790501485 /nfs/dbraw/zinc/50/14/85/790501485.db2.gz RINGTJHDBWBXPZ-CHWSQXEVSA-N 1 0 330.392 -1.220 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001188073152 790502385 /nfs/dbraw/zinc/50/23/85/790502385.db2.gz RINGTJHDBWBXPZ-QWHCGFSZSA-N 1 0 330.392 -1.220 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001188073153 790502151 /nfs/dbraw/zinc/50/21/51/790502151.db2.gz RIWVIAJEEXAESO-GFCCVEGCSA-N 1 0 344.375 -1.358 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188099110 790502831 /nfs/dbraw/zinc/50/28/31/790502831.db2.gz GYBSKOHGRMRTRB-CYBMUJFWSA-N 1 0 334.380 -1.765 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188099119 790503687 /nfs/dbraw/zinc/50/36/87/790503687.db2.gz HIKNJDGXBKFNRJ-LLVKDONJSA-N 1 0 348.367 -2.775 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188099171 790505647 /nfs/dbraw/zinc/50/56/47/790505647.db2.gz JJDIYIPRBAMFNJ-GFCCVEGCSA-N 1 0 349.395 -2.113 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100475 790505661 /nfs/dbraw/zinc/50/56/61/790505661.db2.gz UBXFHIXBOSCAJX-GFCCVEGCSA-N 1 0 347.379 -2.666 20 30 EAEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100530 790505372 /nfs/dbraw/zinc/50/53/72/790505372.db2.gz VLUBBWAYGKBDFW-CYBMUJFWSA-N 1 0 336.396 -1.213 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001188125011 790506689 /nfs/dbraw/zinc/50/66/89/790506689.db2.gz IJGSUFZVTZPQHM-CYBMUJFWSA-N 1 0 348.407 -1.180 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125023 790508020 /nfs/dbraw/zinc/50/80/20/790508020.db2.gz IZBDERRANKEDDJ-SNVBAGLBSA-N 1 0 333.352 -2.683 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125437 790508042 /nfs/dbraw/zinc/50/80/42/790508042.db2.gz KJMARVWSIIQVQI-GHMZBOCLSA-N 1 0 349.395 -1.742 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125438 790506149 /nfs/dbraw/zinc/50/61/49/790506149.db2.gz KJMARVWSIIQVQI-WDEREUQCSA-N 1 0 349.395 -1.742 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125698 790506766 /nfs/dbraw/zinc/50/67/66/790506766.db2.gz PMLGGULWSZGRAQ-SECBINFHSA-N 1 0 334.340 -2.793 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188126200 790507777 /nfs/dbraw/zinc/50/77/77/790507777.db2.gz SYDCQZNXXXEVQJ-GHMZBOCLSA-N 1 0 347.379 -2.295 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 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C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2CC)CCCO1 ZINC001200428491 791323784 /nfs/dbraw/zinc/32/37/84/791323784.db2.gz KDFAYXQJHDAJTA-CYBMUJFWSA-N 1 0 348.407 -1.132 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cnnn2CC)CCCO1 ZINC001200428492 791324083 /nfs/dbraw/zinc/32/40/83/791324083.db2.gz KDFAYXQJHDAJTA-ZDUSSCGKSA-N 1 0 348.407 -1.132 20 30 EAEDRO CCn1nncc1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200429007 791323700 /nfs/dbraw/zinc/32/37/00/791323700.db2.gz OXVKJRBNIYXJHE-GFCCVEGCSA-N 1 0 349.395 -1.242 20 30 EAEDRO CCn1nncc1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200429008 791324758 /nfs/dbraw/zinc/32/47/58/791324758.db2.gz OXVKJRBNIYXJHE-LBPRGKRZSA-N 1 0 349.395 -1.242 20 30 EAEDRO CCn1ncc(C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001200429705 791324597 /nfs/dbraw/zinc/32/45/97/791324597.db2.gz VTMNPHHVGFTXMN-GFCCVEGCSA-N 1 0 349.395 -1.242 20 30 EAEDRO CCn1ncc(C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001200429706 791323889 /nfs/dbraw/zinc/32/38/89/791323889.db2.gz VTMNPHHVGFTXMN-LBPRGKRZSA-N 1 0 349.395 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200434735 791323710 /nfs/dbraw/zinc/32/37/10/791323710.db2.gz ASQSFPGEMLLNEC-GFCCVEGCSA-N 1 0 334.380 -1.615 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200434736 791324934 /nfs/dbraw/zinc/32/49/34/791324934.db2.gz ASQSFPGEMLLNEC-LBPRGKRZSA-N 1 0 334.380 -1.615 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200437705 791322085 /nfs/dbraw/zinc/32/20/85/791322085.db2.gz ZJCIVHXMQQIFRU-CHWSQXEVSA-N 1 0 348.407 -1.226 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200437706 791322219 /nfs/dbraw/zinc/32/22/19/791322219.db2.gz ZJCIVHXMQQIFRU-OLZOCXBDSA-N 1 0 348.407 -1.226 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200437707 791323224 /nfs/dbraw/zinc/32/32/24/791323224.db2.gz ZJCIVHXMQQIFRU-QWHCGFSZSA-N 1 0 348.407 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ZINC001200469195 791326313 /nfs/dbraw/zinc/32/63/13/791326313.db2.gz FNYYROIOMIKBTM-HNNXBMFYSA-N 1 0 347.419 -1.081 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CCCO1 ZINC001200469196 791325693 /nfs/dbraw/zinc/32/56/93/791325693.db2.gz FNYYROIOMIKBTM-OAHLLOKOSA-N 1 0 347.419 -1.081 20 30 EAEDRO Cn1ccc(CC(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001200470468 791325941 /nfs/dbraw/zinc/32/59/41/791325941.db2.gz ZPTKCCKLEXTHQE-AWEZNQCLSA-N 1 0 348.407 -1.191 20 30 EAEDRO Cn1ccc(CC(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001200470469 791326089 /nfs/dbraw/zinc/32/60/89/791326089.db2.gz ZPTKCCKLEXTHQE-CQSZACIVSA-N 1 0 348.407 -1.191 20 30 EAEDRO C#CCOCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200477724 791326180 /nfs/dbraw/zinc/32/61/80/791326180.db2.gz DDLLDOIEJODCHL-GFCCVEGCSA-N 1 0 340.380 -1.572 20 30 EAEDRO C#CCOCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200477725 791326303 /nfs/dbraw/zinc/32/63/03/791326303.db2.gz DDLLDOIEJODCHL-LBPRGKRZSA-N 1 0 340.380 -1.572 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200478361 791326328 /nfs/dbraw/zinc/32/63/28/791326328.db2.gz IOXSCHOBJDGDLZ-KBPBESRZSA-N 1 0 336.392 -1.128 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200478363 791326499 /nfs/dbraw/zinc/32/64/99/791326499.db2.gz IOXSCHOBJDGDLZ-KGLIPLIRSA-N 1 0 336.392 -1.128 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200478365 791325725 /nfs/dbraw/zinc/32/57/25/791325725.db2.gz IOXSCHOBJDGDLZ-UONOGXRCSA-N 1 0 336.392 -1.128 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200478367 791325955 /nfs/dbraw/zinc/32/59/55/791325955.db2.gz IOXSCHOBJDGDLZ-ZIAGYGMSSA-N 1 0 336.392 -1.128 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)OCC#C)CCCO1 ZINC001200478956 791325297 /nfs/dbraw/zinc/32/52/97/791325297.db2.gz MPTPFIKRANLSTD-CABCVRRESA-N 1 0 335.404 -1.019 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)OCC#C)CCCO1 ZINC001200478972 791326123 /nfs/dbraw/zinc/32/61/23/791326123.db2.gz MPTPFIKRANLSTD-GJZGRUSLSA-N 1 0 335.404 -1.019 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCC#C)CCCO1 ZINC001200478976 791326396 /nfs/dbraw/zinc/32/63/96/791326396.db2.gz MPTPFIKRANLSTD-HUUCEWRRSA-N 1 0 335.404 -1.019 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OCC#C)CCCO1 ZINC001200478981 791326109 /nfs/dbraw/zinc/32/61/09/791326109.db2.gz MPTPFIKRANLSTD-LSDHHAIUSA-N 1 0 335.404 -1.019 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCOCC#C)CCCO1 ZINC001200479269 791326028 /nfs/dbraw/zinc/32/60/28/791326028.db2.gz PKEYMUMCNGEKAB-HNNXBMFYSA-N 1 0 335.404 -1.017 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCOCC#C)CCCO1 ZINC001200479270 791325899 /nfs/dbraw/zinc/32/58/99/791325899.db2.gz PKEYMUMCNGEKAB-OAHLLOKOSA-N 1 0 335.404 -1.017 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200479340 791326277 /nfs/dbraw/zinc/32/62/77/791326277.db2.gz QGZYZIGCMNKOJN-NEPJUHHUSA-N 1 0 340.380 -1.573 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200479341 791326672 /nfs/dbraw/zinc/32/66/72/791326672.db2.gz QGZYZIGCMNKOJN-NWDGAFQWSA-N 1 0 340.380 -1.573 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200479342 791326100 /nfs/dbraw/zinc/32/61/00/791326100.db2.gz QGZYZIGCMNKOJN-RYUDHWBXSA-N 1 0 340.380 -1.573 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200479343 791326719 /nfs/dbraw/zinc/32/67/19/791326719.db2.gz QGZYZIGCMNKOJN-VXGBXAGGSA-N 1 0 340.380 -1.573 20 30 EAEDRO COCCn1cc(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)nn1 ZINC001200483549 791324912 /nfs/dbraw/zinc/32/49/12/791324912.db2.gz QKSHADKGDHSTIZ-UHFFFAOYSA-N 1 0 349.395 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)c2cn(CCOC)nn2)CC1 ZINC001200483901 791324961 /nfs/dbraw/zinc/32/49/61/791324961.db2.gz VWYWALGECXFGNU-UHFFFAOYSA-N 1 0 348.407 -1.132 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CCCO1 ZINC001200490014 791324285 /nfs/dbraw/zinc/32/42/85/791324285.db2.gz NPVVJQFRLZJNTM-CYBMUJFWSA-N 1 0 346.453 -1.435 20 30 EAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CCCO1 ZINC001200490022 791324613 /nfs/dbraw/zinc/32/46/13/791324613.db2.gz NPVVJQFRLZJNTM-ZDUSSCGKSA-N 1 0 346.453 -1.435 20 30 EAEDRO C#CCOCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200501064 791325877 /nfs/dbraw/zinc/32/58/77/791325877.db2.gz NMVDCOBPVDENTM-AWEZNQCLSA-N 1 0 336.392 -1.127 20 30 EAEDRO C#CCOCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200501065 791326572 /nfs/dbraw/zinc/32/65/72/791326572.db2.gz NMVDCOBPVDENTM-CQSZACIVSA-N 1 0 336.392 -1.127 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200519467 791327442 /nfs/dbraw/zinc/32/74/42/791327442.db2.gz FXAVEHQABMYFDH-LLVKDONJSA-N 1 0 336.356 -2.480 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200519468 791327794 /nfs/dbraw/zinc/32/77/94/791327794.db2.gz FXAVEHQABMYFDH-NSHDSACASA-N 1 0 336.356 -2.480 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520086 791328774 /nfs/dbraw/zinc/32/87/74/791328774.db2.gz OSIDTHNXYFWNAN-GFCCVEGCSA-N 1 0 337.384 -1.818 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520087 791329043 /nfs/dbraw/zinc/32/90/43/791329043.db2.gz OSIDTHNXYFWNAN-LBPRGKRZSA-N 1 0 337.384 -1.818 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520230 791329451 /nfs/dbraw/zinc/32/94/51/791329451.db2.gz QZXWYDQBTLIXCS-CHWSQXEVSA-N 1 0 349.395 -1.982 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520232 791328484 /nfs/dbraw/zinc/32/84/84/791328484.db2.gz QZXWYDQBTLIXCS-OLZOCXBDSA-N 1 0 349.395 -1.982 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520239 791329240 /nfs/dbraw/zinc/32/92/40/791329240.db2.gz QZXWYDQBTLIXCS-QWHCGFSZSA-N 1 0 349.395 -1.982 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520240 791328706 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COCC#CC[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202813210 793033013 /nfs/dbraw/zinc/03/30/13/793033013.db2.gz UNIYZQIGBNNKNW-AWEZNQCLSA-N 1 0 338.408 -1.403 20 30 EAEDRO C=CCn1cc(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)nn1 ZINC001202826846 793033634 /nfs/dbraw/zinc/03/36/34/793033634.db2.gz METFYPHNSPYLEQ-UHFFFAOYSA-N 1 0 335.368 -1.147 20 30 EAEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202918951 793035485 /nfs/dbraw/zinc/03/54/85/793035485.db2.gz ODNPHHQZGIMFKR-UHFFFAOYSA-N 1 0 336.392 -1.078 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202919395 793035394 /nfs/dbraw/zinc/03/53/94/793035394.db2.gz TUVHFLJTPWWYCU-UHFFFAOYSA-N 1 0 335.364 -1.740 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921171 793035204 /nfs/dbraw/zinc/03/52/04/793035204.db2.gz RIGREABAELYEDE-NEPJUHHUSA-N 1 0 331.380 -1.561 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921177 793036002 /nfs/dbraw/zinc/03/60/02/793036002.db2.gz RIGREABAELYEDE-NWDGAFQWSA-N 1 0 331.380 -1.561 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921178 793035444 /nfs/dbraw/zinc/03/54/44/793035444.db2.gz RIGREABAELYEDE-RYUDHWBXSA-N 1 0 331.380 -1.561 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202921181 793035648 /nfs/dbraw/zinc/03/56/48/793035648.db2.gz RIGREABAELYEDE-VXGBXAGGSA-N 1 0 331.380 -1.561 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926231 793036070 /nfs/dbraw/zinc/03/60/70/793036070.db2.gz SOAZRTMMTDPKQY-LLVKDONJSA-N 1 0 348.403 -1.242 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926236 793035165 /nfs/dbraw/zinc/03/51/65/793035165.db2.gz SOAZRTMMTDPKQY-NSHDSACASA-N 1 0 348.403 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001202926648 793035592 /nfs/dbraw/zinc/03/55/92/793035592.db2.gz YZLZFGZXKCAOJT-UHFFFAOYSA-N 1 0 334.376 -1.631 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202928199 793035605 /nfs/dbraw/zinc/03/56/05/793035605.db2.gz DPAHSVRNTZHEMN-NEPJUHHUSA-N 1 0 333.396 -1.008 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202928200 793035660 /nfs/dbraw/zinc/03/56/60/793035660.db2.gz DPAHSVRNTZHEMN-NWDGAFQWSA-N 1 0 333.396 -1.008 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202928201 793035725 /nfs/dbraw/zinc/03/57/25/793035725.db2.gz DPAHSVRNTZHEMN-RYUDHWBXSA-N 1 0 333.396 -1.008 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202928202 793035878 /nfs/dbraw/zinc/03/58/78/793035878.db2.gz DPAHSVRNTZHEMN-VXGBXAGGSA-N 1 0 333.396 -1.008 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202929306 793036272 /nfs/dbraw/zinc/03/62/72/793036272.db2.gz MTPIUDMNFCIRCL-GHMZBOCLSA-N 1 0 332.368 -1.670 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202929307 793035141 /nfs/dbraw/zinc/03/51/41/793035141.db2.gz MTPIUDMNFCIRCL-MNOVXSKESA-N 1 0 332.368 -1.670 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202929308 793036059 /nfs/dbraw/zinc/03/60/59/793036059.db2.gz MTPIUDMNFCIRCL-QWRGUYRKSA-N 1 0 332.368 -1.670 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 ZINC001202929311 793035553 /nfs/dbraw/zinc/03/55/53/793035553.db2.gz MTPIUDMNFCIRCL-WDEREUQCSA-N 1 0 332.368 -1.670 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)CCN2CCOCC2)CC1 ZINC001202947141 793037355 /nfs/dbraw/zinc/03/73/55/793037355.db2.gz GTMGGQYIUMUDCL-UHFFFAOYSA-N 1 0 337.424 -1.071 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967128 793037390 /nfs/dbraw/zinc/03/73/90/793037390.db2.gz JFJKOECZTYWUJR-UHFFFAOYSA-N 1 0 336.352 -2.241 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967160 793037295 /nfs/dbraw/zinc/03/72/95/793037295.db2.gz KUISJVJNXAKBFE-UHFFFAOYSA-N 1 0 335.364 -2.132 20 30 EAEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202967340 793038132 /nfs/dbraw/zinc/03/81/32/793038132.db2.gz UOPVOKCNWMZAEA-UHFFFAOYSA-N 1 0 337.380 -1.579 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202967449 793039417 /nfs/dbraw/zinc/03/94/17/793039417.db2.gz AAGFSBVOLACRJI-NEPJUHHUSA-N 1 0 331.380 -1.065 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202967450 793038568 /nfs/dbraw/zinc/03/85/68/793038568.db2.gz AAGFSBVOLACRJI-NWDGAFQWSA-N 1 0 331.380 -1.065 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202967451 793039220 /nfs/dbraw/zinc/03/92/20/793039220.db2.gz AAGFSBVOLACRJI-RYUDHWBXSA-N 1 0 331.380 -1.065 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 ZINC001202967452 793038345 /nfs/dbraw/zinc/03/83/45/793038345.db2.gz AAGFSBVOLACRJI-VXGBXAGGSA-N 1 0 331.380 -1.065 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202978338 793038441 /nfs/dbraw/zinc/03/84/41/793038441.db2.gz QYMUMPHBHKDYMF-LLVKDONJSA-N 1 0 349.391 -1.743 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001202978340 793039050 /nfs/dbraw/zinc/03/90/50/793039050.db2.gz QYMUMPHBHKDYMF-NSHDSACASA-N 1 0 349.391 -1.743 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001202998512 793040339 /nfs/dbraw/zinc/04/03/39/793040339.db2.gz AMJGHHZBFKYJBR-UHFFFAOYSA-N 1 0 342.363 -1.042 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CNC(=O)NC)C12CCC2 ZINC001203003507 793039954 /nfs/dbraw/zinc/03/99/54/793039954.db2.gz BFLYSAINHRDMDY-NEPJUHHUSA-N 1 0 335.408 -1.318 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)NC)C12CCC2 ZINC001203003515 793040107 /nfs/dbraw/zinc/04/01/07/793040107.db2.gz BFLYSAINHRDMDY-NWDGAFQWSA-N 1 0 335.408 -1.318 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)NC)C12CCC2 ZINC001203003517 793040021 /nfs/dbraw/zinc/04/00/21/793040021.db2.gz BFLYSAINHRDMDY-RYUDHWBXSA-N 1 0 335.408 -1.318 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CNC(=O)NC)C12CCC2 ZINC001203003518 793040702 /nfs/dbraw/zinc/04/07/02/793040702.db2.gz BFLYSAINHRDMDY-VXGBXAGGSA-N 1 0 335.408 -1.318 20 30 EAEDRO CNC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203003818 793040650 /nfs/dbraw/zinc/04/06/50/793040650.db2.gz DHDAVOCATSUWTI-GHMZBOCLSA-N 1 0 336.396 -1.428 20 30 EAEDRO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203003826 793039706 /nfs/dbraw/zinc/03/97/06/793039706.db2.gz DHDAVOCATSUWTI-MNOVXSKESA-N 1 0 336.396 -1.428 20 30 EAEDRO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203003827 793040814 /nfs/dbraw/zinc/04/08/14/793040814.db2.gz DHDAVOCATSUWTI-QWRGUYRKSA-N 1 0 336.396 -1.428 20 30 EAEDRO CNC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203003828 793039879 /nfs/dbraw/zinc/03/98/79/793039879.db2.gz DHDAVOCATSUWTI-WDEREUQCSA-N 1 0 336.396 -1.428 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001203046996 793042380 /nfs/dbraw/zinc/04/23/80/793042380.db2.gz ODNMGCTWDWKVMB-GFCCVEGCSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001203046997 793041523 /nfs/dbraw/zinc/04/15/23/793041523.db2.gz ODNMGCTWDWKVMB-LBPRGKRZSA-N 1 0 333.396 -1.218 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001203063803 793041971 /nfs/dbraw/zinc/04/19/71/793041971.db2.gz COWGDAVFPUJPNJ-UHFFFAOYSA-N 1 0 332.364 -1.052 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 ZINC001203085565 793041800 /nfs/dbraw/zinc/04/18/00/793041800.db2.gz NBVKCISRWAHICW-UHFFFAOYSA-N 1 0 348.325 -1.005 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001203118926 793047621 /nfs/dbraw/zinc/04/76/21/793047621.db2.gz BREXAWGUXZDRNU-UHFFFAOYSA-N 1 0 345.403 -1.037 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 ZINC001203120454 793049294 /nfs/dbraw/zinc/04/92/94/793049294.db2.gz VKZISNMRDGGXBG-UHFFFAOYSA-N 1 0 349.313 -1.115 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001203126601 793052257 /nfs/dbraw/zinc/05/22/57/793052257.db2.gz SMGDQZHLAONTLG-UHFFFAOYSA-N 1 0 346.391 -1.146 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)COCc2nncn2C)CC1 ZINC001203142921 785148740 /nfs/dbraw/zinc/14/87/40/785148740.db2.gz FVULSXAZNJYXQF-UHFFFAOYSA-N 1 0 348.407 -1.338 20 30 EAEDRO Cn1cnnc1COCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203143237 785157974 /nfs/dbraw/zinc/15/79/74/785157974.db2.gz LIPUJXFSSPYMMV-UHFFFAOYSA-N 1 0 349.395 -1.448 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)COCc2ncnn2C)CC1 ZINC001203153384 785104645 /nfs/dbraw/zinc/10/46/45/785104645.db2.gz OCTKILJTWQXEDX-UHFFFAOYSA-N 1 0 348.407 -1.338 20 30 EAEDRO Cn1ncnc1COCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203154234 785117428 /nfs/dbraw/zinc/11/74/28/785117428.db2.gz XNAWQXLROXMJDN-UHFFFAOYSA-N 1 0 349.395 -1.448 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001203213696 785777952 /nfs/dbraw/zinc/77/79/52/785777952.db2.gz FAWFBYHIYZLION-UHFFFAOYSA-N 1 0 349.391 -1.742 20 30 EAEDRO C#CCC[NH2+]C1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001203254754 787818628 /nfs/dbraw/zinc/81/86/28/787818628.db2.gz AQJUMJAKOKVYEY-LBPRGKRZSA-N 1 0 333.396 -1.218 20 30 EAEDRO CC#CC[NH2+]C1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001203254807 787819557 /nfs/dbraw/zinc/81/95/57/787819557.db2.gz BLRUJEGTLVRDSC-LBPRGKRZSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)C12CCC2 ZINC001203255507 787822632 /nfs/dbraw/zinc/82/26/32/787822632.db2.gz BZKYSYBOJIQCBA-GHMZBOCLSA-N 1 0 331.380 -1.410 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2nnn(C)n2)C12CCC2 ZINC001203255512 787822356 /nfs/dbraw/zinc/82/23/56/787822356.db2.gz BZKYSYBOJIQCBA-MNOVXSKESA-N 1 0 331.380 -1.410 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C12CCC2 ZINC001203255513 787822671 /nfs/dbraw/zinc/82/26/71/787822671.db2.gz BZKYSYBOJIQCBA-QWRGUYRKSA-N 1 0 331.380 -1.410 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C12CCC2 ZINC001203255514 787822187 /nfs/dbraw/zinc/82/21/87/787822187.db2.gz BZKYSYBOJIQCBA-WDEREUQCSA-N 1 0 331.380 -1.410 20 30 EAEDRO Cn1nnc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C23CCC3)n1 ZINC001203263896 789676231 /nfs/dbraw/zinc/67/62/31/789676231.db2.gz FWJIPLIMLDGFFF-NXEZZACHSA-N 1 0 332.368 -1.520 20 30 EAEDRO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C23CCC3)n1 ZINC001203263899 789675190 /nfs/dbraw/zinc/67/51/90/789675190.db2.gz FWJIPLIMLDGFFF-UWVGGRQHSA-N 1 0 332.368 -1.520 20 30 EAEDRO Cn1nnc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NCC#N)C23CCC3)n1 ZINC001203263900 789675381 /nfs/dbraw/zinc/67/53/81/789675381.db2.gz FWJIPLIMLDGFFF-VHSXEESVSA-N 1 0 332.368 -1.520 20 30 EAEDRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C23CCC3)n1 ZINC001203263913 789675596 /nfs/dbraw/zinc/67/55/96/789675596.db2.gz FWJIPLIMLDGFFF-ZJUUUORDSA-N 1 0 332.368 -1.520 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001203277437 790462058 /nfs/dbraw/zinc/46/20/58/790462058.db2.gz FDHSYWNMBLYPRT-UHFFFAOYSA-N 1 0 349.395 -1.060 20 30 EAEDRO C#CCC[NH2+]C1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001203294822 790784007 /nfs/dbraw/zinc/78/40/07/790784007.db2.gz AQJUMJAKOKVYEY-GFCCVEGCSA-N 1 0 333.396 -1.218 20 30 EAEDRO CC#CC[NH2+]C1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001203294851 790790476 /nfs/dbraw/zinc/79/04/76/790790476.db2.gz BLRUJEGTLVRDSC-GFCCVEGCSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001203317832 793690845 /nfs/dbraw/zinc/69/08/45/793690845.db2.gz GBIVYMZYUZQVIS-UHFFFAOYSA-N 1 0 349.391 -1.790 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325308 793690144 /nfs/dbraw/zinc/69/01/44/793690144.db2.gz LTKNCIFQKBYIDQ-NXEZZACHSA-N 1 0 337.380 -1.500 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325309 793690777 /nfs/dbraw/zinc/69/07/77/793690777.db2.gz 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20 30 EAEDRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215685508 793959525 /nfs/dbraw/zinc/95/95/25/793959525.db2.gz RSILLUDTCGNAKU-OUAUKWLOSA-N 1 0 345.425 -2.000 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686015 793960109 /nfs/dbraw/zinc/96/01/09/793960109.db2.gz YHCUESXBXLYAOI-GRYCIOLGSA-N 1 0 344.437 -1.890 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215686019 793961694 /nfs/dbraw/zinc/96/16/94/793961694.db2.gz YHCUESXBXLYAOI-IJLUTSLNSA-N 1 0 344.437 -1.890 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001215693374 793961311 /nfs/dbraw/zinc/96/13/11/793961311.db2.gz LECAVLIQUDPGMN-OUAUKWLOSA-N 1 0 337.380 -1.677 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001215693382 793961761 /nfs/dbraw/zinc/96/17/61/793961761.db2.gz LOJXHTMCSHMTEE-OUAUKWLOSA-N 1 0 335.364 -2.230 20 30 EAEDRO 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1 0 328.380 -1.426 20 30 EAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c1N ZINC001218595876 794016508 /nfs/dbraw/zinc/01/65/08/794016508.db2.gz CJOYZRBETDISQC-FCHSOHFDSA-N 1 0 328.380 -1.156 20 30 EAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001218596590 794016693 /nfs/dbraw/zinc/01/66/93/794016693.db2.gz JUEMNCQFJJLVCA-NSHDSACASA-N 1 0 341.379 -1.074 20 30 EAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c1N ZINC001218596722 794016154 /nfs/dbraw/zinc/01/61/54/794016154.db2.gz LRPUGLIERPQHOD-JTQLQIEISA-N 1 0 327.352 -1.084 20 30 EAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c1N ZINC001218596723 794016360 /nfs/dbraw/zinc/01/63/60/794016360.db2.gz LRPUGLIERPQHOD-SNVBAGLBSA-N 1 0 327.352 -1.084 20 30 EAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c1N ZINC001218596756 794016772 /nfs/dbraw/zinc/01/67/72/794016772.db2.gz MRGZBWADHPKOIJ-BKDNQFJXSA-N 1 0 328.380 -1.428 20 30 EAEDRO 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C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001220734013 794350675 /nfs/dbraw/zinc/35/06/75/794350675.db2.gz VLQSOFABGJHUSX-UTUOFQBUSA-N 1 0 337.384 -2.085 20 30 EAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752950 794353322 /nfs/dbraw/zinc/35/33/22/794353322.db2.gz WNPKXZVTMYQUBI-NEPJUHHUSA-N 1 0 340.380 -1.756 20 30 EAEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764208 794355267 /nfs/dbraw/zinc/35/52/67/794355267.db2.gz CMYHEBCNVWVPIV-MCIONIFRSA-N 1 0 342.440 -1.583 20 30 EAEDRO C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764209 794354053 /nfs/dbraw/zinc/35/40/53/794354053.db2.gz CMYHEBCNVWVPIV-MJBXVCDLSA-N 1 0 342.440 -1.583 20 30 EAEDRO C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764822 794354835 /nfs/dbraw/zinc/35/48/35/794354835.db2.gz XZGCEKRRUBLIHN-MCIONIFRSA-N 1 0 340.424 -2.136 20 30 EAEDRO 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794684681 /nfs/dbraw/zinc/68/46/81/794684681.db2.gz HTIBAYNVFQAHMI-YJNKXOJESA-N 1 0 326.393 -1.009 20 30 EAEDRO C#CCOC[C@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001251843328 794684918 /nfs/dbraw/zinc/68/49/18/794684918.db2.gz JFRHGQVVLAWWDI-CVEARBPZSA-N 1 0 326.393 -1.053 20 30 EAEDRO C#CCOC[C@@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001251843330 794684616 /nfs/dbraw/zinc/68/46/16/794684616.db2.gz JFRHGQVVLAWWDI-HOTGVXAUSA-N 1 0 326.393 -1.053 20 30 EAEDRO C#CCOC[C@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001251843331 794684352 /nfs/dbraw/zinc/68/43/52/794684352.db2.gz JFRHGQVVLAWWDI-HZPDHXFCSA-N 1 0 326.393 -1.053 20 30 EAEDRO C#CCOC[C@@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001251843333 794684571 /nfs/dbraw/zinc/68/45/71/794684571.db2.gz JFRHGQVVLAWWDI-JKSUJKDBSA-N 1 0 326.393 -1.053 20 30 EAEDRO C#CCOC[C@H](O)C[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001251860892 794686114 /nfs/dbraw/zinc/68/61/14/794686114.db2.gz WMVRPXYSZJKNMV-CABCVRRESA-N 1 0 337.420 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C#CCOC[C@@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001251906997 794685486 /nfs/dbraw/zinc/68/54/86/794685486.db2.gz SJFYUYXUVSIXDW-GJZGRUSLSA-N 1 0 333.388 -1.201 20 30 EAEDRO C=CCOC[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252491241 794689892 /nfs/dbraw/zinc/68/98/92/794689892.db2.gz HBOPQUIFNGEVIT-GFCCVEGCSA-N 1 0 340.380 -1.473 20 30 EAEDRO C=CCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001252491250 794690164 /nfs/dbraw/zinc/69/01/64/794690164.db2.gz HBOPQUIFNGEVIT-LBPRGKRZSA-N 1 0 340.380 -1.473 20 30 EAEDRO C=CCOC[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001252494064 794690720 /nfs/dbraw/zinc/69/07/20/794690720.db2.gz WDZLZLJDDVOENB-LLVKDONJSA-N 1 0 331.369 -2.065 20 30 EAEDRO C=CCOC[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001252494069 794690449 /nfs/dbraw/zinc/69/04/49/794690449.db2.gz WDZLZLJDDVOENB-NSHDSACASA-N 1 0 331.369 -2.065 20 30 EAEDRO C=CCOC[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001252499056 794690934 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C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001265934262 794881979 /nfs/dbraw/zinc/88/19/79/794881979.db2.gz LHRZNBWPDOCWRY-NSHDSACASA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001265934555 794881348 /nfs/dbraw/zinc/88/13/48/794881348.db2.gz SCTXMIMPBCNCJG-JTQLQIEISA-N 1 0 335.368 -1.369 20 30 EAEDRO Cc1cc(C)n(CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)c(=O)n1 ZINC001265936535 794882377 /nfs/dbraw/zinc/88/23/77/794882377.db2.gz XJTHWGCEMXJIRE-ZDUSSCGKSA-N 1 0 346.391 -1.310 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001265936543 794881579 /nfs/dbraw/zinc/88/15/79/794881579.db2.gz XRNLKPXUVNFLPJ-JTQLQIEISA-N 1 0 328.336 -1.432 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001265938477 794881643 /nfs/dbraw/zinc/88/16/43/794881643.db2.gz XYMTVTKKEVVEMS-JTQLQIEISA-N 1 0 336.352 -2.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001265940103 794881221 /nfs/dbraw/zinc/88/12/21/794881221.db2.gz KLFQILZDNSOIHU-NSHDSACASA-N 1 0 337.380 -1.627 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001265945259 794881297 /nfs/dbraw/zinc/88/12/97/794881297.db2.gz FCUZTIQJOROASR-NEPJUHHUSA-N 1 0 349.391 -1.791 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001265945260 794882122 /nfs/dbraw/zinc/88/21/22/794882122.db2.gz FCUZTIQJOROASR-RYUDHWBXSA-N 1 0 349.391 -1.791 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001265945282 794881661 /nfs/dbraw/zinc/88/16/61/794881661.db2.gz GISIHZCKEOEIDX-JTQLQIEISA-N 1 0 335.364 -1.408 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001265945388 794882441 /nfs/dbraw/zinc/88/24/41/794882441.db2.gz LDYSERKVVIDMCG-MNOVXSKESA-N 1 0 344.375 -1.483 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001265945389 794881993 /nfs/dbraw/zinc/88/19/93/794881993.db2.gz LDYSERKVVIDMCG-QWRGUYRKSA-N 1 0 344.375 -1.483 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001265945465 794881881 /nfs/dbraw/zinc/88/18/81/794881881.db2.gz OTCPQZZWYHCUDO-JTQLQIEISA-N 1 0 330.348 -1.871 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001265945501 794882691 /nfs/dbraw/zinc/88/26/91/794882691.db2.gz QDXBHCLPPZSPGC-MNOVXSKESA-N 1 0 337.380 -1.581 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001265945502 794881828 /nfs/dbraw/zinc/88/18/28/794881828.db2.gz QDXBHCLPPZSPGC-QWRGUYRKSA-N 1 0 337.380 -1.581 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001265947248 794882317 /nfs/dbraw/zinc/88/23/17/794882317.db2.gz BFZMRYUUJOHOJR-NEPJUHHUSA-N 1 0 331.380 -1.329 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001265947249 794882005 /nfs/dbraw/zinc/88/20/05/794882005.db2.gz BFZMRYUUJOHOJR-RYUDHWBXSA-N 1 0 331.380 -1.329 20 30 EAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001265971757 794883050 /nfs/dbraw/zinc/88/30/50/794883050.db2.gz ZJJFZBBWLWCXCX-UHFFFAOYSA-N 1 0 335.364 -1.713 20 30 EAEDRO COCCn1cc(C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)nn1 ZINC001265976301 794883958 /nfs/dbraw/zinc/88/39/58/794883958.db2.gz JDICOIWJOTWMKC-GFCCVEGCSA-N 1 0 349.395 -1.384 20 30 EAEDRO COCCn1cc(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)nn1 ZINC001265976304 794883148 /nfs/dbraw/zinc/88/31/48/794883148.db2.gz JDICOIWJOTWMKC-LBPRGKRZSA-N 1 0 349.395 -1.384 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001265977164 794883889 /nfs/dbraw/zinc/88/38/89/794883889.db2.gz VCDCPCGFILVIHP-LLVKDONJSA-N 1 0 345.425 -1.996 20 30 EAEDRO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001265977165 794884317 /nfs/dbraw/zinc/88/43/17/794884317.db2.gz VCDCPCGFILVIHP-NSHDSACASA-N 1 0 345.425 -1.996 20 30 EAEDRO CS(=O)(=O)NCCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001265984006 794883317 /nfs/dbraw/zinc/88/33/17/794883317.db2.gz ZRUUDSUHFTTWLU-LLVKDONJSA-N 1 0 345.425 -1.996 20 30 EAEDRO CS(=O)(=O)NCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001265984008 794883912 /nfs/dbraw/zinc/88/39/12/794883912.db2.gz ZRUUDSUHFTTWLU-NSHDSACASA-N 1 0 345.425 -1.996 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001265993866 794885623 /nfs/dbraw/zinc/88/56/23/794885623.db2.gz BZEOYWPDDOUYLM-GFCCVEGCSA-N 1 0 349.391 -1.397 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001265993867 794885172 /nfs/dbraw/zinc/88/51/72/794885172.db2.gz BZEOYWPDDOUYLM-LBPRGKRZSA-N 1 0 349.391 -1.397 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001265994496 794885537 /nfs/dbraw/zinc/88/55/37/794885537.db2.gz LMXOCPIQRTUJAT-GFCCVEGCSA-N 1 0 336.396 -1.520 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001265994500 794884827 /nfs/dbraw/zinc/88/48/27/794884827.db2.gz LMXOCPIQRTUJAT-LBPRGKRZSA-N 1 0 336.396 -1.520 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001265994688 794884738 /nfs/dbraw/zinc/88/47/38/794884738.db2.gz NRBDCZPIARNXJR-CHWSQXEVSA-N 1 0 341.433 -1.391 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001265994691 794885044 /nfs/dbraw/zinc/88/50/44/794885044.db2.gz NRBDCZPIARNXJR-OLZOCXBDSA-N 1 0 341.433 -1.391 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001265994693 794885162 /nfs/dbraw/zinc/88/51/62/794885162.db2.gz NRBDCZPIARNXJR-QWHCGFSZSA-N 1 0 341.433 -1.391 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001265994695 794885341 /nfs/dbraw/zinc/88/53/41/794885341.db2.gz NRBDCZPIARNXJR-STQMWFEESA-N 1 0 341.433 -1.391 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001265997353 794884782 /nfs/dbraw/zinc/88/47/82/794884782.db2.gz MILAMLOYTPVDKN-CHWSQXEVSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001265997354 794885065 /nfs/dbraw/zinc/88/50/65/794885065.db2.gz MILAMLOYTPVDKN-OLZOCXBDSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001265997355 794885426 /nfs/dbraw/zinc/88/54/26/794885426.db2.gz MILAMLOYTPVDKN-QWHCGFSZSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001265997356 794885052 /nfs/dbraw/zinc/88/50/52/794885052.db2.gz MILAMLOYTPVDKN-STQMWFEESA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266005160 794885473 /nfs/dbraw/zinc/88/54/73/794885473.db2.gz SDYPMONJVIRBRM-KBPBESRZSA-N 1 0 349.435 -2.006 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266005161 794885250 /nfs/dbraw/zinc/88/52/50/794885250.db2.gz SDYPMONJVIRBRM-KGLIPLIRSA-N 1 0 349.435 -2.006 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266005162 794885494 /nfs/dbraw/zinc/88/54/94/794885494.db2.gz SDYPMONJVIRBRM-UONOGXRCSA-N 1 0 349.435 -2.006 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266005163 794885133 /nfs/dbraw/zinc/88/51/33/794885133.db2.gz SDYPMONJVIRBRM-ZIAGYGMSSA-N 1 0 349.435 -2.006 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266017351 794885322 /nfs/dbraw/zinc/88/53/22/794885322.db2.gz ASXYANPDVPYQMG-MNOVXSKESA-N 1 0 335.364 -2.228 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266017352 794885602 /nfs/dbraw/zinc/88/56/02/794885602.db2.gz ASXYANPDVPYQMG-QWRGUYRKSA-N 1 0 335.364 -2.228 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001266018344 794886188 /nfs/dbraw/zinc/88/61/88/794886188.db2.gz OVZZKXBHKJRBSP-NEPJUHHUSA-N 1 0 344.437 -1.888 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001266018345 794886888 /nfs/dbraw/zinc/88/68/88/794886888.db2.gz OVZZKXBHKJRBSP-NWDGAFQWSA-N 1 0 344.437 -1.888 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001266018346 794886616 /nfs/dbraw/zinc/88/66/16/794886616.db2.gz OVZZKXBHKJRBSP-RYUDHWBXSA-N 1 0 344.437 -1.888 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001266018347 794886282 /nfs/dbraw/zinc/88/62/82/794886282.db2.gz OVZZKXBHKJRBSP-VXGBXAGGSA-N 1 0 344.437 -1.888 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266020065 794886053 /nfs/dbraw/zinc/88/60/53/794886053.db2.gz BLPUAJNSQUKSAE-KBPBESRZSA-N 1 0 338.408 -1.546 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266020066 794886228 /nfs/dbraw/zinc/88/62/28/794886228.db2.gz BLPUAJNSQUKSAE-KGLIPLIRSA-N 1 0 338.408 -1.546 20 30 EAEDRO CCn1nc(C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)ccc1=O ZINC001266024292 794886626 /nfs/dbraw/zinc/88/66/26/794886626.db2.gz WDIXGQPCOPBFLE-GFCCVEGCSA-N 1 0 346.391 -1.045 20 30 EAEDRO CCn1nc(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)ccc1=O ZINC001266024293 794886510 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ZINC001266749347 785154512 /nfs/dbraw/zinc/15/45/12/785154512.db2.gz HNHNSVZKDRQMSP-OLZOCXBDSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001266749348 785155528 /nfs/dbraw/zinc/15/55/28/785155528.db2.gz HNHNSVZKDRQMSP-QWHCGFSZSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001266749349 785155478 /nfs/dbraw/zinc/15/54/78/785155478.db2.gz HNHNSVZKDRQMSP-STQMWFEESA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001266751000 785155689 /nfs/dbraw/zinc/15/56/89/785155689.db2.gz BBDNCPFWLAWKHQ-LLVKDONJSA-N 1 0 329.422 -1.393 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001266751001 785154845 /nfs/dbraw/zinc/15/48/45/785154845.db2.gz BBDNCPFWLAWKHQ-NSHDSACASA-N 1 0 329.422 -1.393 20 30 EAEDRO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266755422 785155261 /nfs/dbraw/zinc/15/52/61/785155261.db2.gz PIDGYTSGFSCRGJ-CYBMUJFWSA-N 1 0 346.453 -1.482 20 30 EAEDRO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266755423 785155066 /nfs/dbraw/zinc/15/50/66/785155066.db2.gz PIDGYTSGFSCRGJ-ZDUSSCGKSA-N 1 0 346.453 -1.482 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266758007 785156698 /nfs/dbraw/zinc/15/66/98/785156698.db2.gz LRNQRUIXUYCUMS-GFCCVEGCSA-N 1 0 331.376 -1.039 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266758008 785157028 /nfs/dbraw/zinc/15/70/28/785157028.db2.gz LRNQRUIXUYCUMS-LBPRGKRZSA-N 1 0 331.376 -1.039 20 30 EAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001266760145 785156276 /nfs/dbraw/zinc/15/62/76/785156276.db2.gz WGNFSSVMGQJFFX-UHFFFAOYSA-N 1 0 344.393 -1.109 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001266765293 785156528 /nfs/dbraw/zinc/15/65/28/785156528.db2.gz UCYNQZGFYRXKJP-GFCCVEGCSA-N 1 0 329.422 -1.391 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001266765294 785156438 /nfs/dbraw/zinc/15/64/38/785156438.db2.gz UCYNQZGFYRXKJP-LBPRGKRZSA-N 1 0 329.422 -1.391 20 30 EAEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266767684 785156622 /nfs/dbraw/zinc/15/66/22/785156622.db2.gz QEWCUSCJHRRXGK-CHWSQXEVSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266767685 785156864 /nfs/dbraw/zinc/15/68/64/785156864.db2.gz QEWCUSCJHRRXGK-OLZOCXBDSA-N 1 0 333.396 -1.361 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001266775932 785157889 /nfs/dbraw/zinc/15/78/89/785157889.db2.gz QPJWLAPSNCTYAB-GFCCVEGCSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001266775933 785157986 /nfs/dbraw/zinc/15/79/86/785157986.db2.gz QPJWLAPSNCTYAB-LBPRGKRZSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001266781382 785158576 /nfs/dbraw/zinc/15/85/76/785158576.db2.gz LPQLMAAVQJCGCF-CHWSQXEVSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001266781383 785158972 /nfs/dbraw/zinc/15/89/72/785158972.db2.gz LPQLMAAVQJCGCF-OLZOCXBDSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001266781384 785158991 /nfs/dbraw/zinc/15/89/91/785158991.db2.gz LPQLMAAVQJCGCF-QWHCGFSZSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001266781385 785158940 /nfs/dbraw/zinc/15/89/40/785158940.db2.gz LPQLMAAVQJCGCF-STQMWFEESA-N 1 0 335.408 -1.019 20 30 EAEDRO C=C(Br)C[NH2+]CCN(C)C(=O)CNS(=O)(=O)NC ZINC001266789263 785158836 /nfs/dbraw/zinc/15/88/36/785158836.db2.gz SOBDXWGFAXGOBN-UHFFFAOYSA-N 1 0 343.247 -1.003 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001266793461 785159985 /nfs/dbraw/zinc/15/99/85/785159985.db2.gz NVWRCMFPOUVEJC-CYBMUJFWSA-N 1 0 345.403 -1.029 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001266793462 785160268 /nfs/dbraw/zinc/16/02/68/785160268.db2.gz NVWRCMFPOUVEJC-ZDUSSCGKSA-N 1 0 345.403 -1.029 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1nc2ccccn2c1=O ZINC001266796558 785159795 /nfs/dbraw/zinc/15/97/95/785159795.db2.gz PNMQZWSSDODWER-UHFFFAOYSA-N 1 0 344.375 -1.707 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001266801807 785160038 /nfs/dbraw/zinc/16/00/38/785160038.db2.gz SNDMTIJEQTXWEW-CHWSQXEVSA-N 1 0 335.408 -1.412 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001266801808 785159946 /nfs/dbraw/zinc/15/99/46/785159946.db2.gz SNDMTIJEQTXWEW-OLZOCXBDSA-N 1 0 335.408 -1.412 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001266801809 785159746 /nfs/dbraw/zinc/15/97/46/785159746.db2.gz SNDMTIJEQTXWEW-QWHCGFSZSA-N 1 0 335.408 -1.412 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001266801810 785160222 /nfs/dbraw/zinc/16/02/22/785160222.db2.gz SNDMTIJEQTXWEW-STQMWFEESA-N 1 0 335.408 -1.412 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001266816913 785160792 /nfs/dbraw/zinc/16/07/92/785160792.db2.gz AFTIKFMBHGLENK-GFCCVEGCSA-N 1 0 332.408 -1.283 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001266816914 785160944 /nfs/dbraw/zinc/16/09/44/785160944.db2.gz AFTIKFMBHGLENK-LBPRGKRZSA-N 1 0 332.408 -1.283 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001266822889 785162045 /nfs/dbraw/zinc/16/20/45/785162045.db2.gz HCIWGEJEKMPCQH-CYBMUJFWSA-N 1 0 348.407 -1.145 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001266822890 785162997 /nfs/dbraw/zinc/16/29/97/785162997.db2.gz HCIWGEJEKMPCQH-ZDUSSCGKSA-N 1 0 348.407 -1.145 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001266826516 785162233 /nfs/dbraw/zinc/16/22/33/785162233.db2.gz SBOMRSGAVVYYJQ-NEPJUHHUSA-N 1 0 349.391 -1.493 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001266826517 785162421 /nfs/dbraw/zinc/16/24/21/785162421.db2.gz SBOMRSGAVVYYJQ-NWDGAFQWSA-N 1 0 349.391 -1.493 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001266826518 785162076 /nfs/dbraw/zinc/16/20/76/785162076.db2.gz SBOMRSGAVVYYJQ-RYUDHWBXSA-N 1 0 349.391 -1.493 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001266826519 785162814 /nfs/dbraw/zinc/16/28/14/785162814.db2.gz SBOMRSGAVVYYJQ-VXGBXAGGSA-N 1 0 349.391 -1.493 20 30 EAEDRO N#CCNC(=O)CN1CCCC[C@H]1CNC(=O)CN1CCOCC1 ZINC001266840565 785162372 /nfs/dbraw/zinc/16/23/72/785162372.db2.gz WWJKEUACTIVETK-AWEZNQCLSA-N 1 0 337.424 -1.071 20 30 EAEDRO N#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001266840566 785162978 /nfs/dbraw/zinc/16/29/78/785162978.db2.gz WWJKEUACTIVETK-CQSZACIVSA-N 1 0 337.424 -1.071 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001266845910 785162761 /nfs/dbraw/zinc/16/27/61/785162761.db2.gz PQBGXMFGAVJSGV-NEPJUHHUSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001266845911 785162568 /nfs/dbraw/zinc/16/25/68/785162568.db2.gz PQBGXMFGAVJSGV-NWDGAFQWSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O)C1=O ZINC001266845912 785163017 /nfs/dbraw/zinc/16/30/17/785163017.db2.gz PQBGXMFGAVJSGV-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1=O ZINC001266845913 785162685 /nfs/dbraw/zinc/16/26/85/785162685.db2.gz PQBGXMFGAVJSGV-VXGBXAGGSA-N 1 0 346.453 -1.241 20 30 EAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cn1ncn2nccc2c1=O ZINC001266852141 785163715 /nfs/dbraw/zinc/16/37/15/785163715.db2.gz KRYHADIJIPDNFV-UHFFFAOYSA-N 1 0 346.351 -2.421 20 30 EAEDRO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001266855343 785164965 /nfs/dbraw/zinc/16/49/65/785164965.db2.gz AWYQNIAJLKIGDX-CHWSQXEVSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001266855344 785164637 /nfs/dbraw/zinc/16/46/37/785164637.db2.gz AWYQNIAJLKIGDX-OLZOCXBDSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001266861928 785166198 /nfs/dbraw/zinc/16/61/98/785166198.db2.gz OIXACZZHCTZADY-UHFFFAOYSA-N 1 0 332.426 -1.888 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266869836 785165986 /nfs/dbraw/zinc/16/59/86/785165986.db2.gz CMTYVJZXCFGACS-NEPJUHHUSA-N 1 0 349.391 -1.695 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266869837 785166534 /nfs/dbraw/zinc/16/65/34/785166534.db2.gz CMTYVJZXCFGACS-RYUDHWBXSA-N 1 0 349.391 -1.695 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001266872886 785166293 /nfs/dbraw/zinc/16/62/93/785166293.db2.gz PJKFBHHPFUFRES-CYBMUJFWSA-N 1 0 348.407 -1.698 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001266872887 785166274 /nfs/dbraw/zinc/16/62/74/785166274.db2.gz PJKFBHHPFUFRES-ZDUSSCGKSA-N 1 0 348.407 -1.698 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266873734 785165830 /nfs/dbraw/zinc/16/58/30/785165830.db2.gz XHJPOUYVRQCOIW-JTQLQIEISA-N 1 0 345.350 -1.022 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266873735 785166429 /nfs/dbraw/zinc/16/64/29/785166429.db2.gz XHJPOUYVRQCOIW-SNVBAGLBSA-N 1 0 345.350 -1.022 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266874072 785166584 /nfs/dbraw/zinc/16/65/84/785166584.db2.gz FBKUQRVQKVOXRK-CHWSQXEVSA-N 1 0 335.408 -1.270 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266874073 785166165 /nfs/dbraw/zinc/16/61/65/785166165.db2.gz FBKUQRVQKVOXRK-OLZOCXBDSA-N 1 0 335.408 -1.270 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266874074 785166005 /nfs/dbraw/zinc/16/60/05/785166005.db2.gz FBKUQRVQKVOXRK-QWHCGFSZSA-N 1 0 335.408 -1.270 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266874075 785165639 /nfs/dbraw/zinc/16/56/39/785165639.db2.gz FBKUQRVQKVOXRK-STQMWFEESA-N 1 0 335.408 -1.270 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001266878803 785167450 /nfs/dbraw/zinc/16/74/50/785167450.db2.gz WLNBEHZLSKWYFK-GFCCVEGCSA-N 1 0 349.391 -1.350 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001266878804 785167409 /nfs/dbraw/zinc/16/74/09/785167409.db2.gz WLNBEHZLSKWYFK-LBPRGKRZSA-N 1 0 349.391 -1.350 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001266880763 785167984 /nfs/dbraw/zinc/16/79/84/785167984.db2.gz KRWBMYSNWFWXCZ-CYBMUJFWSA-N 1 0 333.396 -1.217 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001266880764 785167324 /nfs/dbraw/zinc/16/73/24/785167324.db2.gz KRWBMYSNWFWXCZ-ZDUSSCGKSA-N 1 0 333.396 -1.217 20 30 EAEDRO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001266881483 785168084 /nfs/dbraw/zinc/16/80/84/785168084.db2.gz WPVGHMMDWRPJEI-QWHCGFSZSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001266881484 785167960 /nfs/dbraw/zinc/16/79/60/785167960.db2.gz WPVGHMMDWRPJEI-STQMWFEESA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001266882415 785167697 /nfs/dbraw/zinc/16/76/97/785167697.db2.gz HTXOKBZQWNLMTB-AWEZNQCLSA-N 1 0 329.422 -1.249 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001266882416 785168132 /nfs/dbraw/zinc/16/81/32/785168132.db2.gz HTXOKBZQWNLMTB-CQSZACIVSA-N 1 0 329.422 -1.249 20 30 EAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001266887790 785167222 /nfs/dbraw/zinc/16/72/22/785167222.db2.gz CYCUDMGMFPQBOI-UHFFFAOYSA-N 1 0 331.336 -1.264 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cnn(C)n1 ZINC001266887860 785167429 /nfs/dbraw/zinc/16/74/29/785167429.db2.gz GFZGTEKPTVYNJC-JTQLQIEISA-N 1 0 337.384 -1.123 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cnn(C)n1 ZINC001266887861 785167465 /nfs/dbraw/zinc/16/74/65/785167465.db2.gz GFZGTEKPTVYNJC-SNVBAGLBSA-N 1 0 337.384 -1.123 20 30 EAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892497 785168106 /nfs/dbraw/zinc/16/81/06/785168106.db2.gz SWJIYISNXLBFLX-CHWSQXEVSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892499 785167947 /nfs/dbraw/zinc/16/79/47/785167947.db2.gz SWJIYISNXLBFLX-OLZOCXBDSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892501 785167744 /nfs/dbraw/zinc/16/77/44/785167744.db2.gz SWJIYISNXLBFLX-QWHCGFSZSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892503 785168038 /nfs/dbraw/zinc/16/80/38/785168038.db2.gz SWJIYISNXLBFLX-STQMWFEESA-N 1 0 333.396 -1.361 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266902956 785169875 /nfs/dbraw/zinc/16/98/75/785169875.db2.gz RRAGCTVRJAEBPL-BNDIWNMDSA-N 1 0 335.408 -1.253 20 30 EAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266902957 785169833 /nfs/dbraw/zinc/16/98/33/785169833.db2.gz RRAGCTVRJAEBPL-IEECTRCBSA-N 1 0 335.408 -1.253 20 30 EAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001266902958 785169307 /nfs/dbraw/zinc/16/93/07/785169307.db2.gz RRAGCTVRJAEBPL-KIJLLGNVSA-N 1 0 335.408 -1.253 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001266902959 785168748 /nfs/dbraw/zinc/16/87/48/785168748.db2.gz RRAGCTVRJAEBPL-LBELIVKGSA-N 1 0 335.408 -1.253 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001266903848 785168889 /nfs/dbraw/zinc/16/88/89/785168889.db2.gz ZYRPOUUCNKBEJK-BJJPWKGXSA-N 1 0 332.404 -1.351 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001266903850 785169002 /nfs/dbraw/zinc/16/90/02/785169002.db2.gz ZYRPOUUCNKBEJK-MEBFFEOJSA-N 1 0 332.404 -1.351 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001266903852 785169497 /nfs/dbraw/zinc/16/94/97/785169497.db2.gz ZYRPOUUCNKBEJK-POQQGIQPSA-N 1 0 332.404 -1.351 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001266903854 785168808 /nfs/dbraw/zinc/16/88/08/785168808.db2.gz ZYRPOUUCNKBEJK-QSLWVIQJSA-N 1 0 332.404 -1.351 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266905710 785169284 /nfs/dbraw/zinc/16/92/84/785169284.db2.gz FCSIEKHIMHBNGM-CYRTVHNOSA-N 1 0 346.387 -1.777 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001266905713 785169070 /nfs/dbraw/zinc/16/90/70/785169070.db2.gz FCSIEKHIMHBNGM-QHUBEEEXSA-N 1 0 346.387 -1.777 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001266905714 785169431 /nfs/dbraw/zinc/16/94/31/785169431.db2.gz FCSIEKHIMHBNGM-TVEHIPJCSA-N 1 0 346.387 -1.777 20 30 EAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266905716 785169643 /nfs/dbraw/zinc/16/96/43/785169643.db2.gz FCSIEKHIMHBNGM-VINAVUOLSA-N 1 0 346.387 -1.777 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001266907341 785169932 /nfs/dbraw/zinc/16/99/32/785169932.db2.gz QMOHWLRLMYVERL-HIFPTAJRSA-N 1 0 333.396 -1.172 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001266907342 785169278 /nfs/dbraw/zinc/16/92/78/785169278.db2.gz QMOHWLRLMYVERL-PNESKVBLSA-N 1 0 333.396 -1.172 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001266911443 785169942 /nfs/dbraw/zinc/16/99/42/785169942.db2.gz GSVBCKRTQNDZCL-MCIGGMRASA-N 1 0 349.391 -1.649 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001266912312 785168993 /nfs/dbraw/zinc/16/89/93/785168993.db2.gz AWGFQEOGFRRMCM-UHFFFAOYSA-N 1 0 349.435 -1.815 20 30 EAEDRO CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001266913084 785169322 /nfs/dbraw/zinc/16/93/22/785169322.db2.gz GKLAMELGTKROBK-BPCQOVAHSA-N 1 0 341.433 -1.060 20 30 EAEDRO C#CC[NH2+]C1CCC(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001266915552 785169515 /nfs/dbraw/zinc/16/95/15/785169515.db2.gz KAVDKTIKBXRTOU-HIFPTAJRSA-N 1 0 333.396 -1.172 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1=COCCO1 ZINC001266922722 785168933 /nfs/dbraw/zinc/16/89/33/785168933.db2.gz SOAKCCKKEZHFJO-JTQLQIEISA-N 1 0 326.353 -1.019 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1=COCCO1 ZINC001266922723 785169114 /nfs/dbraw/zinc/16/91/14/785169114.db2.gz SOAKCCKKEZHFJO-SNVBAGLBSA-N 1 0 326.353 -1.019 20 30 EAEDRO C[C@@H](CNC(=O)CSCC#N)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001266923726 785169191 /nfs/dbraw/zinc/16/91/91/785169191.db2.gz ODFJJAFBLMTHCN-JTQLQIEISA-N 1 0 327.410 -1.704 20 30 EAEDRO C[C@H](CNC(=O)CSCC#N)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001266923727 785169790 /nfs/dbraw/zinc/16/97/90/785169790.db2.gz ODFJJAFBLMTHCN-SNVBAGLBSA-N 1 0 327.410 -1.704 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001266925976 785169174 /nfs/dbraw/zinc/16/91/74/785169174.db2.gz LGMSNWCTEZBSHX-SECBINFHSA-N 1 0 329.357 -1.552 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(=O)OC ZINC001266925977 785168962 /nfs/dbraw/zinc/16/89/62/785168962.db2.gz LGMSNWCTEZBSHX-VIFPVBQESA-N 1 0 329.357 -1.552 20 30 EAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC(=O)NCC(F)(F)F ZINC001266927821 785169673 /nfs/dbraw/zinc/16/96/73/785169673.db2.gz DHXIXFVTGHDLRI-UHFFFAOYSA-N 1 0 337.302 -1.257 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001266929121 785169463 /nfs/dbraw/zinc/16/94/63/785169463.db2.gz BGYCBDKBXAPAPW-NEPJUHHUSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001266929123 785169368 /nfs/dbraw/zinc/16/93/68/785169368.db2.gz BGYCBDKBXAPAPW-NWDGAFQWSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001266929124 785168841 /nfs/dbraw/zinc/16/88/41/785168841.db2.gz BGYCBDKBXAPAPW-RYUDHWBXSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001266929126 785169761 /nfs/dbraw/zinc/16/97/61/785169761.db2.gz BGYCBDKBXAPAPW-VXGBXAGGSA-N 1 0 341.412 -1.577 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001266934692 785170524 /nfs/dbraw/zinc/17/05/24/785170524.db2.gz XFQKFUGJKIEKMM-JTQLQIEISA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001266934693 785171631 /nfs/dbraw/zinc/17/16/31/785171631.db2.gz XFQKFUGJKIEKMM-SNVBAGLBSA-N 1 0 339.396 -1.429 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cc1nonc1C ZINC001266935490 785170893 /nfs/dbraw/zinc/17/08/93/785170893.db2.gz FSHSCEGAOSDYEJ-UHFFFAOYSA-N 1 0 338.368 -1.020 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936792 785170682 /nfs/dbraw/zinc/17/06/82/785170682.db2.gz WZDCUVZELRKQQT-NXEZZACHSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936793 785171287 /nfs/dbraw/zinc/17/12/87/785171287.db2.gz WZDCUVZELRKQQT-UWVGGRQHSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936794 785170712 /nfs/dbraw/zinc/17/07/12/785170712.db2.gz WZDCUVZELRKQQT-VHSXEESVSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936795 785171107 /nfs/dbraw/zinc/17/11/07/785171107.db2.gz WZDCUVZELRKQQT-ZJUUUORDSA-N 1 0 337.384 -1.077 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001266940015 785170978 /nfs/dbraw/zinc/17/09/78/785170978.db2.gz STZRPCKJVOSNPD-GFCCVEGCSA-N 1 0 334.442 -1.531 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001266940016 785170667 /nfs/dbraw/zinc/17/06/67/785170667.db2.gz STZRPCKJVOSNPD-LBPRGKRZSA-N 1 0 334.442 -1.531 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccn2nnnc12 ZINC001266943480 785171260 /nfs/dbraw/zinc/17/12/60/785171260.db2.gz PNRGOPMAPONXOT-GHMZBOCLSA-N 1 0 329.364 -1.030 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cccn2nnnc12 ZINC001266943482 785171697 /nfs/dbraw/zinc/17/16/97/785171697.db2.gz PNRGOPMAPONXOT-MNOVXSKESA-N 1 0 329.364 -1.030 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001266943484 785171677 /nfs/dbraw/zinc/17/16/77/785171677.db2.gz PNRGOPMAPONXOT-QWRGUYRKSA-N 1 0 329.364 -1.030 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001266943485 785171538 /nfs/dbraw/zinc/17/15/38/785171538.db2.gz PNRGOPMAPONXOT-WDEREUQCSA-N 1 0 329.364 -1.030 20 30 EAEDRO C[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)[NH2+]CC(=O)NCC#N ZINC001266943851 785171167 /nfs/dbraw/zinc/17/11/67/785171167.db2.gz COGFVBJSEDREKG-GHMZBOCLSA-N 1 0 330.410 -1.312 20 30 EAEDRO C[C@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)[NH2+]CC(=O)NCC#N ZINC001266943852 785171722 /nfs/dbraw/zinc/17/17/22/785171722.db2.gz COGFVBJSEDREKG-MNOVXSKESA-N 1 0 330.410 -1.312 20 30 EAEDRO C[C@@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)[NH2+]CC(=O)NCC#N ZINC001266943853 785170405 /nfs/dbraw/zinc/17/04/05/785170405.db2.gz COGFVBJSEDREKG-QWRGUYRKSA-N 1 0 330.410 -1.312 20 30 EAEDRO C[C@@H](CNC(=O)[C@H]1CCCCS1(=O)=O)[NH2+]CC(=O)NCC#N ZINC001266943854 785170743 /nfs/dbraw/zinc/17/07/43/785170743.db2.gz COGFVBJSEDREKG-WDEREUQCSA-N 1 0 330.410 -1.312 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001266945174 785171560 /nfs/dbraw/zinc/17/15/60/785171560.db2.gz ZTBXRZJXTYLBMZ-GHMZBOCLSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001266945175 785170653 /nfs/dbraw/zinc/17/06/53/785170653.db2.gz ZTBXRZJXTYLBMZ-MNOVXSKESA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001266945176 785171091 /nfs/dbraw/zinc/17/10/91/785171091.db2.gz ZTBXRZJXTYLBMZ-QWRGUYRKSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001266945177 785170434 /nfs/dbraw/zinc/17/04/34/785170434.db2.gz ZTBXRZJXTYLBMZ-WDEREUQCSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001266954249 785172448 /nfs/dbraw/zinc/17/24/48/785172448.db2.gz CTFCRDPOWFJHKP-NEPJUHHUSA-N 1 0 349.391 -1.170 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001266954250 785172640 /nfs/dbraw/zinc/17/26/40/785172640.db2.gz CTFCRDPOWFJHKP-NWDGAFQWSA-N 1 0 349.391 -1.170 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001266954251 785172571 /nfs/dbraw/zinc/17/25/71/785172571.db2.gz CTFCRDPOWFJHKP-RYUDHWBXSA-N 1 0 349.391 -1.170 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001266954252 785172182 /nfs/dbraw/zinc/17/21/82/785172182.db2.gz CTFCRDPOWFJHKP-VXGBXAGGSA-N 1 0 349.391 -1.170 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CCCCS1(=O)=O ZINC001266954559 785173286 /nfs/dbraw/zinc/17/32/86/785173286.db2.gz VBIHZAAKGPQTCT-GFCCVEGCSA-N 1 0 346.453 -1.192 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CCCCS1(=O)=O ZINC001266954560 785172233 /nfs/dbraw/zinc/17/22/33/785172233.db2.gz VBIHZAAKGPQTCT-LBPRGKRZSA-N 1 0 346.453 -1.192 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001266957319 785173231 /nfs/dbraw/zinc/17/32/31/785173231.db2.gz YUOLUNVQLYVFSU-NEPJUHHUSA-N 1 0 336.396 -1.796 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001266957322 785173274 /nfs/dbraw/zinc/17/32/74/785173274.db2.gz YUOLUNVQLYVFSU-NWDGAFQWSA-N 1 0 336.396 -1.796 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001266957323 785173017 /nfs/dbraw/zinc/17/30/17/785173017.db2.gz YUOLUNVQLYVFSU-RYUDHWBXSA-N 1 0 336.396 -1.796 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001266957325 785173252 /nfs/dbraw/zinc/17/32/52/785173252.db2.gz YUOLUNVQLYVFSU-VXGBXAGGSA-N 1 0 336.396 -1.796 20 30 EAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001266959396 785172126 /nfs/dbraw/zinc/17/21/26/785172126.db2.gz SSUKNJCOUZTGMI-GFCCVEGCSA-N 1 0 344.437 -1.111 20 30 EAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266959397 785172189 /nfs/dbraw/zinc/17/21/89/785172189.db2.gz SSUKNJCOUZTGMI-LBPRGKRZSA-N 1 0 344.437 -1.111 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001266959868 785172150 /nfs/dbraw/zinc/17/21/50/785172150.db2.gz YBIJAORTKWXZGW-JTQLQIEISA-N 1 0 349.391 -1.027 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001266959869 785172625 /nfs/dbraw/zinc/17/26/25/785172625.db2.gz YBIJAORTKWXZGW-SNVBAGLBSA-N 1 0 349.391 -1.027 20 30 EAEDRO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH2+]CC(=O)NCC#N ZINC001266960014 785173044 /nfs/dbraw/zinc/17/30/44/785173044.db2.gz AVHRHWKUHIFSMM-LLVKDONJSA-N 1 0 345.363 -1.770 20 30 EAEDRO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH2+]CC(=O)NCC#N ZINC001266960015 785173209 /nfs/dbraw/zinc/17/32/09/785173209.db2.gz AVHRHWKUHIFSMM-NSHDSACASA-N 1 0 345.363 -1.770 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)C1=O ZINC001266961557 785172932 /nfs/dbraw/zinc/17/29/32/785172932.db2.gz KQFCEZVTLVCVOO-CHWSQXEVSA-N 1 0 337.424 -1.701 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)C1=O ZINC001266961558 785173217 /nfs/dbraw/zinc/17/32/17/785173217.db2.gz KQFCEZVTLVCVOO-OLZOCXBDSA-N 1 0 337.424 -1.701 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)C1=O ZINC001266961559 785173135 /nfs/dbraw/zinc/17/31/35/785173135.db2.gz KQFCEZVTLVCVOO-QWHCGFSZSA-N 1 0 337.424 -1.701 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)C1=O ZINC001266961560 785173265 /nfs/dbraw/zinc/17/32/65/785173265.db2.gz KQFCEZVTLVCVOO-STQMWFEESA-N 1 0 337.424 -1.701 20 30 EAEDRO C[C@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[NH2+]CC(=O)NCC#N ZINC001266965036 785173824 /nfs/dbraw/zinc/17/38/24/785173824.db2.gz QQDLFMGGCZOASB-GHMZBOCLSA-N 1 0 333.396 -1.346 20 30 EAEDRO C[C@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[NH2+]CC(=O)NCC#N ZINC001266965037 785173837 /nfs/dbraw/zinc/17/38/37/785173837.db2.gz QQDLFMGGCZOASB-MNOVXSKESA-N 1 0 333.396 -1.346 20 30 EAEDRO C[C@@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[NH2+]CC(=O)NCC#N ZINC001266965038 785174823 /nfs/dbraw/zinc/17/48/23/785174823.db2.gz QQDLFMGGCZOASB-QWRGUYRKSA-N 1 0 333.396 -1.346 20 30 EAEDRO C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[NH2+]CC(=O)NCC#N ZINC001266965039 785174119 /nfs/dbraw/zinc/17/41/19/785174119.db2.gz QQDLFMGGCZOASB-WDEREUQCSA-N 1 0 333.396 -1.346 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001266970391 785174475 /nfs/dbraw/zinc/17/44/75/785174475.db2.gz JLSAGIWTTYGHGP-SECBINFHSA-N 1 0 329.382 -1.585 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001266970394 785174756 /nfs/dbraw/zinc/17/47/56/785174756.db2.gz JLSAGIWTTYGHGP-VIFPVBQESA-N 1 0 329.382 -1.585 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266974732 785174520 /nfs/dbraw/zinc/17/45/20/785174520.db2.gz HHCYDCAMYMQXDK-SECBINFHSA-N 1 0 337.336 -2.749 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266974740 785174106 /nfs/dbraw/zinc/17/41/06/785174106.db2.gz HHCYDCAMYMQXDK-VIFPVBQESA-N 1 0 337.336 -2.749 20 30 EAEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001266977315 785174741 /nfs/dbraw/zinc/17/47/41/785174741.db2.gz NIEDPRQGQIOPEW-LLVKDONJSA-N 1 0 349.395 -1.870 20 30 EAEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)nn1 ZINC001266977316 785173986 /nfs/dbraw/zinc/17/39/86/785173986.db2.gz NIEDPRQGQIOPEW-NSHDSACASA-N 1 0 349.395 -1.870 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001266977971 785173932 /nfs/dbraw/zinc/17/39/32/785173932.db2.gz YEJXQDCAVUMUFQ-CYBMUJFWSA-N 1 0 336.396 -1.077 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001266977972 785174566 /nfs/dbraw/zinc/17/45/66/785174566.db2.gz YEJXQDCAVUMUFQ-ZDUSSCGKSA-N 1 0 336.396 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(C)n1 ZINC001266978596 785174099 /nfs/dbraw/zinc/17/40/99/785174099.db2.gz RJVZRLNGEBNIKK-NXEZZACHSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001266978597 785174273 /nfs/dbraw/zinc/17/42/73/785174273.db2.gz RJVZRLNGEBNIKK-UWVGGRQHSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001266978598 785174189 /nfs/dbraw/zinc/17/41/89/785174189.db2.gz RJVZRLNGEBNIKK-VHSXEESVSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(C)n1 ZINC001266978599 785174036 /nfs/dbraw/zinc/17/40/36/785174036.db2.gz RJVZRLNGEBNIKK-ZJUUUORDSA-N 1 0 337.384 -1.077 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001266979209 785175575 /nfs/dbraw/zinc/17/55/75/785175575.db2.gz AGIPOOHDGJTQBO-UHFFFAOYSA-N 1 0 330.348 -1.154 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985258 785175230 /nfs/dbraw/zinc/17/52/30/785175230.db2.gz HWAXMROKWMKXCV-GHMZBOCLSA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985259 785175627 /nfs/dbraw/zinc/17/56/27/785175627.db2.gz HWAXMROKWMKXCV-MNOVXSKESA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985260 785176135 /nfs/dbraw/zinc/17/61/35/785176135.db2.gz HWAXMROKWMKXCV-QWRGUYRKSA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985261 785176015 /nfs/dbraw/zinc/17/60/15/785176015.db2.gz HWAXMROKWMKXCV-WDEREUQCSA-N 1 0 337.380 -1.887 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001266988570 785175372 /nfs/dbraw/zinc/17/53/72/785175372.db2.gz CCEMRKXSPUEJNP-NEPJUHHUSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001266988571 785176169 /nfs/dbraw/zinc/17/61/69/785176169.db2.gz CCEMRKXSPUEJNP-NWDGAFQWSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001266988572 785176060 /nfs/dbraw/zinc/17/60/60/785176060.db2.gz CCEMRKXSPUEJNP-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CS(=O)(=O)N(C)C)C1=O ZINC001266988573 785176043 /nfs/dbraw/zinc/17/60/43/785176043.db2.gz CCEMRKXSPUEJNP-VXGBXAGGSA-N 1 0 346.453 -1.241 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266991146 785175279 /nfs/dbraw/zinc/17/52/79/785175279.db2.gz ZDLOGUSXMYMIAA-GHMZBOCLSA-N 1 0 336.396 -1.878 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266991147 785176218 /nfs/dbraw/zinc/17/62/18/785176218.db2.gz ZDLOGUSXMYMIAA-MNOVXSKESA-N 1 0 336.396 -1.878 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266991148 785175604 /nfs/dbraw/zinc/17/56/04/785175604.db2.gz ZDLOGUSXMYMIAA-QWRGUYRKSA-N 1 0 336.396 -1.878 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266991149 785175243 /nfs/dbraw/zinc/17/52/43/785175243.db2.gz ZDLOGUSXMYMIAA-WDEREUQCSA-N 1 0 336.396 -1.878 20 30 EAEDRO C[C@@H](CNC(=O)Cc1nc2ncccn2n1)[NH2+]CC(=O)NCC#N ZINC001266993014 785176841 /nfs/dbraw/zinc/17/68/41/785176841.db2.gz GTRWPHIEEFTSOK-JTQLQIEISA-N 1 0 330.352 -1.599 20 30 EAEDRO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[NH2+]CC(=O)NCC#N ZINC001266993016 785177521 /nfs/dbraw/zinc/17/75/21/785177521.db2.gz GTRWPHIEEFTSOK-SNVBAGLBSA-N 1 0 330.352 -1.599 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001266993125 785176773 /nfs/dbraw/zinc/17/67/73/785176773.db2.gz ZKEZMCIFMQROOU-UHFFFAOYSA-N 1 0 342.355 -1.019 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001266994007 785177196 /nfs/dbraw/zinc/17/71/96/785177196.db2.gz HQQMDRKBBBXJSY-GFCCVEGCSA-N 1 0 336.396 -1.276 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001266994008 785177222 /nfs/dbraw/zinc/17/72/22/785177222.db2.gz HQQMDRKBBBXJSY-LBPRGKRZSA-N 1 0 336.396 -1.276 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001266994091 785177647 /nfs/dbraw/zinc/17/76/47/785177647.db2.gz IWIIXGXHKNBNGB-GHMZBOCLSA-N 1 0 349.395 -1.742 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001266994092 785177673 /nfs/dbraw/zinc/17/76/73/785177673.db2.gz IWIIXGXHKNBNGB-MNOVXSKESA-N 1 0 349.395 -1.742 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001266994093 785177486 /nfs/dbraw/zinc/17/74/86/785177486.db2.gz IWIIXGXHKNBNGB-QWRGUYRKSA-N 1 0 349.395 -1.742 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001266994094 785177180 /nfs/dbraw/zinc/17/71/80/785177180.db2.gz IWIIXGXHKNBNGB-WDEREUQCSA-N 1 0 349.395 -1.742 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001266997573 785177743 /nfs/dbraw/zinc/17/77/43/785177743.db2.gz SVLDADSDTBJIBN-LLVKDONJSA-N 1 0 346.453 -1.452 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001266997574 785177711 /nfs/dbraw/zinc/17/77/11/785177711.db2.gz SVLDADSDTBJIBN-NSHDSACASA-N 1 0 346.453 -1.452 20 30 EAEDRO N#CCSCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001266999409 785177537 /nfs/dbraw/zinc/17/75/37/785177537.db2.gz VCDQVIPZBPRPNA-LLVKDONJSA-N 1 0 341.437 -1.327 20 30 EAEDRO N#CCSCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001266999410 785177325 /nfs/dbraw/zinc/17/73/25/785177325.db2.gz VCDQVIPZBPRPNA-NSHDSACASA-N 1 0 341.437 -1.327 20 30 EAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001267000513 785178562 /nfs/dbraw/zinc/17/85/62/785178562.db2.gz COLGIOPGHKPADU-CYBMUJFWSA-N 1 0 343.449 -1.001 20 30 EAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001267000514 785178353 /nfs/dbraw/zinc/17/83/53/785178353.db2.gz COLGIOPGHKPADU-ZDUSSCGKSA-N 1 0 343.449 -1.001 20 30 EAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267000553 785178869 /nfs/dbraw/zinc/17/88/69/785178869.db2.gz DAYVOEIQLGYNRP-CYBMUJFWSA-N 1 0 338.408 -1.544 20 30 EAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001267000556 785178880 /nfs/dbraw/zinc/17/88/80/785178880.db2.gz DAYVOEIQLGYNRP-ZDUSSCGKSA-N 1 0 338.408 -1.544 20 30 EAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267001358 785178338 /nfs/dbraw/zinc/17/83/38/785178338.db2.gz OEBZFWYWPXMIKF-NEPJUHHUSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267001359 785178768 /nfs/dbraw/zinc/17/87/68/785178768.db2.gz OEBZFWYWPXMIKF-RYUDHWBXSA-N 1 0 349.391 -1.838 20 30 EAEDRO C[C@H](C#N)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001267001576 785178408 /nfs/dbraw/zinc/17/84/08/785178408.db2.gz SNEIIWOBQUFKBM-CHWSQXEVSA-N 1 0 348.407 -1.270 20 30 EAEDRO C[C@H](C#N)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001267001577 785178591 /nfs/dbraw/zinc/17/85/91/785178591.db2.gz SNEIIWOBQUFKBM-OLZOCXBDSA-N 1 0 348.407 -1.270 20 30 EAEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001267001578 785178497 /nfs/dbraw/zinc/17/84/97/785178497.db2.gz SNEIIWOBQUFKBM-QWHCGFSZSA-N 1 0 348.407 -1.270 20 30 EAEDRO C[C@@H](C#N)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001267001579 785178935 /nfs/dbraw/zinc/17/89/35/785178935.db2.gz SNEIIWOBQUFKBM-STQMWFEESA-N 1 0 348.407 -1.270 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001267004113 785178814 /nfs/dbraw/zinc/17/88/14/785178814.db2.gz AIZNXDAMQDHONB-LBPRGKRZSA-N 1 0 339.396 -1.333 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001267009830 785180965 /nfs/dbraw/zinc/18/09/65/785180965.db2.gz XFCZSTFOEVUYSY-NEPJUHHUSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001267009831 785180506 /nfs/dbraw/zinc/18/05/06/785180506.db2.gz XFCZSTFOEVUYSY-RYUDHWBXSA-N 1 0 344.437 -1.746 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267009858 785181048 /nfs/dbraw/zinc/18/10/48/785181048.db2.gz YLTICUJXPRFXAH-MNOVXSKESA-N 1 0 347.379 -2.295 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267009859 785180955 /nfs/dbraw/zinc/18/09/55/785180955.db2.gz YLTICUJXPRFXAH-QWRGUYRKSA-N 1 0 347.379 -2.295 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001267010415 785180775 /nfs/dbraw/zinc/18/07/75/785180775.db2.gz VYDNNOKDGACAEQ-OLZOCXBDSA-N 1 0 348.407 -1.134 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001267010416 785181111 /nfs/dbraw/zinc/18/11/11/785181111.db2.gz VYDNNOKDGACAEQ-STQMWFEESA-N 1 0 348.407 -1.134 20 30 EAEDRO COCCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001267010441 785180374 /nfs/dbraw/zinc/18/03/74/785180374.db2.gz WVSWDVGHVKESGJ-NSHDSACASA-N 1 0 335.368 -1.632 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001267011180 785180104 /nfs/dbraw/zinc/18/01/04/785180104.db2.gz CCYLOBSRKSXVJI-OLZOCXBDSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001267011181 785180006 /nfs/dbraw/zinc/18/00/06/785180006.db2.gz CCYLOBSRKSXVJI-STQMWFEESA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001267011885 785180919 /nfs/dbraw/zinc/18/09/19/785180919.db2.gz LJPIVPOKXVQGNT-LBPRGKRZSA-N 1 0 342.421 -2.038 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001267012542 785181121 /nfs/dbraw/zinc/18/11/21/785181121.db2.gz SJSASGRCMUZYQH-LBPRGKRZSA-N 1 0 341.375 -1.014 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267012598 785180602 /nfs/dbraw/zinc/18/06/02/785180602.db2.gz VHDMWBHGADUVCX-LBPRGKRZSA-N 1 0 331.376 -1.060 20 30 EAEDRO COCCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267012835 785180130 /nfs/dbraw/zinc/18/01/30/785180130.db2.gz IELSFHPTYOWFPB-NSHDSACASA-N 1 0 346.409 -2.122 20 30 EAEDRO CC(C)CS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267013052 785180081 /nfs/dbraw/zinc/18/00/81/785180081.db2.gz RGBZCEFGWXPBGE-LBPRGKRZSA-N 1 0 344.437 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001267015769 785180408 /nfs/dbraw/zinc/18/04/08/785180408.db2.gz QKUCLPSYDIABAH-NWDGAFQWSA-N 1 0 344.437 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001267015770 785180206 /nfs/dbraw/zinc/18/02/06/785180206.db2.gz QKUCLPSYDIABAH-RYUDHWBXSA-N 1 0 344.437 -1.617 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267015852 785181820 /nfs/dbraw/zinc/18/18/20/785181820.db2.gz VKQIHMMSLARPHU-MNOVXSKESA-N 1 0 347.441 -2.079 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267015853 785181883 /nfs/dbraw/zinc/18/18/83/785181883.db2.gz VKQIHMMSLARPHU-QWRGUYRKSA-N 1 0 347.441 -2.079 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001267015864 785181621 /nfs/dbraw/zinc/18/16/21/785181621.db2.gz VRBVLAZWSALXBJ-OLZOCXBDSA-N 1 0 348.407 -1.700 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001267015865 785181744 /nfs/dbraw/zinc/18/17/44/785181744.db2.gz VRBVLAZWSALXBJ-STQMWFEESA-N 1 0 348.407 -1.700 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267019009 785181681 /nfs/dbraw/zinc/18/16/81/785181681.db2.gz XHECMOFFXWHYMX-JTQLQIEISA-N 1 0 341.393 -1.489 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2nnc3c2CCCC3)C1 ZINC001267019188 785181793 /nfs/dbraw/zinc/18/17/93/785181793.db2.gz GXFIZPFTPXLFMZ-LBPRGKRZSA-N 1 0 345.407 -1.013 20 30 EAEDRO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)nn1 ZINC001267020722 785182804 /nfs/dbraw/zinc/18/28/04/785182804.db2.gz MIIXSSUSBRATEE-JTQLQIEISA-N 1 0 335.368 -1.147 20 30 EAEDRO CC(C)(C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)N1CCOCC1 ZINC001267020763 785182979 /nfs/dbraw/zinc/18/29/79/785182979.db2.gz OKSAZBLOMMBKAN-ZDUSSCGKSA-N 1 0 337.424 -1.073 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001267020814 785182459 /nfs/dbraw/zinc/18/24/59/785182459.db2.gz LITHSWGIYBRINS-UWVGGRQHSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001267020815 785182552 /nfs/dbraw/zinc/18/25/52/785182552.db2.gz LITHSWGIYBRINS-ZJUUUORDSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267021934 785183070 /nfs/dbraw/zinc/18/30/70/785183070.db2.gz DLEDKAPKIVQYPR-LBPRGKRZSA-N 1 0 346.453 -1.239 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001267023502 785182425 /nfs/dbraw/zinc/18/24/25/785182425.db2.gz HFCHPQUSJSOWFE-LLVKDONJSA-N 1 0 336.396 -1.924 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001267023505 785183315 /nfs/dbraw/zinc/18/33/15/785183315.db2.gz HFCHPQUSJSOWFE-NSHDSACASA-N 1 0 336.396 -1.924 20 30 EAEDRO C=CCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267033465 785183198 /nfs/dbraw/zinc/18/31/98/785183198.db2.gz VBAIAIJSMNTKPR-CYBMUJFWSA-N 1 0 338.408 -1.415 20 30 EAEDRO C=CCOCC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001267033467 785182876 /nfs/dbraw/zinc/18/28/76/785182876.db2.gz VBAIAIJSMNTKPR-ZDUSSCGKSA-N 1 0 338.408 -1.415 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001267044784 785184710 /nfs/dbraw/zinc/18/47/10/785184710.db2.gz KPYNBICMOJNCKJ-CYBMUJFWSA-N 1 0 338.408 -1.415 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001267044785 785184787 /nfs/dbraw/zinc/18/47/87/785184787.db2.gz KPYNBICMOJNCKJ-ZDUSSCGKSA-N 1 0 338.408 -1.415 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045791 785184607 /nfs/dbraw/zinc/18/46/07/785184607.db2.gz TVGQVXYQGUMPII-KBPBESRZSA-N 1 0 349.435 -1.022 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045792 785184657 /nfs/dbraw/zinc/18/46/57/785184657.db2.gz TVGQVXYQGUMPII-KGLIPLIRSA-N 1 0 349.435 -1.022 20 30 EAEDRO CS(=O)(=O)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001267046449 785185511 /nfs/dbraw/zinc/18/55/11/785185511.db2.gz DLUXIMMGLJGIRK-LLVKDONJSA-N 1 0 330.410 -1.501 20 30 EAEDRO CS(=O)(=O)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001267046450 785185298 /nfs/dbraw/zinc/18/52/98/785185298.db2.gz DLUXIMMGLJGIRK-NSHDSACASA-N 1 0 330.410 -1.501 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001267046622 785185480 /nfs/dbraw/zinc/18/54/80/785185480.db2.gz BRAAHMDYSPVIID-GHMZBOCLSA-N 1 0 344.362 -1.056 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001267046624 785185627 /nfs/dbraw/zinc/18/56/27/785185627.db2.gz BRAAHMDYSPVIID-MNOVXSKESA-N 1 0 344.362 -1.056 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001267046625 785185705 /nfs/dbraw/zinc/18/57/05/785185705.db2.gz BRAAHMDYSPVIID-QWRGUYRKSA-N 1 0 344.362 -1.056 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001267046627 785185387 /nfs/dbraw/zinc/18/53/87/785185387.db2.gz BRAAHMDYSPVIID-WDEREUQCSA-N 1 0 344.362 -1.056 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267047323 785185563 /nfs/dbraw/zinc/18/55/63/785185563.db2.gz JPWYHQCMNHKWTG-GFCCVEGCSA-N 1 0 334.380 -2.231 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267047324 785185248 /nfs/dbraw/zinc/18/52/48/785185248.db2.gz JPWYHQCMNHKWTG-LBPRGKRZSA-N 1 0 334.380 -2.231 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001267047367 785185496 /nfs/dbraw/zinc/18/54/96/785185496.db2.gz KTDNSWUWNGTUOY-KBPBESRZSA-N 1 0 349.435 -1.022 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001267047368 785185028 /nfs/dbraw/zinc/18/50/28/785185028.db2.gz KTDNSWUWNGTUOY-KGLIPLIRSA-N 1 0 349.435 -1.022 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001267047369 785185620 /nfs/dbraw/zinc/18/56/20/785185620.db2.gz KTDNSWUWNGTUOY-UONOGXRCSA-N 1 0 349.435 -1.022 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001267047370 785185719 /nfs/dbraw/zinc/18/57/19/785185719.db2.gz KTDNSWUWNGTUOY-ZIAGYGMSSA-N 1 0 349.435 -1.022 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267047531 785185804 /nfs/dbraw/zinc/18/58/04/785185804.db2.gz LSZKFMDEZLMJLF-GFCCVEGCSA-N 1 0 349.391 -1.311 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267047532 785185794 /nfs/dbraw/zinc/18/57/94/785185794.db2.gz LSZKFMDEZLMJLF-LBPRGKRZSA-N 1 0 349.391 -1.311 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001267052691 785185633 /nfs/dbraw/zinc/18/56/33/785185633.db2.gz GDWMLUSVUYPAFJ-CYBMUJFWSA-N 1 0 335.408 -2.394 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001267052692 785185312 /nfs/dbraw/zinc/18/53/12/785185312.db2.gz GDWMLUSVUYPAFJ-ZDUSSCGKSA-N 1 0 335.408 -2.394 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267055206 785185685 /nfs/dbraw/zinc/18/56/85/785185685.db2.gz HWHICQCHNUVKNG-NXEZZACHSA-N 1 0 325.369 -1.690 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267055207 785185558 /nfs/dbraw/zinc/18/55/58/785185558.db2.gz HWHICQCHNUVKNG-UWVGGRQHSA-N 1 0 325.369 -1.690 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267055208 785185439 /nfs/dbraw/zinc/18/54/39/785185439.db2.gz HWHICQCHNUVKNG-VHSXEESVSA-N 1 0 325.369 -1.690 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267055210 785185697 /nfs/dbraw/zinc/18/56/97/785185697.db2.gz HWHICQCHNUVKNG-ZJUUUORDSA-N 1 0 325.369 -1.690 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267057946 785186650 /nfs/dbraw/zinc/18/66/50/785186650.db2.gz FCNLAEOZIJBHDF-UPJWGTAASA-N 1 0 335.408 -1.034 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267057947 785187288 /nfs/dbraw/zinc/18/72/88/785187288.db2.gz FCNLAEOZIJBHDF-XQQFMLRXSA-N 1 0 335.408 -1.034 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 ZINC001267060447 785187107 /nfs/dbraw/zinc/18/71/07/785187107.db2.gz GUPSNZXIBZQIFZ-CYBMUJFWSA-N 1 0 343.449 -1.001 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 ZINC001267060448 785187291 /nfs/dbraw/zinc/18/72/91/785187291.db2.gz GUPSNZXIBZQIFZ-ZDUSSCGKSA-N 1 0 343.449 -1.001 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001267061644 785186594 /nfs/dbraw/zinc/18/65/94/785186594.db2.gz QRVCFKMQPJGFIG-HNNXBMFYSA-N 1 0 336.436 -1.104 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001267061645 785187015 /nfs/dbraw/zinc/18/70/15/785187015.db2.gz QRVCFKMQPJGFIG-OAHLLOKOSA-N 1 0 336.436 -1.104 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267066605 785186183 /nfs/dbraw/zinc/18/61/83/785186183.db2.gz GFGMHKXHWLQGIG-LLVKDONJSA-N 1 0 337.380 -1.722 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267066608 785187224 /nfs/dbraw/zinc/18/72/24/785187224.db2.gz GFGMHKXHWLQGIG-NSHDSACASA-N 1 0 337.380 -1.722 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267067700 785186331 /nfs/dbraw/zinc/18/63/31/785186331.db2.gz RFODHAAEYZJCJZ-CYBMUJFWSA-N 1 0 348.407 -1.922 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267067701 785187044 /nfs/dbraw/zinc/18/70/44/785187044.db2.gz RFODHAAEYZJCJZ-ZDUSSCGKSA-N 1 0 348.407 -1.922 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001267068944 785186278 /nfs/dbraw/zinc/18/62/78/785186278.db2.gz LVXIWJHNTHSCOD-LLVKDONJSA-N 1 0 331.376 -1.085 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001267068945 785186718 /nfs/dbraw/zinc/18/67/18/785186718.db2.gz LVXIWJHNTHSCOD-NSHDSACASA-N 1 0 331.376 -1.085 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267069580 785187185 /nfs/dbraw/zinc/18/71/85/785187185.db2.gz ZPMPWCTWELGPIG-NEPJUHHUSA-N 1 0 342.421 -2.134 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267069581 785186306 /nfs/dbraw/zinc/18/63/06/785186306.db2.gz ZPMPWCTWELGPIG-NWDGAFQWSA-N 1 0 342.421 -2.134 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267069582 785187098 /nfs/dbraw/zinc/18/70/98/785187098.db2.gz ZPMPWCTWELGPIG-RYUDHWBXSA-N 1 0 342.421 -2.134 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267069583 785186259 /nfs/dbraw/zinc/18/62/59/785186259.db2.gz ZPMPWCTWELGPIG-VXGBXAGGSA-N 1 0 342.421 -2.134 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001267070164 785188403 /nfs/dbraw/zinc/18/84/03/785188403.db2.gz JKDPZZIEVBROTE-GFCCVEGCSA-N 1 0 343.387 -1.018 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001267070165 785188355 /nfs/dbraw/zinc/18/83/55/785188355.db2.gz JKDPZZIEVBROTE-LBPRGKRZSA-N 1 0 343.387 -1.018 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001267071313 785188123 /nfs/dbraw/zinc/18/81/23/785188123.db2.gz FANIOCDWZIAQLU-GFCCVEGCSA-N 1 0 343.391 -1.147 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001267071314 785188211 /nfs/dbraw/zinc/18/82/11/785188211.db2.gz FANIOCDWZIAQLU-LBPRGKRZSA-N 1 0 343.391 -1.147 20 30 EAEDRO CCN1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071675 785188479 /nfs/dbraw/zinc/18/84/79/785188479.db2.gz WNUSCLSYAKPIAJ-KBPBESRZSA-N 1 0 337.424 -1.215 20 30 EAEDRO CCN1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071676 785188377 /nfs/dbraw/zinc/18/83/77/785188377.db2.gz WNUSCLSYAKPIAJ-KGLIPLIRSA-N 1 0 337.424 -1.215 20 30 EAEDRO CCN1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071678 785188247 /nfs/dbraw/zinc/18/82/47/785188247.db2.gz WNUSCLSYAKPIAJ-UONOGXRCSA-N 1 0 337.424 -1.215 20 30 EAEDRO CCN1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071680 785188360 /nfs/dbraw/zinc/18/83/60/785188360.db2.gz WNUSCLSYAKPIAJ-ZIAGYGMSSA-N 1 0 337.424 -1.215 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001267073549 785187577 /nfs/dbraw/zinc/18/75/77/785187577.db2.gz VBOGANDAZMSAPO-CYBMUJFWSA-N 1 0 332.408 -1.065 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001267073550 785188490 /nfs/dbraw/zinc/18/84/90/785188490.db2.gz VBOGANDAZMSAPO-ZDUSSCGKSA-N 1 0 332.408 -1.065 20 30 EAEDRO COC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267074389 785188333 /nfs/dbraw/zinc/18/83/33/785188333.db2.gz HPRXHTNFZCGVJS-GHMZBOCLSA-N 1 0 325.369 -1.001 20 30 EAEDRO COC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267074390 785187812 /nfs/dbraw/zinc/18/78/12/785187812.db2.gz HPRXHTNFZCGVJS-MNOVXSKESA-N 1 0 325.369 -1.001 20 30 EAEDRO COC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267074391 785188063 /nfs/dbraw/zinc/18/80/63/785188063.db2.gz HPRXHTNFZCGVJS-QWRGUYRKSA-N 1 0 325.369 -1.001 20 30 EAEDRO COC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267074392 785187640 /nfs/dbraw/zinc/18/76/40/785187640.db2.gz HPRXHTNFZCGVJS-WDEREUQCSA-N 1 0 325.369 -1.001 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1=O ZINC001267089338 785190414 /nfs/dbraw/zinc/19/04/14/785190414.db2.gz IKLFEBHSBHJLCL-NEPJUHHUSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1=O ZINC001267089339 785190573 /nfs/dbraw/zinc/19/05/73/785190573.db2.gz IKLFEBHSBHJLCL-NWDGAFQWSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1=O ZINC001267089340 785190481 /nfs/dbraw/zinc/19/04/81/785190481.db2.gz IKLFEBHSBHJLCL-RYUDHWBXSA-N 1 0 344.437 -1.487 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1=O ZINC001267089341 785190321 /nfs/dbraw/zinc/19/03/21/785190321.db2.gz IKLFEBHSBHJLCL-VXGBXAGGSA-N 1 0 344.437 -1.487 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001267094464 785192628 /nfs/dbraw/zinc/19/26/28/785192628.db2.gz UISDXSGCTVKGHD-CHWSQXEVSA-N 1 0 348.403 -1.098 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001267094465 785193063 /nfs/dbraw/zinc/19/30/63/785193063.db2.gz UISDXSGCTVKGHD-OLZOCXBDSA-N 1 0 348.403 -1.098 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001267094467 785192965 /nfs/dbraw/zinc/19/29/65/785192965.db2.gz UISDXSGCTVKGHD-QWHCGFSZSA-N 1 0 348.403 -1.098 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001267094469 785193015 /nfs/dbraw/zinc/19/30/15/785193015.db2.gz UISDXSGCTVKGHD-STQMWFEESA-N 1 0 348.403 -1.098 20 30 EAEDRO Cc1nnc2n1C[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)CC2 ZINC001267110162 785193672 /nfs/dbraw/zinc/19/36/72/785193672.db2.gz VEFSDEUUWQXXBO-GFCCVEGCSA-N 1 0 333.396 -1.163 20 30 EAEDRO Cc1nnc2n1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)CC2 ZINC001267110163 785195156 /nfs/dbraw/zinc/19/51/56/785195156.db2.gz VEFSDEUUWQXXBO-LBPRGKRZSA-N 1 0 333.396 -1.163 20 30 EAEDRO C[C@H](CCNC(=O)CSCC#N)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267119466 785196960 /nfs/dbraw/zinc/19/69/60/785196960.db2.gz FYYHWMOEHOMCGN-LLVKDONJSA-N 1 0 341.437 -1.314 20 30 EAEDRO C[C@@H](CCNC(=O)CSCC#N)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267119467 785197016 /nfs/dbraw/zinc/19/70/16/785197016.db2.gz FYYHWMOEHOMCGN-NSHDSACASA-N 1 0 341.437 -1.314 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001267122489 785196422 /nfs/dbraw/zinc/19/64/22/785196422.db2.gz URFRKGWJJQSHGM-NEPJUHHUSA-N 1 0 331.438 -1.147 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001267122554 785196259 /nfs/dbraw/zinc/19/62/59/785196259.db2.gz URFRKGWJJQSHGM-NWDGAFQWSA-N 1 0 331.438 -1.147 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001267122557 785196852 /nfs/dbraw/zinc/19/68/52/785196852.db2.gz URFRKGWJJQSHGM-RYUDHWBXSA-N 1 0 331.438 -1.147 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001267122560 785196925 /nfs/dbraw/zinc/19/69/25/785196925.db2.gz URFRKGWJJQSHGM-VXGBXAGGSA-N 1 0 331.438 -1.147 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cnnn1C ZINC001267124290 785196254 /nfs/dbraw/zinc/19/62/54/785196254.db2.gz GAKRGDVZLYBBTK-JTQLQIEISA-N 1 0 337.384 -1.075 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)c1cnnn1C ZINC001267124291 785196845 /nfs/dbraw/zinc/19/68/45/785196845.db2.gz GAKRGDVZLYBBTK-SNVBAGLBSA-N 1 0 337.384 -1.075 20 30 EAEDRO CCN1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001267133916 785197798 /nfs/dbraw/zinc/19/77/98/785197798.db2.gz NYCPUHVYAOKDLJ-CHWSQXEVSA-N 1 0 325.413 -1.169 20 30 EAEDRO CCN1CCOC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001267133917 785198198 /nfs/dbraw/zinc/19/81/98/785198198.db2.gz NYCPUHVYAOKDLJ-OLZOCXBDSA-N 1 0 325.413 -1.169 20 30 EAEDRO CCN1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001267133918 785198016 /nfs/dbraw/zinc/19/80/16/785198016.db2.gz NYCPUHVYAOKDLJ-QWHCGFSZSA-N 1 0 325.413 -1.169 20 30 EAEDRO CCN1CCOC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001267133919 785198044 /nfs/dbraw/zinc/19/80/44/785198044.db2.gz NYCPUHVYAOKDLJ-STQMWFEESA-N 1 0 325.413 -1.169 20 30 EAEDRO C[C@@H](CCNC(=O)c1ccc2nnnn2c1)[NH2+]CC(=O)NCC#N ZINC001267138008 785198258 /nfs/dbraw/zinc/19/82/58/785198258.db2.gz JZWMESZGNYDKGV-JTQLQIEISA-N 1 0 330.352 -1.138 20 30 EAEDRO C[C@H](CCNC(=O)c1ccc2nnnn2c1)[NH2+]CC(=O)NCC#N ZINC001267138009 785198370 /nfs/dbraw/zinc/19/83/70/785198370.db2.gz JZWMESZGNYDKGV-SNVBAGLBSA-N 1 0 330.352 -1.138 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001267144621 785197680 /nfs/dbraw/zinc/19/76/80/785197680.db2.gz CALWKNZXFBSVLG-JTQLQIEISA-N 1 0 343.409 -1.195 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001267144622 785198264 /nfs/dbraw/zinc/19/82/64/785198264.db2.gz CALWKNZXFBSVLG-SNVBAGLBSA-N 1 0 343.409 -1.195 20 30 EAEDRO C[C@@H](CCNC(=O)c1nc2ncccn2n1)[NH2+]CC(=O)NCC#N ZINC001267147361 785197531 /nfs/dbraw/zinc/19/75/31/785197531.db2.gz HPURWXYBWZGSGE-JTQLQIEISA-N 1 0 330.352 -1.138 20 30 EAEDRO C[C@H](CCNC(=O)c1nc2ncccn2n1)[NH2+]CC(=O)NCC#N ZINC001267147362 785197924 /nfs/dbraw/zinc/19/79/24/785197924.db2.gz HPURWXYBWZGSGE-SNVBAGLBSA-N 1 0 330.352 -1.138 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267148593 785197333 /nfs/dbraw/zinc/19/73/33/785197333.db2.gz RYWSWZCXUVNONI-GHMZBOCLSA-N 1 0 336.392 -1.339 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267148594 785197501 /nfs/dbraw/zinc/19/75/01/785197501.db2.gz RYWSWZCXUVNONI-MNOVXSKESA-N 1 0 336.392 -1.339 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267148595 785198339 /nfs/dbraw/zinc/19/83/39/785198339.db2.gz RYWSWZCXUVNONI-QWRGUYRKSA-N 1 0 336.392 -1.339 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267148596 785197899 /nfs/dbraw/zinc/19/78/99/785197899.db2.gz RYWSWZCXUVNONI-WDEREUQCSA-N 1 0 336.392 -1.339 20 30 EAEDRO C[C@H](CCNC(=O)[C@H]1CCc2nncn2C1)[NH2+]CC(=O)NCC#N ZINC001267154315 785199046 /nfs/dbraw/zinc/19/90/46/785199046.db2.gz BDIUWGURVIXCTL-NEPJUHHUSA-N 1 0 333.396 -1.035 20 30 EAEDRO C[C@@H](CCNC(=O)[C@@H]1CCc2nncn2C1)[NH2+]CC(=O)NCC#N ZINC001267154316 785199118 /nfs/dbraw/zinc/19/91/18/785199118.db2.gz BDIUWGURVIXCTL-NWDGAFQWSA-N 1 0 333.396 -1.035 20 30 EAEDRO C[C@@H](CCNC(=O)[C@H]1CCc2nncn2C1)[NH2+]CC(=O)NCC#N ZINC001267154317 785199973 /nfs/dbraw/zinc/19/99/73/785199973.db2.gz BDIUWGURVIXCTL-RYUDHWBXSA-N 1 0 333.396 -1.035 20 30 EAEDRO C[C@H](CCNC(=O)[C@@H]1CCc2nncn2C1)[NH2+]CC(=O)NCC#N ZINC001267154318 785199925 /nfs/dbraw/zinc/19/99/25/785199925.db2.gz BDIUWGURVIXCTL-VXGBXAGGSA-N 1 0 333.396 -1.035 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267159373 785199959 /nfs/dbraw/zinc/19/99/59/785199959.db2.gz YLYRKTHBWMEKLM-GHMZBOCLSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267159374 785199132 /nfs/dbraw/zinc/19/91/32/785199132.db2.gz YLYRKTHBWMEKLM-MNOVXSKESA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267159375 785199838 /nfs/dbraw/zinc/19/98/38/785199838.db2.gz YLYRKTHBWMEKLM-QWRGUYRKSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267159376 785199844 /nfs/dbraw/zinc/19/98/44/785199844.db2.gz YLYRKTHBWMEKLM-WDEREUQCSA-N 1 0 337.380 -1.840 20 30 EAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001267168113 785199557 /nfs/dbraw/zinc/19/95/57/785199557.db2.gz ZMSPSXFKJRLHQJ-LLVKDONJSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001267168118 785199145 /nfs/dbraw/zinc/19/91/45/785199145.db2.gz ZMSPSXFKJRLHQJ-NSHDSACASA-N 1 0 334.384 -1.470 20 30 EAEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C(N)=O ZINC001267175356 785200784 /nfs/dbraw/zinc/20/07/84/785200784.db2.gz TZBROGBYZUTCIS-LLVKDONJSA-N 1 0 339.396 -1.156 20 30 EAEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(N)=O ZINC001267175357 785201028 /nfs/dbraw/zinc/20/10/28/785201028.db2.gz TZBROGBYZUTCIS-NSHDSACASA-N 1 0 339.396 -1.156 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001267188246 785202546 /nfs/dbraw/zinc/20/25/46/785202546.db2.gz GDWIROBZCGIHJD-GHMZBOCLSA-N 1 0 340.380 -1.145 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001267188247 785203280 /nfs/dbraw/zinc/20/32/80/785203280.db2.gz GDWIROBZCGIHJD-MNOVXSKESA-N 1 0 340.380 -1.145 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001267188248 785203433 /nfs/dbraw/zinc/20/34/33/785203433.db2.gz GDWIROBZCGIHJD-QWRGUYRKSA-N 1 0 340.380 -1.145 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001267188249 785202831 /nfs/dbraw/zinc/20/28/31/785202831.db2.gz GDWIROBZCGIHJD-WDEREUQCSA-N 1 0 340.380 -1.145 20 30 EAEDRO C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194090 785203148 /nfs/dbraw/zinc/20/31/48/785203148.db2.gz IOPLKKKRUQSPFQ-CYBMUJFWSA-N 1 0 337.424 -1.022 20 30 EAEDRO C#CCNC(=O)[C@H](C)N(C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194095 785202303 /nfs/dbraw/zinc/20/23/03/785202303.db2.gz IOPLKKKRUQSPFQ-ZDUSSCGKSA-N 1 0 337.424 -1.022 20 30 EAEDRO COCC#CC[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001267195477 785202860 /nfs/dbraw/zinc/20/28/60/785202860.db2.gz BGHHMXGLUPGYPZ-UHFFFAOYSA-N 1 0 334.442 -1.578 20 30 EAEDRO CN(CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)CC(=O)NCC#N ZINC001267195982 785203457 /nfs/dbraw/zinc/20/34/57/785203457.db2.gz VSJMBCRECZJULC-LLVKDONJSA-N 1 0 347.379 -1.550 20 30 EAEDRO CN(CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)CC(=O)NCC#N ZINC001267195983 785203173 /nfs/dbraw/zinc/20/31/73/785203173.db2.gz VSJMBCRECZJULC-NSHDSACASA-N 1 0 347.379 -1.550 20 30 EAEDRO CN(CCNC(=O)Cc1nnn(C(C)(C)C)n1)CC(=O)NCC#N ZINC001267198275 785202072 /nfs/dbraw/zinc/20/20/72/785202072.db2.gz JYPRUUDRDBYAIG-UHFFFAOYSA-N 1 0 336.400 -1.342 20 30 EAEDRO C=CCN1CC[C@@H](N(C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199806 785203077 /nfs/dbraw/zinc/20/30/77/785203077.db2.gz WABBBOCTUQGBQH-CYBMUJFWSA-N 1 0 338.408 -1.320 20 30 EAEDRO C=CCN1CC[C@H](N(C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199815 785202919 /nfs/dbraw/zinc/20/29/19/785202919.db2.gz WABBBOCTUQGBQH-ZDUSSCGKSA-N 1 0 338.408 -1.320 20 30 EAEDRO C#CCNC(=O)CN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001267199917 785202625 /nfs/dbraw/zinc/20/26/25/785202625.db2.gz YXPGIDJWGVZQGC-UHFFFAOYSA-N 1 0 335.364 -2.656 20 30 EAEDRO C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001267201762 785204598 /nfs/dbraw/zinc/20/45/98/785204598.db2.gz SJJNKHZHIZBYIJ-CMPLNLGQSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001267201764 785205280 /nfs/dbraw/zinc/20/52/80/785205280.db2.gz SJJNKHZHIZBYIJ-JQWIXIFHSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001267201766 785204967 /nfs/dbraw/zinc/20/49/67/785204967.db2.gz SJJNKHZHIZBYIJ-PWSUYJOCSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001267201768 785205173 /nfs/dbraw/zinc/20/51/73/785205173.db2.gz SJJNKHZHIZBYIJ-ZYHUDNBSSA-N 1 0 336.396 -1.476 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267230667 785209052 /nfs/dbraw/zinc/20/90/52/785209052.db2.gz XWTCZIIIQAUWSS-GFCCVEGCSA-N 1 0 325.413 -1.002 20 30 EAEDRO C=CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267230668 785208539 /nfs/dbraw/zinc/20/85/39/785208539.db2.gz XWTCZIIIQAUWSS-LBPRGKRZSA-N 1 0 325.413 -1.002 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCCN(C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001267232203 785210669 /nfs/dbraw/zinc/21/06/69/785210669.db2.gz CDSJJGGJJSHDKB-GFCCVEGCSA-N 1 0 337.424 -1.037 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCCN(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001267232204 785211549 /nfs/dbraw/zinc/21/15/49/785211549.db2.gz CDSJJGGJJSHDKB-LBPRGKRZSA-N 1 0 337.424 -1.037 20 30 EAEDRO COCC#CC[N@H+](C)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001267232344 785211429 /nfs/dbraw/zinc/21/14/29/785211429.db2.gz DJYNPGMKGIZULQ-UHFFFAOYSA-N 1 0 336.396 -1.322 20 30 EAEDRO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001267269646 785216349 /nfs/dbraw/zinc/21/63/49/785216349.db2.gz CBWXIHYCUKCHQD-AWEZNQCLSA-N 1 0 338.408 -1.531 20 30 EAEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001267269648 785215699 /nfs/dbraw/zinc/21/56/99/785215699.db2.gz CBWXIHYCUKCHQD-CQSZACIVSA-N 1 0 338.408 -1.531 20 30 EAEDRO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001267278851 785215573 /nfs/dbraw/zinc/21/55/73/785215573.db2.gz RTTVOQUAJWTEOR-KBPBESRZSA-N 1 0 338.408 -1.403 20 30 EAEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001267278852 785214973 /nfs/dbraw/zinc/21/49/73/785214973.db2.gz RTTVOQUAJWTEOR-KGLIPLIRSA-N 1 0 338.408 -1.403 20 30 EAEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001267279601 785216564 /nfs/dbraw/zinc/21/65/64/785216564.db2.gz HXQKODYWDQLAPI-QWHCGFSZSA-N 1 0 333.396 -1.218 20 30 EAEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001267279602 785215288 /nfs/dbraw/zinc/21/52/88/785215288.db2.gz HXQKODYWDQLAPI-STQMWFEESA-N 1 0 333.396 -1.218 20 30 EAEDRO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001267280779 785218396 /nfs/dbraw/zinc/21/83/96/785218396.db2.gz GYSOFHLROITBSN-GFCCVEGCSA-N 1 0 346.453 -1.239 20 30 EAEDRO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001267280781 785217419 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331.376 -1.324 20 30 EAEDRO C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001267778302 785291715 /nfs/dbraw/zinc/29/17/15/785291715.db2.gz XTZQNLJZQRQFPO-LLVKDONJSA-N 1 0 349.391 -1.066 20 30 EAEDRO C=CCNC(=O)CN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001267778303 785292299 /nfs/dbraw/zinc/29/22/99/785292299.db2.gz XTZQNLJZQRQFPO-NSHDSACASA-N 1 0 349.391 -1.066 20 30 EAEDRO CN(C(=O)CCc1cn(C)nn1)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267778824 785291386 /nfs/dbraw/zinc/29/13/86/785291386.db2.gz HZBFBPIDKYOZQE-CYBMUJFWSA-N 1 0 333.396 -1.080 20 30 EAEDRO CN(C(=O)CCc1cn(C)nn1)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267778825 785291829 /nfs/dbraw/zinc/29/18/29/785291829.db2.gz HZBFBPIDKYOZQE-ZDUSSCGKSA-N 1 0 333.396 -1.080 20 30 EAEDRO CN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267779320 785291477 /nfs/dbraw/zinc/29/14/77/785291477.db2.gz QEXBGNFJFPGEBZ-GFCCVEGCSA-N 1 0 344.375 -1.033 20 30 EAEDRO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267779321 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EAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CN1CCCS1(=O)=O ZINC001267808686 785295563 /nfs/dbraw/zinc/29/55/63/785295563.db2.gz WQGDGAYCVCRTNH-LBPRGKRZSA-N 1 0 344.437 -1.744 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267821957 785297235 /nfs/dbraw/zinc/29/72/35/785297235.db2.gz SLJICCRQAFYODY-UWVGGRQHSA-N 1 0 325.369 -1.629 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267821958 785296577 /nfs/dbraw/zinc/29/65/77/785296577.db2.gz SLJICCRQAFYODY-ZJUUUORDSA-N 1 0 325.369 -1.629 20 30 EAEDRO CC[C@H](CNC(=O)C1CCS(=O)(=O)CC1)[NH2+]CC(=O)NCC#N ZINC001267822343 785296854 /nfs/dbraw/zinc/29/68/54/785296854.db2.gz XKWWVKJPCJOHPJ-GFCCVEGCSA-N 1 0 344.437 -1.065 20 30 EAEDRO CC[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)[NH2+]CC(=O)NCC#N ZINC001267822349 785296119 /nfs/dbraw/zinc/29/61/19/785296119.db2.gz XKWWVKJPCJOHPJ-LBPRGKRZSA-N 1 0 344.437 -1.065 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cnn(C)n1 ZINC001267822487 785296252 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332.364 -1.102 20 30 EAEDRO C[C@](C[NH2+]CC(=O)NCC#N)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001267857876 785299516 /nfs/dbraw/zinc/29/95/16/785299516.db2.gz JBBNSJSCNZKPKQ-OAHLLOKOSA-N 1 0 332.364 -1.102 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C1CC(=O)NC(=O)C1)C1CC1 ZINC001267861703 785300023 /nfs/dbraw/zinc/30/00/23/785300023.db2.gz DDSBLRSQWKMPRV-KRWDZBQOSA-N 1 0 348.403 -1.337 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C1CC(=O)NC(=O)C1)C1CC1 ZINC001267861704 785299631 /nfs/dbraw/zinc/29/96/31/785299631.db2.gz DDSBLRSQWKMPRV-QGZVFWFLSA-N 1 0 348.403 -1.337 20 30 EAEDRO C[C@@](C[NH2+]CC(=O)NCC#N)(NC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001267864584 785299209 /nfs/dbraw/zinc/29/92/09/785299209.db2.gz GXPJIKXBLUNVBA-INIZCTEOSA-N 1 0 349.391 -1.350 20 30 EAEDRO C[C@](C[NH2+]CC(=O)NCC#N)(NC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001267864585 785300640 /nfs/dbraw/zinc/30/06/40/785300640.db2.gz GXPJIKXBLUNVBA-MRXNPFEDSA-N 1 0 349.391 -1.350 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 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785340188 /nfs/dbraw/zinc/34/01/88/785340188.db2.gz DSCNNWJSXCLPIL-LRDDRELGSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267978428 785340822 /nfs/dbraw/zinc/34/08/22/785340822.db2.gz DSCNNWJSXCLPIL-MLGOLLRUSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267978429 785339899 /nfs/dbraw/zinc/33/98/99/785339899.db2.gz DSCNNWJSXCLPIL-WBMJQRKESA-N 1 0 340.424 -1.386 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001267981065 785341379 /nfs/dbraw/zinc/34/13/79/785341379.db2.gz ZFENXVNFZASGIV-JTQLQIEISA-N 1 0 337.384 -1.218 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001267981068 785341789 /nfs/dbraw/zinc/34/17/89/785341789.db2.gz ZFENXVNFZASGIV-SNVBAGLBSA-N 1 0 337.384 -1.218 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001267988126 785342523 /nfs/dbraw/zinc/34/25/23/785342523.db2.gz MIWUQICUSUTVKS-GFCCVEGCSA-N 1 0 349.391 -2.362 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001267988127 785342316 /nfs/dbraw/zinc/34/23/16/785342316.db2.gz MIWUQICUSUTVKS-LBPRGKRZSA-N 1 0 349.391 -2.362 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001267989672 785343888 /nfs/dbraw/zinc/34/38/88/785343888.db2.gz FIHXNPDBIDUQIY-NEPJUHHUSA-N 1 0 343.449 -1.099 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001267989674 785342493 /nfs/dbraw/zinc/34/24/93/785342493.db2.gz FIHXNPDBIDUQIY-NWDGAFQWSA-N 1 0 343.449 -1.099 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001267989675 785343700 /nfs/dbraw/zinc/34/37/00/785343700.db2.gz FIHXNPDBIDUQIY-RYUDHWBXSA-N 1 0 343.449 -1.099 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001267989677 785343516 /nfs/dbraw/zinc/34/35/16/785343516.db2.gz FIHXNPDBIDUQIY-VXGBXAGGSA-N 1 0 343.449 -1.099 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001267990789 785344222 /nfs/dbraw/zinc/34/42/22/785344222.db2.gz LOKPXJHRIYIJSH-CYBMUJFWSA-N 1 0 337.424 -2.148 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001267990797 785345212 /nfs/dbraw/zinc/34/52/12/785345212.db2.gz LOKPXJHRIYIJSH-ZDUSSCGKSA-N 1 0 337.424 -2.148 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001267994077 785345422 /nfs/dbraw/zinc/34/54/22/785345422.db2.gz ODFFHCYBQAYJRZ-LLVKDONJSA-N 1 0 335.364 -1.960 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001267994078 785344467 /nfs/dbraw/zinc/34/44/67/785344467.db2.gz ODFFHCYBQAYJRZ-NSHDSACASA-N 1 0 335.364 -1.960 20 30 EAEDRO C[C@H](CNC(=O)c1ccnc2c1nnn2C)C[NH2+]CC(=O)NCC#N ZINC001267998316 785345410 /nfs/dbraw/zinc/34/54/10/785345410.db2.gz LBEOSAUBKXLJSC-JTQLQIEISA-N 1 0 344.379 -1.041 20 30 EAEDRO C[C@@H](CNC(=O)c1ccnc2c1nnn2C)C[NH2+]CC(=O)NCC#N ZINC001267998317 785344653 /nfs/dbraw/zinc/34/46/53/785344653.db2.gz LBEOSAUBKXLJSC-SNVBAGLBSA-N 1 0 344.379 -1.041 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001268000360 785344730 /nfs/dbraw/zinc/34/47/30/785344730.db2.gz YVJGVZQZLDKMIV-LLVKDONJSA-N 1 0 329.364 -1.171 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001268000364 785345282 /nfs/dbraw/zinc/34/52/82/785345282.db2.gz YVJGVZQZLDKMIV-NSHDSACASA-N 1 0 329.364 -1.171 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001268005959 785346488 /nfs/dbraw/zinc/34/64/88/785346488.db2.gz SGXKEVLEFUXAOW-LLVKDONJSA-N 1 0 331.438 -1.099 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001268005960 785346450 /nfs/dbraw/zinc/34/64/50/785346450.db2.gz SGXKEVLEFUXAOW-NSHDSACASA-N 1 0 331.438 -1.099 20 30 EAEDRO C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCC1)C[NH2+]CC(=O)NCC#N ZINC001268007539 785347398 /nfs/dbraw/zinc/34/73/98/785347398.db2.gz DOVIAYOFKRIWSM-LLVKDONJSA-N 1 0 344.437 -1.065 20 30 EAEDRO C[C@H](CNC(=O)C1(S(C)(=O)=O)CCC1)C[NH2+]CC(=O)NCC#N ZINC001268007540 785348168 /nfs/dbraw/zinc/34/81/68/785348168.db2.gz DOVIAYOFKRIWSM-NSHDSACASA-N 1 0 344.437 -1.065 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001268009407 785348669 /nfs/dbraw/zinc/34/86/69/785348669.db2.gz ICLILYGEDKUQJF-MNOVXSKESA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001268009408 785347789 /nfs/dbraw/zinc/34/77/89/785347789.db2.gz ICLILYGEDKUQJF-QWRGUYRKSA-N 1 0 339.396 -1.381 20 30 EAEDRO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)C[NH2+]CC(=O)NCC#N ZINC001268011226 785347965 /nfs/dbraw/zinc/34/79/65/785347965.db2.gz UYPZVZXCHFYGEV-JTQLQIEISA-N 1 0 338.368 -2.138 20 30 EAEDRO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)C[NH2+]CC(=O)NCC#N ZINC001268011227 785347610 /nfs/dbraw/zinc/34/76/10/785347610.db2.gz UYPZVZXCHFYGEV-SNVBAGLBSA-N 1 0 338.368 -2.138 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268011716 785348145 /nfs/dbraw/zinc/34/81/45/785348145.db2.gz CSCXSEOTWFUJSL-LLVKDONJSA-N 1 0 337.380 -2.028 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268011722 785347741 /nfs/dbraw/zinc/34/77/41/785347741.db2.gz CSCXSEOTWFUJSL-NSHDSACASA-N 1 0 337.380 -2.028 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001268011751 785348255 /nfs/dbraw/zinc/34/82/55/785348255.db2.gz DBPRRBWKIPYLLS-JTQLQIEISA-N 1 0 332.364 -1.720 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001268011754 785348283 /nfs/dbraw/zinc/34/82/83/785348283.db2.gz DBPRRBWKIPYLLS-SNVBAGLBSA-N 1 0 332.364 -1.720 20 30 EAEDRO Cc1nn(CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N)c(=O)n1C ZINC001268012647 785349878 /nfs/dbraw/zinc/34/98/78/785349878.db2.gz QOHZLDPSBPCHJZ-JTQLQIEISA-N 1 0 337.384 -2.128 20 30 EAEDRO Cc1nn(CC(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N)c(=O)n1C ZINC001268012654 785349900 /nfs/dbraw/zinc/34/99/00/785349900.db2.gz QOHZLDPSBPCHJZ-SNVBAGLBSA-N 1 0 337.384 -2.128 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001268014312 785350044 /nfs/dbraw/zinc/35/00/44/785350044.db2.gz PAXJUOLMKYWZIO-NEPJUHHUSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001268014313 785348987 /nfs/dbraw/zinc/34/89/87/785348987.db2.gz PAXJUOLMKYWZIO-NWDGAFQWSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001268014314 785349778 /nfs/dbraw/zinc/34/97/78/785349778.db2.gz PAXJUOLMKYWZIO-RYUDHWBXSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001268014315 785350103 /nfs/dbraw/zinc/35/01/03/785350103.db2.gz PAXJUOLMKYWZIO-VXGBXAGGSA-N 1 0 329.422 -1.345 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(C(N)=O)n1 ZINC001268015164 785350254 /nfs/dbraw/zinc/35/02/54/785350254.db2.gz HLMYFUHJJHERAR-LLVKDONJSA-N 1 0 331.376 -1.115 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cccc(C(N)=O)n1 ZINC001268015165 785350214 /nfs/dbraw/zinc/35/02/14/785350214.db2.gz HLMYFUHJJHERAR-NSHDSACASA-N 1 0 331.376 -1.115 20 30 EAEDRO CN1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCO2)C1 ZINC001268018139 785351360 /nfs/dbraw/zinc/35/13/60/785351360.db2.gz IEZQUOMEVKGPIO-CHWSQXEVSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@H](C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCO2)C1 ZINC001268018143 785351267 /nfs/dbraw/zinc/35/12/67/785351267.db2.gz IEZQUOMEVKGPIO-OLZOCXBDSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@@H](C(=O)NC[C@H]2CN(CC(=O)NCC#N)CCO2)C1 ZINC001268018144 785351703 /nfs/dbraw/zinc/35/17/03/785351703.db2.gz IEZQUOMEVKGPIO-QWHCGFSZSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@H](C(=O)NC[C@H]2CN(CC(=O)NCC#N)CCO2)C1 ZINC001268018146 785351594 /nfs/dbraw/zinc/35/15/94/785351594.db2.gz IEZQUOMEVKGPIO-STQMWFEESA-N 1 0 339.396 -2.226 20 30 EAEDRO C=CCOCCN1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001268024520 785357576 /nfs/dbraw/zinc/35/75/76/785357576.db2.gz HIGVMWOFZHOKTN-NEPJUHHUSA-N 1 0 340.380 -1.396 20 30 EAEDRO C=CCOCCN1CCO[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001268024521 785358460 /nfs/dbraw/zinc/35/84/60/785358460.db2.gz HIGVMWOFZHOKTN-RYUDHWBXSA-N 1 0 340.380 -1.396 20 30 EAEDRO N#CCNC(=O)CN1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001268029924 785364179 /nfs/dbraw/zinc/36/41/79/785364179.db2.gz JEOHDKHRCWLGHZ-CYBMUJFWSA-N 1 0 335.408 -1.461 20 30 EAEDRO N#CCNC(=O)CN1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001268029925 785364173 /nfs/dbraw/zinc/36/41/73/785364173.db2.gz JEOHDKHRCWLGHZ-ZDUSSCGKSA-N 1 0 335.408 -1.461 20 30 EAEDRO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCCC1 ZINC001268037595 785368943 /nfs/dbraw/zinc/36/89/43/785368943.db2.gz GHEQMRSZZUKLKV-LBPRGKRZSA-N 1 0 341.433 -1.059 20 30 EAEDRO CC#CC[NH+]1CC2(C1)CCN(C(=O)CNS(=O)(=O)NC)CC2 ZINC001268044916 785375019 /nfs/dbraw/zinc/37/50/19/785375019.db2.gz NLDCRCKUCZHUOU-UHFFFAOYSA-N 1 0 328.438 -1.012 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001268051762 785378444 /nfs/dbraw/zinc/37/84/44/785378444.db2.gz ZURMUQUEHKRVQL-LLVKDONJSA-N 1 0 341.412 -1.087 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001268051763 785379449 /nfs/dbraw/zinc/37/94/49/785379449.db2.gz ZURMUQUEHKRVQL-NSHDSACASA-N 1 0 341.412 -1.087 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001268059313 785380233 /nfs/dbraw/zinc/38/02/33/785380233.db2.gz FXSPUWMCABKSDP-JTQLQIEISA-N 1 0 337.384 -1.123 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001268059319 785380546 /nfs/dbraw/zinc/38/05/46/785380546.db2.gz FXSPUWMCABKSDP-SNVBAGLBSA-N 1 0 337.384 -1.123 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001268062799 785382786 /nfs/dbraw/zinc/38/27/86/785382786.db2.gz DXZSUOLICWMROG-JTQLQIEISA-N 1 0 338.372 -1.879 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001268062801 785381429 /nfs/dbraw/zinc/38/14/29/785381429.db2.gz DXZSUOLICWMROG-SNVBAGLBSA-N 1 0 338.372 -1.879 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001268062846 785383091 /nfs/dbraw/zinc/38/30/91/785383091.db2.gz HQWSXTOOMGKOSC-CYBMUJFWSA-N 1 0 337.424 -1.022 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001268062847 785382539 /nfs/dbraw/zinc/38/25/39/785382539.db2.gz HQWSXTOOMGKOSC-ZDUSSCGKSA-N 1 0 337.424 -1.022 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001268064524 785381803 /nfs/dbraw/zinc/38/18/03/785381803.db2.gz HPTWOHUJEKUKHZ-GHMZBOCLSA-N 1 0 329.422 -1.395 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001268064525 785382142 /nfs/dbraw/zinc/38/21/42/785382142.db2.gz HPTWOHUJEKUKHZ-MNOVXSKESA-N 1 0 329.422 -1.395 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001268064757 785382349 /nfs/dbraw/zinc/38/23/49/785382349.db2.gz HPTWOHUJEKUKHZ-QWRGUYRKSA-N 1 0 329.422 -1.395 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001268064758 785382187 /nfs/dbraw/zinc/38/21/87/785382187.db2.gz HPTWOHUJEKUKHZ-WDEREUQCSA-N 1 0 329.422 -1.395 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CN1CCCS1(=O)=O ZINC001268067155 785381904 /nfs/dbraw/zinc/38/19/04/785381904.db2.gz RUBABUYFZHWTLQ-LLVKDONJSA-N 1 0 345.425 -1.902 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CN1CCCS1(=O)=O ZINC001268067170 785382723 /nfs/dbraw/zinc/38/27/23/785382723.db2.gz RUBABUYFZHWTLQ-NSHDSACASA-N 1 0 345.425 -1.902 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268072843 785381410 /nfs/dbraw/zinc/38/14/10/785381410.db2.gz WOVGHNAZLRWGRD-GHMZBOCLSA-N 1 0 349.395 -1.378 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001268072844 785382031 /nfs/dbraw/zinc/38/20/31/785382031.db2.gz WOVGHNAZLRWGRD-MNOVXSKESA-N 1 0 349.395 -1.378 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001268072845 785381619 /nfs/dbraw/zinc/38/16/19/785381619.db2.gz WOVGHNAZLRWGRD-QWRGUYRKSA-N 1 0 349.395 -1.378 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268072846 785382971 /nfs/dbraw/zinc/38/29/71/785382971.db2.gz WOVGHNAZLRWGRD-WDEREUQCSA-N 1 0 349.395 -1.378 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001268072865 785382451 /nfs/dbraw/zinc/38/24/51/785382451.db2.gz XBMTVIPBEVJXQV-NXEZZACHSA-N 1 0 332.351 -1.058 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001268072867 785383026 /nfs/dbraw/zinc/38/30/26/785383026.db2.gz XBMTVIPBEVJXQV-UWVGGRQHSA-N 1 0 332.351 -1.058 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001268072869 785382567 /nfs/dbraw/zinc/38/25/67/785382567.db2.gz XBMTVIPBEVJXQV-VHSXEESVSA-N 1 0 332.351 -1.058 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001268072870 785381729 /nfs/dbraw/zinc/38/17/29/785381729.db2.gz XBMTVIPBEVJXQV-ZJUUUORDSA-N 1 0 332.351 -1.058 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268088510 785385190 /nfs/dbraw/zinc/38/51/90/785385190.db2.gz XCTKEFLMKQYXBR-AXFHLTTASA-N 1 0 339.396 -1.444 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268088511 785385317 /nfs/dbraw/zinc/38/53/17/785385317.db2.gz XCTKEFLMKQYXBR-MXWKQRLJSA-N 1 0 339.396 -1.444 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001268098000 785389508 /nfs/dbraw/zinc/38/95/08/785389508.db2.gz MNEUVJTYKOKADM-LLVKDONJSA-N 1 0 331.376 -1.020 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001268098001 785389643 /nfs/dbraw/zinc/38/96/43/785389643.db2.gz MNEUVJTYKOKADM-NSHDSACASA-N 1 0 331.376 -1.020 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001268098820 785389994 /nfs/dbraw/zinc/38/99/94/785389994.db2.gz IWUIWJSKGRDFMD-GHMZBOCLSA-N 1 0 330.410 -1.360 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001268098821 785389978 /nfs/dbraw/zinc/38/99/78/785389978.db2.gz IWUIWJSKGRDFMD-MNOVXSKESA-N 1 0 330.410 -1.360 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001268098822 785390153 /nfs/dbraw/zinc/39/01/53/785390153.db2.gz IWUIWJSKGRDFMD-QWRGUYRKSA-N 1 0 330.410 -1.360 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001268098823 785390275 /nfs/dbraw/zinc/39/02/75/785390275.db2.gz IWUIWJSKGRDFMD-WDEREUQCSA-N 1 0 330.410 -1.360 20 30 EAEDRO CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268099235 785390713 /nfs/dbraw/zinc/39/07/13/785390713.db2.gz LFACPZVOBMQRPY-LLVKDONJSA-N 1 0 332.426 -1.114 20 30 EAEDRO CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268099239 785389416 /nfs/dbraw/zinc/38/94/16/785389416.db2.gz LFACPZVOBMQRPY-NSHDSACASA-N 1 0 332.426 -1.114 20 30 EAEDRO CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1COC(=O)N1 ZINC001268105680 785389795 /nfs/dbraw/zinc/38/97/95/785389795.db2.gz OZNJBTBJMUZTFW-GHMZBOCLSA-N 1 0 325.369 -1.145 20 30 EAEDRO CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1COC(=O)N1 ZINC001268105729 785390540 /nfs/dbraw/zinc/39/05/40/785390540.db2.gz OZNJBTBJMUZTFW-MNOVXSKESA-N 1 0 325.369 -1.145 20 30 EAEDRO CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1COC(=O)N1 ZINC001268105731 785390427 /nfs/dbraw/zinc/39/04/27/785390427.db2.gz OZNJBTBJMUZTFW-QWRGUYRKSA-N 1 0 325.369 -1.145 20 30 EAEDRO CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1COC(=O)N1 ZINC001268105733 785389545 /nfs/dbraw/zinc/38/95/45/785389545.db2.gz OZNJBTBJMUZTFW-WDEREUQCSA-N 1 0 325.369 -1.145 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268109488 785389866 /nfs/dbraw/zinc/38/98/66/785389866.db2.gz ISPSLQVQFIQIAH-CHWSQXEVSA-N 1 0 337.424 -1.120 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268109489 785390700 /nfs/dbraw/zinc/39/07/00/785390700.db2.gz ISPSLQVQFIQIAH-OLZOCXBDSA-N 1 0 337.424 -1.120 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268109490 785390493 /nfs/dbraw/zinc/39/04/93/785390493.db2.gz ISPSLQVQFIQIAH-QWHCGFSZSA-N 1 0 337.424 -1.120 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268109491 785389829 /nfs/dbraw/zinc/38/98/29/785389829.db2.gz ISPSLQVQFIQIAH-STQMWFEESA-N 1 0 337.424 -1.120 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268129293 785392728 /nfs/dbraw/zinc/39/27/28/785392728.db2.gz FAYTUWAEDGWPBW-CHWSQXEVSA-N 1 0 346.453 -1.483 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268129302 785392042 /nfs/dbraw/zinc/39/20/42/785392042.db2.gz FAYTUWAEDGWPBW-OLZOCXBDSA-N 1 0 346.453 -1.483 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268129303 785392351 /nfs/dbraw/zinc/39/23/51/785392351.db2.gz FAYTUWAEDGWPBW-QWHCGFSZSA-N 1 0 346.453 -1.483 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268129304 785393407 /nfs/dbraw/zinc/39/34/07/785393407.db2.gz FAYTUWAEDGWPBW-STQMWFEESA-N 1 0 346.453 -1.483 20 30 EAEDRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001268137743 785392986 /nfs/dbraw/zinc/39/29/86/785392986.db2.gz KVDGBCXUIZTYPN-AAEUAGOBSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001268137744 785392455 /nfs/dbraw/zinc/39/24/55/785392455.db2.gz KVDGBCXUIZTYPN-DGCLKSJQSA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@H]1CN(C(=O)C(=O)NCC2CC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001268137745 785392646 /nfs/dbraw/zinc/39/26/46/785392646.db2.gz KVDGBCXUIZTYPN-WCQYABFASA-N 1 0 335.408 -1.021 20 30 EAEDRO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001268137746 785392053 /nfs/dbraw/zinc/39/20/53/785392053.db2.gz KVDGBCXUIZTYPN-YPMHNXCESA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1 ZINC001268138157 785392266 /nfs/dbraw/zinc/39/22/66/785392266.db2.gz PTYBYQBDKZMPGQ-NEPJUHHUSA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C2)CC1 ZINC001268138159 785392623 /nfs/dbraw/zinc/39/26/23/785392623.db2.gz PTYBYQBDKZMPGQ-NWDGAFQWSA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C2)CC1 ZINC001268138161 785392766 /nfs/dbraw/zinc/39/27/66/785392766.db2.gz PTYBYQBDKZMPGQ-RYUDHWBXSA-N 1 0 335.408 -1.021 20 30 EAEDRO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C2)CC1 ZINC001268138163 785392031 /nfs/dbraw/zinc/39/20/31/785392031.db2.gz PTYBYQBDKZMPGQ-VXGBXAGGSA-N 1 0 335.408 -1.021 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001268143465 785392422 /nfs/dbraw/zinc/39/24/22/785392422.db2.gz WCUVAOQFMMNJFA-NEPJUHHUSA-N 1 0 346.453 -1.336 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001268143466 785393421 /nfs/dbraw/zinc/39/34/21/785393421.db2.gz WCUVAOQFMMNJFA-NWDGAFQWSA-N 1 0 346.453 -1.336 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001268143467 785393132 /nfs/dbraw/zinc/39/31/32/785393132.db2.gz WCUVAOQFMMNJFA-RYUDHWBXSA-N 1 0 346.453 -1.336 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001268143468 785392827 /nfs/dbraw/zinc/39/28/27/785392827.db2.gz WCUVAOQFMMNJFA-VXGBXAGGSA-N 1 0 346.453 -1.336 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C ZINC001268143933 785391833 /nfs/dbraw/zinc/39/18/33/785391833.db2.gz VWJOYNZHBKQAKY-CHWSQXEVSA-N 1 0 345.403 -1.030 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C ZINC001268143934 785393320 /nfs/dbraw/zinc/39/33/20/785393320.db2.gz VWJOYNZHBKQAKY-OLZOCXBDSA-N 1 0 345.403 -1.030 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1C ZINC001268143999 785393256 /nfs/dbraw/zinc/39/32/56/785393256.db2.gz VWJOYNZHBKQAKY-QWHCGFSZSA-N 1 0 345.403 -1.030 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1C ZINC001268144000 785392960 /nfs/dbraw/zinc/39/29/60/785392960.db2.gz VWJOYNZHBKQAKY-STQMWFEESA-N 1 0 345.403 -1.030 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001268145411 785393305 /nfs/dbraw/zinc/39/33/05/785393305.db2.gz NZKKFVWCUXWZHE-CYBMUJFWSA-N 1 0 333.396 -1.217 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001268145414 785391982 /nfs/dbraw/zinc/39/19/82/785391982.db2.gz NZKKFVWCUXWZHE-ZDUSSCGKSA-N 1 0 333.396 -1.217 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001268175066 785394402 /nfs/dbraw/zinc/39/44/02/785394402.db2.gz UHFAXFLYLMOPJG-NEPJUHHUSA-N 1 0 333.396 -1.210 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001268175067 785394613 /nfs/dbraw/zinc/39/46/13/785394613.db2.gz UHFAXFLYLMOPJG-NWDGAFQWSA-N 1 0 333.396 -1.210 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001268175069 785393765 /nfs/dbraw/zinc/39/37/65/785393765.db2.gz UHFAXFLYLMOPJG-RYUDHWBXSA-N 1 0 333.396 -1.210 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001268175070 785394535 /nfs/dbraw/zinc/39/45/35/785394535.db2.gz UHFAXFLYLMOPJG-VXGBXAGGSA-N 1 0 333.396 -1.210 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1ncnn1 ZINC001268186328 785396493 /nfs/dbraw/zinc/39/64/93/785396493.db2.gz PIQRANIGFUSLIY-CHWSQXEVSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1ncnn1 ZINC001268186329 785396192 /nfs/dbraw/zinc/39/61/92/785396192.db2.gz PIQRANIGFUSLIY-OLZOCXBDSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1ncnn1 ZINC001268186330 785395888 /nfs/dbraw/zinc/39/58/88/785395888.db2.gz PIQRANIGFUSLIY-QWHCGFSZSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1ncnn1 ZINC001268186331 785395638 /nfs/dbraw/zinc/39/56/38/785395638.db2.gz PIQRANIGFUSLIY-STQMWFEESA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CNC(=O)NC 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335.408 -1.021 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001268286848 785401462 /nfs/dbraw/zinc/40/14/62/785401462.db2.gz MJKLGXPKWRLOCO-GHMZBOCLSA-N 1 0 332.364 -1.102 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001268286849 785401072 /nfs/dbraw/zinc/40/10/72/785401072.db2.gz MJKLGXPKWRLOCO-MNOVXSKESA-N 1 0 332.364 -1.102 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001268286850 785401596 /nfs/dbraw/zinc/40/15/96/785401596.db2.gz MJKLGXPKWRLOCO-QWRGUYRKSA-N 1 0 332.364 -1.102 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001268286851 785401758 /nfs/dbraw/zinc/40/17/58/785401758.db2.gz MJKLGXPKWRLOCO-WDEREUQCSA-N 1 0 332.364 -1.102 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001268294994 785401770 /nfs/dbraw/zinc/40/17/70/785401770.db2.gz KCAFPQRAEPWALD-JTQLQIEISA-N 1 0 342.352 -2.047 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001268294997 785401425 /nfs/dbraw/zinc/40/14/25/785401425.db2.gz KCAFPQRAEPWALD-SNVBAGLBSA-N 1 0 342.352 -2.047 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCOCC1 ZINC001268296387 785403319 /nfs/dbraw/zinc/40/33/19/785403319.db2.gz OYHSYRIQDPKKQT-GFCCVEGCSA-N 1 0 342.396 -1.509 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001268296390 785402885 /nfs/dbraw/zinc/40/28/85/785402885.db2.gz OYHSYRIQDPKKQT-LBPRGKRZSA-N 1 0 342.396 -1.509 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cscn1 ZINC001268296542 785403421 /nfs/dbraw/zinc/40/34/21/785403421.db2.gz CSMYPZZLRGMMSP-SECBINFHSA-N 1 0 341.393 -1.165 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cscn1 ZINC001268296557 785402445 /nfs/dbraw/zinc/40/24/45/785402445.db2.gz CSMYPZZLRGMMSP-VIFPVBQESA-N 1 0 341.393 -1.165 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001268298228 785403282 /nfs/dbraw/zinc/40/32/82/785403282.db2.gz JHEORMJKHKLKQE-GHMZBOCLSA-N 1 0 328.369 -1.899 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001268298231 785402543 /nfs/dbraw/zinc/40/25/43/785402543.db2.gz JHEORMJKHKLKQE-MNOVXSKESA-N 1 0 328.369 -1.899 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001268298232 785402732 /nfs/dbraw/zinc/40/27/32/785402732.db2.gz JHEORMJKHKLKQE-QWRGUYRKSA-N 1 0 328.369 -1.899 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001268298233 785402931 /nfs/dbraw/zinc/40/29/31/785402931.db2.gz JHEORMJKHKLKQE-WDEREUQCSA-N 1 0 328.369 -1.899 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001268298579 785402805 /nfs/dbraw/zinc/40/28/05/785402805.db2.gz ZSCSRLZALWLVJQ-CMPLNLGQSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001268298580 785402573 /nfs/dbraw/zinc/40/25/73/785402573.db2.gz ZSCSRLZALWLVJQ-JQWIXIFHSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001268298581 785402745 /nfs/dbraw/zinc/40/27/45/785402745.db2.gz ZSCSRLZALWLVJQ-PWSUYJOCSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001268298582 785402867 /nfs/dbraw/zinc/40/28/67/785402867.db2.gz ZSCSRLZALWLVJQ-ZYHUDNBSSA-N 1 0 335.364 -1.351 20 30 EAEDRO C[C@@H]1CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)CSCC#N)CCO1 ZINC001268300165 785402559 /nfs/dbraw/zinc/40/25/59/785402559.db2.gz NMUQFRHJSNFOPL-NEPJUHHUSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@H]1CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)CSCC#N)CCO1 ZINC001268300169 785403329 /nfs/dbraw/zinc/40/33/29/785403329.db2.gz NMUQFRHJSNFOPL-NWDGAFQWSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@H]1CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)CSCC#N)CCO1 ZINC001268300170 785403135 /nfs/dbraw/zinc/40/31/35/785403135.db2.gz NMUQFRHJSNFOPL-RYUDHWBXSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@@H]1CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)CSCC#N)CCO1 ZINC001268300171 785403161 /nfs/dbraw/zinc/40/31/61/785403161.db2.gz NMUQFRHJSNFOPL-VXGBXAGGSA-N 1 0 344.437 -1.443 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O)C1=O ZINC001268301519 785402461 /nfs/dbraw/zinc/40/24/61/785402461.db2.gz SCVOPEQKCHERAP-CHWSQXEVSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O)C1=O ZINC001268301520 785403007 /nfs/dbraw/zinc/40/30/07/785403007.db2.gz SCVOPEQKCHERAP-OLZOCXBDSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O)C1=O ZINC001268301521 785402775 /nfs/dbraw/zinc/40/27/75/785402775.db2.gz SCVOPEQKCHERAP-QWHCGFSZSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O)C1=O ZINC001268301522 785403102 /nfs/dbraw/zinc/40/31/02/785403102.db2.gz SCVOPEQKCHERAP-STQMWFEESA-N 1 0 326.397 -1.682 20 30 EAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001268303043 785404375 /nfs/dbraw/zinc/40/43/75/785404375.db2.gz WXFRRSVWKCGYAJ-LLVKDONJSA-N 1 0 333.348 -1.284 20 30 EAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001268303044 785404963 /nfs/dbraw/zinc/40/49/63/785404963.db2.gz WXFRRSVWKCGYAJ-NSHDSACASA-N 1 0 333.348 -1.284 20 30 EAEDRO CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268303443 785404062 /nfs/dbraw/zinc/40/40/62/785404062.db2.gz ACFXDUYGVWSLOK-GFCCVEGCSA-N 1 0 338.408 -1.939 20 30 EAEDRO CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268303444 785404185 /nfs/dbraw/zinc/40/41/85/785404185.db2.gz ACFXDUYGVWSLOK-LBPRGKRZSA-N 1 0 338.408 -1.939 20 30 EAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001268303711 785404609 /nfs/dbraw/zinc/40/46/09/785404609.db2.gz DIFDCJAPIQVNGJ-CYBMUJFWSA-N 1 0 336.392 -1.690 20 30 EAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001268303712 785404979 /nfs/dbraw/zinc/40/49/79/785404979.db2.gz DIFDCJAPIQVNGJ-ZDUSSCGKSA-N 1 0 336.392 -1.690 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268305016 785404574 /nfs/dbraw/zinc/40/45/74/785404574.db2.gz CNQGGAZLAQPLRW-GFCCVEGCSA-N 1 0 338.364 -2.737 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268305021 785405007 /nfs/dbraw/zinc/40/50/07/785405007.db2.gz CNQGGAZLAQPLRW-LBPRGKRZSA-N 1 0 338.364 -2.737 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001268305052 785404119 /nfs/dbraw/zinc/40/41/19/785404119.db2.gz DKSRVPUTSWBAMU-GFCCVEGCSA-N 1 0 333.392 -1.273 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001268305056 785404359 /nfs/dbraw/zinc/40/43/59/785404359.db2.gz DKSRVPUTSWBAMU-LBPRGKRZSA-N 1 0 333.392 -1.273 20 30 EAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001268305306 785406616 /nfs/dbraw/zinc/40/66/16/785406616.db2.gz QTULTJBYLQMESG-KBPBESRZSA-N 1 0 345.465 -1.006 20 30 EAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001268305307 785406123 /nfs/dbraw/zinc/40/61/23/785406123.db2.gz QTULTJBYLQMESG-KGLIPLIRSA-N 1 0 345.465 -1.006 20 30 EAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001268305308 785405578 /nfs/dbraw/zinc/40/55/78/785405578.db2.gz QTULTJBYLQMESG-UONOGXRCSA-N 1 0 345.465 -1.006 20 30 EAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001268305309 785406481 /nfs/dbraw/zinc/40/64/81/785406481.db2.gz QTULTJBYLQMESG-ZIAGYGMSSA-N 1 0 345.465 -1.006 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn(CC)n2)C1=O ZINC001268305745 785406346 /nfs/dbraw/zinc/40/63/46/785406346.db2.gz WPUGXGVENIMZJD-NEPJUHHUSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cnn(CC)n2)C1=O ZINC001268305746 785406313 /nfs/dbraw/zinc/40/63/13/785406313.db2.gz WPUGXGVENIMZJD-NWDGAFQWSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cnn(CC)n2)C1=O ZINC001268305747 785406074 /nfs/dbraw/zinc/40/60/74/785406074.db2.gz WPUGXGVENIMZJD-RYUDHWBXSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn(CC)n2)C1=O ZINC001268305748 785406188 /nfs/dbraw/zinc/40/61/88/785406188.db2.gz WPUGXGVENIMZJD-VXGBXAGGSA-N 1 0 336.396 -1.235 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c(F)cncc1F ZINC001268305827 785406413 /nfs/dbraw/zinc/40/64/13/785406413.db2.gz IXZLBCIMSHGRAQ-SECBINFHSA-N 1 0 326.303 -1.211 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(F)cncc1F ZINC001268305833 785405908 /nfs/dbraw/zinc/40/59/08/785405908.db2.gz IXZLBCIMSHGRAQ-VIFPVBQESA-N 1 0 326.303 -1.211 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)C1=O ZINC001268306136 785405684 /nfs/dbraw/zinc/40/56/84/785405684.db2.gz ZGEYWAJNIMGSSQ-CMPLNLGQSA-N 1 0 336.396 -1.531 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)C1=O ZINC001268306137 785406235 /nfs/dbraw/zinc/40/62/35/785406235.db2.gz ZGEYWAJNIMGSSQ-JQWIXIFHSA-N 1 0 336.396 -1.531 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)C1=O ZINC001268306138 785406391 /nfs/dbraw/zinc/40/63/91/785406391.db2.gz ZGEYWAJNIMGSSQ-PWSUYJOCSA-N 1 0 336.396 -1.531 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)C1=O ZINC001268306139 785405844 /nfs/dbraw/zinc/40/58/44/785405844.db2.gz ZGEYWAJNIMGSSQ-ZYHUDNBSSA-N 1 0 336.396 -1.531 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268306463 785405929 /nfs/dbraw/zinc/40/59/29/785405929.db2.gz XDCNABRZMCIVQA-GXTWGEPZSA-N 1 0 346.449 -1.084 20 30 EAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268306476 785405700 /nfs/dbraw/zinc/40/57/00/785405700.db2.gz XDCNABRZMCIVQA-JSGCOSHPSA-N 1 0 346.449 -1.084 20 30 EAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268306480 785406135 /nfs/dbraw/zinc/40/61/35/785406135.db2.gz XDCNABRZMCIVQA-OCCSQVGLSA-N 1 0 346.449 -1.084 20 30 EAEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001268306482 785406465 /nfs/dbraw/zinc/40/64/65/785406465.db2.gz XDCNABRZMCIVQA-TZMCWYRMSA-N 1 0 346.449 -1.084 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001268307241 785406111 /nfs/dbraw/zinc/40/61/11/785406111.db2.gz FTWFWDWZYGIJCY-LLVKDONJSA-N 1 0 335.364 -2.157 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001268307242 785405984 /nfs/dbraw/zinc/40/59/84/785405984.db2.gz FTWFWDWZYGIJCY-NSHDSACASA-N 1 0 335.364 -2.157 20 30 EAEDRO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268307266 785406359 /nfs/dbraw/zinc/40/63/59/785406359.db2.gz RMRJNIKEKNWNFZ-GFCCVEGCSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=CC(C)(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001268307267 785406495 /nfs/dbraw/zinc/40/64/95/785406495.db2.gz RMRJNIKEKNWNFZ-LBPRGKRZSA-N 1 0 340.424 -1.386 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)CCCC2 ZINC001268307269 785406511 /nfs/dbraw/zinc/40/65/11/785406511.db2.gz RMXCTTKXGRXLMV-GFCCVEGCSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cn2c(n1)CCCC2 ZINC001268307274 785406586 /nfs/dbraw/zinc/40/65/86/785406586.db2.gz RMXCTTKXGRXLMV-LBPRGKRZSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001268307362 785405787 /nfs/dbraw/zinc/40/57/87/785405787.db2.gz SLTHZEXMAFRNHX-NEPJUHHUSA-N 1 0 333.392 -1.353 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001268307366 785405972 /nfs/dbraw/zinc/40/59/72/785405972.db2.gz SLTHZEXMAFRNHX-NWDGAFQWSA-N 1 0 333.392 -1.353 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001268307376 785406041 /nfs/dbraw/zinc/40/60/41/785406041.db2.gz SLTHZEXMAFRNHX-RYUDHWBXSA-N 1 0 333.392 -1.353 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001268307377 785405535 /nfs/dbraw/zinc/40/55/35/785405535.db2.gz SLTHZEXMAFRNHX-VXGBXAGGSA-N 1 0 333.392 -1.353 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268307398 785405732 /nfs/dbraw/zinc/40/57/32/785405732.db2.gz HSLOWIDHANWPPY-NEPJUHHUSA-N 1 0 348.407 -1.639 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268307399 785406574 /nfs/dbraw/zinc/40/65/74/785406574.db2.gz HSLOWIDHANWPPY-NWDGAFQWSA-N 1 0 348.407 -1.639 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268307400 785405961 /nfs/dbraw/zinc/40/59/61/785405961.db2.gz HSLOWIDHANWPPY-RYUDHWBXSA-N 1 0 348.407 -1.639 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268307401 785406145 /nfs/dbraw/zinc/40/61/45/785406145.db2.gz HSLOWIDHANWPPY-VXGBXAGGSA-N 1 0 348.407 -1.639 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001268307571 785405509 /nfs/dbraw/zinc/40/55/09/785405509.db2.gz JDVRKXANQGWIHO-GFCCVEGCSA-N 1 0 347.419 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001268307591 785406261 /nfs/dbraw/zinc/40/62/61/785406261.db2.gz JDVRKXANQGWIHO-LBPRGKRZSA-N 1 0 347.419 -1.353 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001268308455 785404869 /nfs/dbraw/zinc/40/48/69/785404869.db2.gz MJOUFDCUICTDJZ-MRVPVSSYSA-N 1 0 347.297 -1.142 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001268308456 785404698 /nfs/dbraw/zinc/40/46/98/785404698.db2.gz MJOUFDCUICTDJZ-QMMMGPOBSA-N 1 0 347.297 -1.142 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnc2ccnn21 ZINC001268308546 785404006 /nfs/dbraw/zinc/40/40/06/785404006.db2.gz NUFSNCVLNQCSCI-LLVKDONJSA-N 1 0 332.364 -1.288 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnc2ccnn21 ZINC001268308547 785403896 /nfs/dbraw/zinc/40/38/96/785403896.db2.gz NUFSNCVLNQCSCI-NSHDSACASA-N 1 0 332.364 -1.288 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268309500 785406404 /nfs/dbraw/zinc/40/64/04/785406404.db2.gz XQPAFGOJHGKMRT-LLVKDONJSA-N 1 0 334.380 -2.028 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001268309504 785405602 /nfs/dbraw/zinc/40/56/02/785405602.db2.gz XQPAFGOJHGKMRT-NSHDSACASA-N 1 0 334.380 -2.028 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309552 785405759 /nfs/dbraw/zinc/40/57/59/785405759.db2.gz VTCDVYJHSSRWNP-MNOVXSKESA-N 1 0 325.369 -2.654 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309559 785406090 /nfs/dbraw/zinc/40/60/90/785406090.db2.gz VTCDVYJHSSRWNP-QWRGUYRKSA-N 1 0 325.369 -2.654 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001268311762 785407780 /nfs/dbraw/zinc/40/77/80/785407780.db2.gz OTIFOVXPNBWQKE-LLVKDONJSA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001268311763 785408040 /nfs/dbraw/zinc/40/80/40/785408040.db2.gz OTIFOVXPNBWQKE-NSHDSACASA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001268311932 785407437 /nfs/dbraw/zinc/40/74/37/785407437.db2.gz RQHIWHKJFRNRBS-JTQLQIEISA-N 1 0 330.348 -1.612 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001268311933 785407259 /nfs/dbraw/zinc/40/72/59/785407259.db2.gz RQHIWHKJFRNRBS-SNVBAGLBSA-N 1 0 330.348 -1.612 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001268311980 785407310 /nfs/dbraw/zinc/40/73/10/785407310.db2.gz SNJABMFXADDUGR-GFCCVEGCSA-N 1 0 329.360 -1.007 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001268311981 785407349 /nfs/dbraw/zinc/40/73/49/785407349.db2.gz SNJABMFXADDUGR-LBPRGKRZSA-N 1 0 329.360 -1.007 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001268312314 785407085 /nfs/dbraw/zinc/40/70/85/785407085.db2.gz DPHHBMWSHYOTIR-GHMZBOCLSA-N 1 0 335.364 -1.697 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001268312315 785407179 /nfs/dbraw/zinc/40/71/79/785407179.db2.gz DPHHBMWSHYOTIR-MNOVXSKESA-N 1 0 335.364 -1.697 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001268312316 785407282 /nfs/dbraw/zinc/40/72/82/785407282.db2.gz DPHHBMWSHYOTIR-QWRGUYRKSA-N 1 0 335.364 -1.697 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001268312317 785407484 /nfs/dbraw/zinc/40/74/84/785407484.db2.gz DPHHBMWSHYOTIR-WDEREUQCSA-N 1 0 335.364 -1.697 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001268312384 785407218 /nfs/dbraw/zinc/40/72/18/785407218.db2.gz WOYPQOZXHKADCC-NEPJUHHUSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001268312387 785407608 /nfs/dbraw/zinc/40/76/08/785407608.db2.gz WOYPQOZXHKADCC-NWDGAFQWSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001268312390 785407962 /nfs/dbraw/zinc/40/79/62/785407962.db2.gz WOYPQOZXHKADCC-RYUDHWBXSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001268312392 785407319 /nfs/dbraw/zinc/40/73/19/785407319.db2.gz WOYPQOZXHKADCC-VXGBXAGGSA-N 1 0 335.364 -1.351 20 30 EAEDRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)cc1Cl ZINC001268312902 785408136 /nfs/dbraw/zinc/40/81/36/785408136.db2.gz LAQHLQUQFYHNCC-MRVPVSSYSA-N 1 0 328.760 -1.606 20 30 EAEDRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)cc1Cl ZINC001268312903 785408003 /nfs/dbraw/zinc/40/80/03/785408003.db2.gz LAQHLQUQFYHNCC-QMMMGPOBSA-N 1 0 328.760 -1.606 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2ccccn21 ZINC001268313369 785407807 /nfs/dbraw/zinc/40/78/07/785407807.db2.gz COOWSOQINYMYRX-GFCCVEGCSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2ccccn21 ZINC001268313372 785407134 /nfs/dbraw/zinc/40/71/34/785407134.db2.gz COOWSOQINYMYRX-LBPRGKRZSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncc2ccccn21 ZINC001268313747 785407832 /nfs/dbraw/zinc/40/78/32/785407832.db2.gz FOPJGCMANVZEGS-CYBMUJFWSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncc2ccccn21 ZINC001268313748 785407251 /nfs/dbraw/zinc/40/72/51/785407251.db2.gz FOPJGCMANVZEGS-ZDUSSCGKSA-N 1 0 329.360 -1.236 20 30 EAEDRO Cn1cnc2cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)ccc21 ZINC001268314821 785409357 /nfs/dbraw/zinc/40/93/57/785409357.db2.gz LTFQJCKEIKEOBV-GFCCVEGCSA-N 1 0 344.375 -1.107 20 30 EAEDRO Cn1cnc2cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)ccc21 ZINC001268314822 785409219 /nfs/dbraw/zinc/40/92/19/785409219.db2.gz LTFQJCKEIKEOBV-LBPRGKRZSA-N 1 0 344.375 -1.107 20 30 EAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001268315056 785408733 /nfs/dbraw/zinc/40/87/33/785408733.db2.gz CBFCIPZBGXPCAT-KFWWJZLASA-N 1 0 325.409 -1.434 20 30 EAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001268315057 785409198 /nfs/dbraw/zinc/40/91/98/785409198.db2.gz CBFCIPZBGXPCAT-ZNMIVQPWSA-N 1 0 325.409 -1.434 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(N)=O)c1 ZINC001268315933 785408660 /nfs/dbraw/zinc/40/86/60/785408660.db2.gz QBLBYEYRFSDIAJ-CYBMUJFWSA-N 1 0 332.360 -1.785 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(C(N)=O)c1 ZINC001268315938 785408776 /nfs/dbraw/zinc/40/87/76/785408776.db2.gz QBLBYEYRFSDIAJ-ZDUSSCGKSA-N 1 0 332.360 -1.785 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nnc1CC ZINC001268316913 785408549 /nfs/dbraw/zinc/40/85/49/785408549.db2.gz WHCQGJIYXZYUCH-GFCCVEGCSA-N 1 0 333.392 -1.223 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C)nnc1CC ZINC001268316923 785409369 /nfs/dbraw/zinc/40/93/69/785409369.db2.gz WHCQGJIYXZYUCH-LBPRGKRZSA-N 1 0 333.392 -1.223 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316935 785408607 /nfs/dbraw/zinc/40/86/07/785408607.db2.gz WINPPYJPBPUWMH-NEPJUHHUSA-N 1 0 339.396 -2.394 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316942 785409314 /nfs/dbraw/zinc/40/93/14/785409314.db2.gz WINPPYJPBPUWMH-NWDGAFQWSA-N 1 0 339.396 -2.394 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316943 785409420 /nfs/dbraw/zinc/40/94/20/785409420.db2.gz WINPPYJPBPUWMH-RYUDHWBXSA-N 1 0 339.396 -2.394 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316944 785409257 /nfs/dbraw/zinc/40/92/57/785409257.db2.gz WINPPYJPBPUWMH-VXGBXAGGSA-N 1 0 339.396 -2.394 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001268317433 785410246 /nfs/dbraw/zinc/41/02/46/785410246.db2.gz XSYNYHIFTLAAJG-GXTWGEPZSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001268317438 785410344 /nfs/dbraw/zinc/41/03/44/785410344.db2.gz XSYNYHIFTLAAJG-JSGCOSHPSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001268317440 785410661 /nfs/dbraw/zinc/41/06/61/785410661.db2.gz XSYNYHIFTLAAJG-OCCSQVGLSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001268317441 785410958 /nfs/dbraw/zinc/41/09/58/785410958.db2.gz XSYNYHIFTLAAJG-TZMCWYRMSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268317756 785410836 /nfs/dbraw/zinc/41/08/36/785410836.db2.gz ZCBFGBKITOCGIC-CYBMUJFWSA-N 1 0 334.376 -1.006 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001268317757 785410502 /nfs/dbraw/zinc/41/05/02/785410502.db2.gz ZCBFGBKITOCGIC-ZDUSSCGKSA-N 1 0 334.376 -1.006 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001268318441 785410390 /nfs/dbraw/zinc/41/03/90/785410390.db2.gz QLLUFOPUMYLDOQ-LLVKDONJSA-N 1 0 344.375 -1.304 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001268318442 785410862 /nfs/dbraw/zinc/41/08/62/785410862.db2.gz QLLUFOPUMYLDOQ-NSHDSACASA-N 1 0 344.375 -1.304 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC)cc1 ZINC001268318708 785412385 /nfs/dbraw/zinc/41/23/85/785412385.db2.gz YNPCSBOPARKNAQ-CYBMUJFWSA-N 1 0 332.360 -1.196 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC)cc1 ZINC001268318709 785412135 /nfs/dbraw/zinc/41/21/35/785412135.db2.gz YNPCSBOPARKNAQ-ZDUSSCGKSA-N 1 0 332.360 -1.196 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001268318880 785412738 /nfs/dbraw/zinc/41/27/38/785412738.db2.gz SETWBEHGQIUVFA-CYBMUJFWSA-N 1 0 345.363 -1.613 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001268318886 785411927 /nfs/dbraw/zinc/41/19/27/785411927.db2.gz SETWBEHGQIUVFA-ZDUSSCGKSA-N 1 0 345.363 -1.613 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001268319013 785411907 /nfs/dbraw/zinc/41/19/07/785411907.db2.gz DUUPBLQDCDLKBO-OLZOCXBDSA-N 1 0 338.408 -1.798 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001268319019 785412374 /nfs/dbraw/zinc/41/23/74/785412374.db2.gz DUUPBLQDCDLKBO-STQMWFEESA-N 1 0 338.408 -1.798 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268319359 785411993 /nfs/dbraw/zinc/41/19/93/785411993.db2.gz XDHQFONJBWJXHN-KZVDOYCCSA-N 1 0 340.380 -2.256 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268319360 785412548 /nfs/dbraw/zinc/41/25/48/785412548.db2.gz XDHQFONJBWJXHN-ZJQBRPOHSA-N 1 0 340.380 -2.256 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001268320105 785411686 /nfs/dbraw/zinc/41/16/86/785411686.db2.gz NUIHDXZWSURWFE-AWEZNQCLSA-N 1 0 330.388 -1.071 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001268320106 785412532 /nfs/dbraw/zinc/41/25/32/785412532.db2.gz NUIHDXZWSURWFE-CQSZACIVSA-N 1 0 330.388 -1.071 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1ncccc1F ZINC001268321107 785411938 /nfs/dbraw/zinc/41/19/38/785411938.db2.gz REWGIKBZOKFAPC-NEPJUHHUSA-N 1 0 336.367 -1.032 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1ncccc1F ZINC001268321113 785412723 /nfs/dbraw/zinc/41/27/23/785412723.db2.gz REWGIKBZOKFAPC-NWDGAFQWSA-N 1 0 336.367 -1.032 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1ncccc1F ZINC001268321116 785412426 /nfs/dbraw/zinc/41/24/26/785412426.db2.gz REWGIKBZOKFAPC-RYUDHWBXSA-N 1 0 336.367 -1.032 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1ncccc1F ZINC001268321120 785412067 /nfs/dbraw/zinc/41/20/67/785412067.db2.gz REWGIKBZOKFAPC-VXGBXAGGSA-N 1 0 336.367 -1.032 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001268321362 785412170 /nfs/dbraw/zinc/41/21/70/785412170.db2.gz HCJKFYGUVAWGJN-JTQLQIEISA-N 1 0 347.379 -1.654 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001268321369 785412210 /nfs/dbraw/zinc/41/22/10/785412210.db2.gz HCJKFYGUVAWGJN-SNVBAGLBSA-N 1 0 347.379 -1.654 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001268321646 785412336 /nfs/dbraw/zinc/41/23/36/785412336.db2.gz NVWIQENZSNKMPU-GFCCVEGCSA-N 1 0 332.360 -1.058 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001268321750 785411956 /nfs/dbraw/zinc/41/19/56/785411956.db2.gz NVWIQENZSNKMPU-LBPRGKRZSA-N 1 0 332.360 -1.058 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001268322265 785413343 /nfs/dbraw/zinc/41/33/43/785413343.db2.gz DDTNWHLGGYVDNY-CHWSQXEVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001268322267 785413692 /nfs/dbraw/zinc/41/36/92/785413692.db2.gz DDTNWHLGGYVDNY-OLZOCXBDSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001268322269 785414027 /nfs/dbraw/zinc/41/40/27/785414027.db2.gz DDTNWHLGGYVDNY-QWHCGFSZSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001268322271 785413483 /nfs/dbraw/zinc/41/34/83/785413483.db2.gz DDTNWHLGGYVDNY-STQMWFEESA-N 1 0 338.408 -1.939 20 30 EAEDRO Cn1ncc2c1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC2 ZINC001268322744 785413922 /nfs/dbraw/zinc/41/39/22/785413922.db2.gz ZFTVUDVPHGKDJD-AAEUAGOBSA-N 1 0 348.407 -1.769 20 30 EAEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC2 ZINC001268322745 785413237 /nfs/dbraw/zinc/41/32/37/785413237.db2.gz ZFTVUDVPHGKDJD-DGCLKSJQSA-N 1 0 348.407 -1.769 20 30 EAEDRO Cn1ncc2c1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC2 ZINC001268322746 785413505 /nfs/dbraw/zinc/41/35/05/785413505.db2.gz ZFTVUDVPHGKDJD-WCQYABFASA-N 1 0 348.407 -1.769 20 30 EAEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC2 ZINC001268322747 785414141 /nfs/dbraw/zinc/41/41/41/785414141.db2.gz ZFTVUDVPHGKDJD-YPMHNXCESA-N 1 0 348.407 -1.769 20 30 EAEDRO COC1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268322937 785413357 /nfs/dbraw/zinc/41/33/57/785413357.db2.gz MOWFGCATTGJRGA-CPCZMJQVSA-N 1 0 326.397 -1.102 20 30 EAEDRO COC1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268322939 785413109 /nfs/dbraw/zinc/41/31/09/785413109.db2.gz MOWFGCATTGJRGA-OTTFEQOBSA-N 1 0 326.397 -1.102 20 30 EAEDRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001268323845 785413083 /nfs/dbraw/zinc/41/30/83/785413083.db2.gz PRIGFESCJTUGMG-CYBMUJFWSA-N 1 0 332.360 -2.294 20 30 EAEDRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001268323848 785414048 /nfs/dbraw/zinc/41/40/48/785414048.db2.gz PRIGFESCJTUGMG-ZDUSSCGKSA-N 1 0 332.360 -2.294 20 30 EAEDRO Cc1c(Cl)c(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001268324765 785414216 /nfs/dbraw/zinc/41/42/16/785414216.db2.gz QHEBARONQPRQOE-SECBINFHSA-N 1 0 342.787 -1.298 20 30 EAEDRO Cc1c(Cl)c(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001268324774 785413303 /nfs/dbraw/zinc/41/33/03/785413303.db2.gz QHEBARONQPRQOE-VIFPVBQESA-N 1 0 342.787 -1.298 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001268324787 785413677 /nfs/dbraw/zinc/41/36/77/785413677.db2.gz QJSADMLNQLIQOQ-KBPBESRZSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001268324788 785413561 /nfs/dbraw/zinc/41/35/61/785413561.db2.gz QJSADMLNQLIQOQ-KGLIPLIRSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001268324789 785413860 /nfs/dbraw/zinc/41/38/60/785413860.db2.gz QJSADMLNQLIQOQ-UONOGXRCSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001268324790 785413744 /nfs/dbraw/zinc/41/37/44/785413744.db2.gz QJSADMLNQLIQOQ-ZIAGYGMSSA-N 1 0 325.409 -1.039 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn2ccccc12 ZINC001268324909 785414205 /nfs/dbraw/zinc/41/42/05/785414205.db2.gz AUZYJWVRWOFIFH-LLVKDONJSA-N 1 0 330.348 -1.346 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn2ccccc12 ZINC001268324910 785413884 /nfs/dbraw/zinc/41/38/84/785413884.db2.gz AUZYJWVRWOFIFH-NSHDSACASA-N 1 0 330.348 -1.346 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nccs1 ZINC001268325517 785414856 /nfs/dbraw/zinc/41/48/56/785414856.db2.gz FDAJORLPEOSFPO-SECBINFHSA-N 1 0 341.393 -1.165 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nccs1 ZINC001268325518 785414715 /nfs/dbraw/zinc/41/47/15/785414715.db2.gz FDAJORLPEOSFPO-VIFPVBQESA-N 1 0 341.393 -1.165 20 30 EAEDRO Cn1cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)c(Cl)n1 ZINC001268325792 785415368 /nfs/dbraw/zinc/41/53/68/785415368.db2.gz BHSKWPBBHLEMRU-MRVPVSSYSA-N 1 0 328.760 -1.606 20 30 EAEDRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)c(Cl)n1 ZINC001268325795 785414921 /nfs/dbraw/zinc/41/49/21/785414921.db2.gz BHSKWPBBHLEMRU-QMMMGPOBSA-N 1 0 328.760 -1.606 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001268325873 785414593 /nfs/dbraw/zinc/41/45/93/785414593.db2.gz BLLBYYAYGWEPIF-GXSJLCMTSA-N 1 0 340.380 -2.203 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001268325877 785415361 /nfs/dbraw/zinc/41/53/61/785415361.db2.gz BLLBYYAYGWEPIF-KOLCDFICSA-N 1 0 340.380 -2.203 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001268325879 785416678 /nfs/dbraw/zinc/41/66/78/785416678.db2.gz BLLBYYAYGWEPIF-MWLCHTKSSA-N 1 0 340.380 -2.203 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001268325882 785416333 /nfs/dbraw/zinc/41/63/33/785416333.db2.gz BLLBYYAYGWEPIF-ONGXEEELSA-N 1 0 340.380 -2.203 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001268326156 785415378 /nfs/dbraw/zinc/41/53/78/785415378.db2.gz CTRRPJQAIZAJPL-CHWSQXEVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001268326157 785414896 /nfs/dbraw/zinc/41/48/96/785414896.db2.gz CTRRPJQAIZAJPL-OLZOCXBDSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001268326158 785414790 /nfs/dbraw/zinc/41/47/90/785414790.db2.gz CTRRPJQAIZAJPL-QWHCGFSZSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001268326159 785414818 /nfs/dbraw/zinc/41/48/18/785414818.db2.gz CTRRPJQAIZAJPL-STQMWFEESA-N 1 0 338.408 -1.939 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001268326314 785415355 /nfs/dbraw/zinc/41/53/55/785415355.db2.gz LAEZLTGSWDEVIU-GHMZBOCLSA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001268326319 785415455 /nfs/dbraw/zinc/41/54/55/785415455.db2.gz LAEZLTGSWDEVIU-MNOVXSKESA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001268326320 785415642 /nfs/dbraw/zinc/41/56/42/785415642.db2.gz LAEZLTGSWDEVIU-QWRGUYRKSA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001268326321 785414935 /nfs/dbraw/zinc/41/49/35/785414935.db2.gz LAEZLTGSWDEVIU-WDEREUQCSA-N 1 0 347.379 -1.505 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001268326692 785415465 /nfs/dbraw/zinc/41/54/65/785415465.db2.gz FLNNIBSGHNYNHW-BBRMVZONSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001268326694 785415301 /nfs/dbraw/zinc/41/53/01/785415301.db2.gz FLNNIBSGHNYNHW-CJNGLKHVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001268326696 785414547 /nfs/dbraw/zinc/41/45/47/785414547.db2.gz FLNNIBSGHNYNHW-CZUORRHYSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001268326698 785414693 /nfs/dbraw/zinc/41/46/93/785414693.db2.gz FLNNIBSGHNYNHW-XJKSGUPXSA-N 1 0 338.408 -1.939 20 30 EAEDRO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)c1C(F)F ZINC001268326806 785415333 /nfs/dbraw/zinc/41/53/33/785415333.db2.gz GOWHCSLLZXFUIS-MRVPVSSYSA-N 1 0 344.322 -1.322 20 30 EAEDRO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)c1C(F)F ZINC001268326807 785415315 /nfs/dbraw/zinc/41/53/15/785415315.db2.gz GOWHCSLLZXFUIS-QMMMGPOBSA-N 1 0 344.322 -1.322 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268326901 785415625 /nfs/dbraw/zinc/41/56/25/785415625.db2.gz YPZYMBUWJNLUOP-KBPBESRZSA-N 1 0 348.403 -1.639 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268326902 785415436 /nfs/dbraw/zinc/41/54/36/785415436.db2.gz YPZYMBUWJNLUOP-KGLIPLIRSA-N 1 0 348.403 -1.639 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268326904 785415485 /nfs/dbraw/zinc/41/54/85/785415485.db2.gz YPZYMBUWJNLUOP-UONOGXRCSA-N 1 0 348.403 -1.639 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268326907 785415553 /nfs/dbraw/zinc/41/55/53/785415553.db2.gz YPZYMBUWJNLUOP-ZIAGYGMSSA-N 1 0 348.403 -1.639 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001268327393 785415339 /nfs/dbraw/zinc/41/53/39/785415339.db2.gz QWACBTDGCRBHPK-CYBMUJFWSA-N 1 0 349.391 -2.324 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001268327396 785414703 /nfs/dbraw/zinc/41/47/03/785414703.db2.gz QWACBTDGCRBHPK-ZDUSSCGKSA-N 1 0 349.391 -2.324 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCCC2 ZINC001268328452 785416619 /nfs/dbraw/zinc/41/66/19/785416619.db2.gz NDNBABZRFAMEKM-LLVKDONJSA-N 1 0 334.380 -1.461 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCCC2 ZINC001268328454 785417225 /nfs/dbraw/zinc/41/72/25/785417225.db2.gz NDNBABZRFAMEKM-NSHDSACASA-N 1 0 334.380 -1.461 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001268328608 785417133 /nfs/dbraw/zinc/41/71/33/785417133.db2.gz ODGYSTSQRPCBNK-LLVKDONJSA-N 1 0 347.437 -1.984 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001268328612 785416308 /nfs/dbraw/zinc/41/63/08/785416308.db2.gz ODGYSTSQRPCBNK-NSHDSACASA-N 1 0 347.437 -1.984 20 30 EAEDRO C=CCCn1cc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001268328688 785416293 /nfs/dbraw/zinc/41/62/93/785416293.db2.gz OBJGQJNPXKSBBB-NEPJUHHUSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)nn1 ZINC001268328689 785417110 /nfs/dbraw/zinc/41/71/10/785417110.db2.gz OBJGQJNPXKSBBB-NWDGAFQWSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001268328690 785416596 /nfs/dbraw/zinc/41/65/96/785416596.db2.gz OBJGQJNPXKSBBB-RYUDHWBXSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCCn1cc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)nn1 ZINC001268328691 785417300 /nfs/dbraw/zinc/41/73/00/785417300.db2.gz OBJGQJNPXKSBBB-VXGBXAGGSA-N 1 0 336.396 -1.235 20 30 EAEDRO CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)N1CCOCC1 ZINC001268328774 785416404 /nfs/dbraw/zinc/41/64/04/785416404.db2.gz PCHALFVEBHXKFZ-GFCCVEGCSA-N 1 0 341.412 -2.196 20 30 EAEDRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)N1CCOCC1 ZINC001268328775 785417046 /nfs/dbraw/zinc/41/70/46/785417046.db2.gz PCHALFVEBHXKFZ-LBPRGKRZSA-N 1 0 341.412 -2.196 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001268328884 785417269 /nfs/dbraw/zinc/41/72/69/785417269.db2.gz QWRNZZJGRIEQED-GDBMZVCRSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001268328885 785417324 /nfs/dbraw/zinc/41/73/24/785417324.db2.gz QWRNZZJGRIEQED-GOEBONIOSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001268328886 785416533 /nfs/dbraw/zinc/41/65/33/785416533.db2.gz QWRNZZJGRIEQED-HOCLYGCPSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001268328887 785416993 /nfs/dbraw/zinc/41/69/93/785416993.db2.gz QWRNZZJGRIEQED-ZBFHGGJFSA-N 1 0 325.409 -1.039 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001268329205 785416498 /nfs/dbraw/zinc/41/64/98/785416498.db2.gz RRRKKGGGLICVHJ-CHWSQXEVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001268329209 785416581 /nfs/dbraw/zinc/41/65/81/785416581.db2.gz RRRKKGGGLICVHJ-OLZOCXBDSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001268329212 785417089 /nfs/dbraw/zinc/41/70/89/785417089.db2.gz RRRKKGGGLICVHJ-QWHCGFSZSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001268329215 785416412 /nfs/dbraw/zinc/41/64/12/785416412.db2.gz RRRKKGGGLICVHJ-STQMWFEESA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001268329407 785418217 /nfs/dbraw/zinc/41/82/17/785418217.db2.gz TVZJZZLXWLTVMX-JTQLQIEISA-N 1 0 339.352 -3.256 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001268329408 785418570 /nfs/dbraw/zinc/41/85/70/785418570.db2.gz TVZJZZLXWLTVMX-SNVBAGLBSA-N 1 0 339.352 -3.256 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001268329579 785418206 /nfs/dbraw/zinc/41/82/06/785418206.db2.gz VCMKEYODUXZYCJ-KBPBESRZSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001268329582 785417971 /nfs/dbraw/zinc/41/79/71/785417971.db2.gz VCMKEYODUXZYCJ-KGLIPLIRSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001268329584 785418500 /nfs/dbraw/zinc/41/85/00/785418500.db2.gz VCMKEYODUXZYCJ-UONOGXRCSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001268329585 785417917 /nfs/dbraw/zinc/41/79/17/785417917.db2.gz VCMKEYODUXZYCJ-ZIAGYGMSSA-N 1 0 325.409 -1.039 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001268329687 785418717 /nfs/dbraw/zinc/41/87/17/785418717.db2.gz XFXDLSXDFIJVNM-SECBINFHSA-N 1 0 338.389 -1.723 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001268329693 785418364 /nfs/dbraw/zinc/41/83/64/785418364.db2.gz XFXDLSXDFIJVNM-VIFPVBQESA-N 1 0 338.389 -1.723 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268329822 785418177 /nfs/dbraw/zinc/41/81/77/785418177.db2.gz XOCWFBHMTSZNNV-LLVKDONJSA-N 1 0 326.353 -2.403 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268329824 785418190 /nfs/dbraw/zinc/41/81/90/785418190.db2.gz XOCWFBHMTSZNNV-NSHDSACASA-N 1 0 326.353 -2.403 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001268329885 785418258 /nfs/dbraw/zinc/41/82/58/785418258.db2.gz YEIPSWZJFVKSLW-NEPJUHHUSA-N 1 0 334.376 -1.498 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001268329889 785418852 /nfs/dbraw/zinc/41/88/52/785418852.db2.gz YEIPSWZJFVKSLW-NWDGAFQWSA-N 1 0 334.376 -1.498 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001268329891 785418488 /nfs/dbraw/zinc/41/84/88/785418488.db2.gz YEIPSWZJFVKSLW-RYUDHWBXSA-N 1 0 334.376 -1.498 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001268329893 785418818 /nfs/dbraw/zinc/41/88/18/785418818.db2.gz YEIPSWZJFVKSLW-VXGBXAGGSA-N 1 0 334.376 -1.498 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)cn1 ZINC001268330519 785417315 /nfs/dbraw/zinc/41/73/15/785417315.db2.gz LBIGDKFYWWMYEQ-AWEZNQCLSA-N 1 0 331.376 -1.232 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)cn1 ZINC001268330520 785416918 /nfs/dbraw/zinc/41/69/18/785416918.db2.gz LBIGDKFYWWMYEQ-CQSZACIVSA-N 1 0 331.376 -1.232 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(C#C)nc1 ZINC001268330635 785418083 /nfs/dbraw/zinc/41/80/83/785418083.db2.gz NRPVYEKZNVNKAY-DOMZBBRYSA-N 1 0 328.372 -1.119 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#C)nc1 ZINC001268330637 785418629 /nfs/dbraw/zinc/41/86/29/785418629.db2.gz NRPVYEKZNVNKAY-IUODEOHRSA-N 1 0 328.372 -1.119 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#C)nc1 ZINC001268330638 785418348 /nfs/dbraw/zinc/41/83/48/785418348.db2.gz NRPVYEKZNVNKAY-SWLSCSKDSA-N 1 0 328.372 -1.119 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(C#C)nc1 ZINC001268330639 785418551 /nfs/dbraw/zinc/41/85/51/785418551.db2.gz NRPVYEKZNVNKAY-WFASDCNBSA-N 1 0 328.372 -1.119 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001268331022 785418305 /nfs/dbraw/zinc/41/83/05/785418305.db2.gz FFRZIHNKYLCCLT-AAEUAGOBSA-N 1 0 349.391 -1.753 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001268331023 785418142 /nfs/dbraw/zinc/41/81/42/785418142.db2.gz FFRZIHNKYLCCLT-DGCLKSJQSA-N 1 0 349.391 -1.753 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001268331024 785418790 /nfs/dbraw/zinc/41/87/90/785418790.db2.gz FFRZIHNKYLCCLT-WCQYABFASA-N 1 0 349.391 -1.753 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001268331025 785418588 /nfs/dbraw/zinc/41/85/88/785418588.db2.gz FFRZIHNKYLCCLT-YPMHNXCESA-N 1 0 349.391 -1.753 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001268331120 785418431 /nfs/dbraw/zinc/41/84/31/785418431.db2.gz RFODLIRDGPMRAW-NEPJUHHUSA-N 1 0 335.408 -1.108 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001268331124 785417839 /nfs/dbraw/zinc/41/78/39/785417839.db2.gz RFODLIRDGPMRAW-NWDGAFQWSA-N 1 0 335.408 -1.108 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001268331126 785418162 /nfs/dbraw/zinc/41/81/62/785418162.db2.gz RFODLIRDGPMRAW-RYUDHWBXSA-N 1 0 335.408 -1.108 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001268331128 785418731 /nfs/dbraw/zinc/41/87/31/785418731.db2.gz RFODLIRDGPMRAW-VXGBXAGGSA-N 1 0 335.408 -1.108 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)nc1 ZINC001268332381 785417911 /nfs/dbraw/zinc/41/79/11/785417911.db2.gz ZHHIGKBWCMHAHF-CYBMUJFWSA-N 1 0 344.371 -1.108 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)nc1 ZINC001268332386 785417739 /nfs/dbraw/zinc/41/77/39/785417739.db2.gz ZHHIGKBWCMHAHF-ZDUSSCGKSA-N 1 0 344.371 -1.108 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 ZINC001268332473 785419585 /nfs/dbraw/zinc/41/95/85/785419585.db2.gz NZZXSIKVXSOCAT-BXUZGUMPSA-N 1 0 348.359 -1.467 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001268332474 785419826 /nfs/dbraw/zinc/41/98/26/785419826.db2.gz NZZXSIKVXSOCAT-FZMZJTMJSA-N 1 0 348.359 -1.467 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001268332475 785419353 /nfs/dbraw/zinc/41/93/53/785419353.db2.gz NZZXSIKVXSOCAT-RISCZKNCSA-N 1 0 348.359 -1.467 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COc2ccccc2O1 ZINC001268332476 785419664 /nfs/dbraw/zinc/41/96/64/785419664.db2.gz NZZXSIKVXSOCAT-SMDDNHRTSA-N 1 0 348.359 -1.467 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)c1ccccn1 ZINC001268332952 785420033 /nfs/dbraw/zinc/42/00/33/785420033.db2.gz ABDXCGVJGXATFZ-CYBMUJFWSA-N 1 0 334.376 -1.472 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)c1ccccn1 ZINC001268332984 785419507 /nfs/dbraw/zinc/41/95/07/785419507.db2.gz ABDXCGVJGXATFZ-ZDUSSCGKSA-N 1 0 334.376 -1.472 20 30 EAEDRO Cc1cccc2nc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)cn21 ZINC001268335030 785419956 /nfs/dbraw/zinc/41/99/56/785419956.db2.gz INQNCHRSYNHSRG-GFCCVEGCSA-N 1 0 344.375 -1.037 20 30 EAEDRO Cc1cccc2nc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)cn21 ZINC001268335031 785419720 /nfs/dbraw/zinc/41/97/20/785419720.db2.gz INQNCHRSYNHSRG-LBPRGKRZSA-N 1 0 344.375 -1.037 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1noc2c1COCC2 ZINC001268335136 785419986 /nfs/dbraw/zinc/41/99/86/785419986.db2.gz QEFXULQIQUKEQG-JTQLQIEISA-N 1 0 338.364 -1.270 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1noc2c1COCC2 ZINC001268335137 785419250 /nfs/dbraw/zinc/41/92/50/785419250.db2.gz QEFXULQIQUKEQG-SNVBAGLBSA-N 1 0 338.364 -1.270 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@@H](C)c2nnnn2C)CC1 ZINC001268335495 785419685 /nfs/dbraw/zinc/41/96/85/785419685.db2.gz VGGVBCPXAMSVEB-GXTWGEPZSA-N 1 0 349.439 -1.317 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@@H](C)c2nnnn2C)CC1 ZINC001268335496 785419330 /nfs/dbraw/zinc/41/93/30/785419330.db2.gz VGGVBCPXAMSVEB-JSGCOSHPSA-N 1 0 349.439 -1.317 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@H](C)c2nnnn2C)CC1 ZINC001268335497 785419599 /nfs/dbraw/zinc/41/95/99/785419599.db2.gz VGGVBCPXAMSVEB-OCCSQVGLSA-N 1 0 349.439 -1.317 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@H](C)c2nnnn2C)CC1 ZINC001268335498 785420215 /nfs/dbraw/zinc/42/02/15/785420215.db2.gz VGGVBCPXAMSVEB-TZMCWYRMSA-N 1 0 349.439 -1.317 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001268335996 785419614 /nfs/dbraw/zinc/41/96/14/785419614.db2.gz QAKFYDAXLPTENE-AWEZNQCLSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001268335997 785420614 /nfs/dbraw/zinc/42/06/14/785420614.db2.gz QAKFYDAXLPTENE-CQSZACIVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCCCCC1=O ZINC001268336327 785421350 /nfs/dbraw/zinc/42/13/50/785421350.db2.gz RRWJUDWKOOIXAH-CYBMUJFWSA-N 1 0 338.408 -1.795 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCCCCC1=O ZINC001268336333 785421443 /nfs/dbraw/zinc/42/14/43/785421443.db2.gz RRWJUDWKOOIXAH-ZDUSSCGKSA-N 1 0 338.408 -1.795 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COc2ccccc21 ZINC001268339095 785420888 /nfs/dbraw/zinc/42/08/88/785420888.db2.gz RECQVNMGLYZWID-GXTWGEPZSA-N 1 0 331.372 -1.021 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COc2ccccc21 ZINC001268339104 785420675 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C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001268701638 785467426 /nfs/dbraw/zinc/46/74/26/785467426.db2.gz ZZOGUBVKELQPIL-WDEREUQCSA-N 1 0 333.396 -1.346 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001268704161 785467860 /nfs/dbraw/zinc/46/78/60/785467860.db2.gz XWLZRIOAOIGGSQ-BONVTDFDSA-N 1 0 339.396 -1.239 20 30 EAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cn1nnc2c1CCCC2 ZINC001268704636 785467897 /nfs/dbraw/zinc/46/78/97/785467897.db2.gz LNHQUQBGXKFHLC-NSHDSACASA-N 1 0 333.396 -1.109 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001268706979 785469168 /nfs/dbraw/zinc/46/91/68/785469168.db2.gz BVXZCGWFAVWIMM-QWRGUYRKSA-N 1 0 346.453 -1.454 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001268706980 785469816 /nfs/dbraw/zinc/46/98/16/785469816.db2.gz BVXZCGWFAVWIMM-WDEREUQCSA-N 1 0 346.453 -1.454 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001268707328 785469894 /nfs/dbraw/zinc/46/98/94/785469894.db2.gz ACZFWJRUCPQTHU-JTQLQIEISA-N 1 0 339.396 -1.381 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001268707360 785468873 /nfs/dbraw/zinc/46/88/73/785468873.db2.gz BBUOGKKUWIBORP-NSHDSACASA-N 1 0 329.422 -1.203 20 30 EAEDRO Cc1cc(C)n(CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001268708200 785468018 /nfs/dbraw/zinc/46/80/18/785468018.db2.gz ZCXVMUBNKIYYNB-NSHDSACASA-N 1 0 334.380 -1.406 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001268709440 785469880 /nfs/dbraw/zinc/46/98/80/785469880.db2.gz UBOZDSTWQHQWSB-UWVGGRQHSA-N 1 0 337.384 -1.077 20 30 EAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001268709441 785469840 /nfs/dbraw/zinc/46/98/40/785469840.db2.gz UBOZDSTWQHQWSB-VHSXEESVSA-N 1 0 337.384 -1.077 20 30 EAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001268710863 785469641 /nfs/dbraw/zinc/46/96/41/785469641.db2.gz QPOLSQVPWGQKCX-NWDGAFQWSA-N 1 0 337.384 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/nfs/dbraw/zinc/47/39/13/785473913.db2.gz APBARJBCMNMZIF-CYBMUJFWSA-N 1 0 346.391 -1.023 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001268747656 785474058 /nfs/dbraw/zinc/47/40/58/785474058.db2.gz APBARJBCMNMZIF-ZDUSSCGKSA-N 1 0 346.391 -1.023 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001268764553 785475235 /nfs/dbraw/zinc/47/52/35/785475235.db2.gz PDJNOFJZXZHEKY-CHWSQXEVSA-N 1 0 333.396 -1.313 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001268764559 785475322 /nfs/dbraw/zinc/47/53/22/785475322.db2.gz PDJNOFJZXZHEKY-OLZOCXBDSA-N 1 0 333.396 -1.313 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001268764562 785475242 /nfs/dbraw/zinc/47/52/42/785475242.db2.gz PDJNOFJZXZHEKY-QWHCGFSZSA-N 1 0 333.396 -1.313 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001268764565 785474743 /nfs/dbraw/zinc/47/47/43/785474743.db2.gz PDJNOFJZXZHEKY-STQMWFEESA-N 1 0 333.396 -1.313 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1COCCO1 ZINC001268781345 785475383 /nfs/dbraw/zinc/47/53/83/785475383.db2.gz BZMCXFAUQCUULU-GFCCVEGCSA-N 1 0 342.396 -1.148 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1COCCO1 ZINC001268781346 785475408 /nfs/dbraw/zinc/47/54/08/785475408.db2.gz BZMCXFAUQCUULU-LBPRGKRZSA-N 1 0 342.396 -1.148 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001268789860 785475150 /nfs/dbraw/zinc/47/51/50/785475150.db2.gz DEQNDAAPZUMHTA-JTQLQIEISA-N 1 0 341.368 -1.455 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001268789861 785474934 /nfs/dbraw/zinc/47/49/34/785474934.db2.gz DEQNDAAPZUMHTA-SNVBAGLBSA-N 1 0 341.368 -1.455 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)c1ncn(C)n1 ZINC001268792513 785475257 /nfs/dbraw/zinc/47/52/57/785475257.db2.gz WGBXFQDJGXFAON-UHFFFAOYSA-N 1 0 337.384 -1.121 20 30 EAEDRO C[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)N1C(=O)CCC1=O ZINC001268795736 785476482 /nfs/dbraw/zinc/47/64/82/785476482.db2.gz LZDZTMRVCCDONO-LLVKDONJSA-N 1 0 337.380 -1.398 20 30 EAEDRO C[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)N1C(=O)CCC1=O ZINC001268795740 785476488 /nfs/dbraw/zinc/47/64/88/785476488.db2.gz LZDZTMRVCCDONO-NSHDSACASA-N 1 0 337.380 -1.398 20 30 EAEDRO COCC#CC[NH2+]CCCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001268796273 785476500 /nfs/dbraw/zinc/47/65/00/785476500.db2.gz RGOWSKXOVQOSLE-UHFFFAOYSA-N 1 0 336.392 -1.365 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001268798349 785476203 /nfs/dbraw/zinc/47/62/03/785476203.db2.gz GQVIZGHAPUTAJD-GFCCVEGCSA-N 1 0 333.392 -1.030 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001268798350 785475892 /nfs/dbraw/zinc/47/58/92/785475892.db2.gz GQVIZGHAPUTAJD-LBPRGKRZSA-N 1 0 333.392 -1.030 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268798381 785476431 /nfs/dbraw/zinc/47/64/31/785476431.db2.gz HFJSWTUNVYJEQZ-MNOVXSKESA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268798382 785476654 /nfs/dbraw/zinc/47/66/54/785476654.db2.gz HFJSWTUNVYJEQZ-QWRGUYRKSA-N 1 0 337.380 -1.840 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CCOCC1=O ZINC001268798974 785476507 /nfs/dbraw/zinc/47/65/07/785476507.db2.gz RXUQUZRUOKEPBV-CYBMUJFWSA-N 1 0 338.408 -1.579 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CCOCC1=O ZINC001268798976 785476262 /nfs/dbraw/zinc/47/62/62/785476262.db2.gz RXUQUZRUOKEPBV-ZDUSSCGKSA-N 1 0 338.408 -1.579 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001268802321 785476774 /nfs/dbraw/zinc/47/67/74/785476774.db2.gz QKEXMWXGLHOBCO-NEPJUHHUSA-N 1 0 331.438 -1.005 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001268802322 785476199 /nfs/dbraw/zinc/47/61/99/785476199.db2.gz QKEXMWXGLHOBCO-NWDGAFQWSA-N 1 0 331.438 -1.005 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001268802323 785476680 /nfs/dbraw/zinc/47/66/80/785476680.db2.gz QKEXMWXGLHOBCO-RYUDHWBXSA-N 1 0 331.438 -1.005 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001268802324 785475921 /nfs/dbraw/zinc/47/59/21/785475921.db2.gz QKEXMWXGLHOBCO-VXGBXAGGSA-N 1 0 331.438 -1.005 20 30 EAEDRO CCN1CCOC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001268802350 785476554 /nfs/dbraw/zinc/47/65/54/785476554.db2.gz SGHOQPGSNANLLN-CYBMUJFWSA-N 1 0 325.413 -1.215 20 30 EAEDRO CCN1CCOC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001268802351 785476078 /nfs/dbraw/zinc/47/60/78/785476078.db2.gz SGHOQPGSNANLLN-ZDUSSCGKSA-N 1 0 325.413 -1.215 20 30 EAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268803547 785475855 /nfs/dbraw/zinc/47/58/55/785475855.db2.gz LJRPJTAYTOEHJD-LLVKDONJSA-N 1 0 349.395 -1.376 20 30 EAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001268803548 785475975 /nfs/dbraw/zinc/47/59/75/785475975.db2.gz LJRPJTAYTOEHJD-NSHDSACASA-N 1 0 349.395 -1.376 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268804679 785476368 /nfs/dbraw/zinc/47/63/68/785476368.db2.gz LIJDCFBQZKDINL-GFCCVEGCSA-N 1 0 349.391 -1.475 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001268804680 785476339 /nfs/dbraw/zinc/47/63/39/785476339.db2.gz LIJDCFBQZKDINL-LBPRGKRZSA-N 1 0 349.391 -1.475 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001268813240 785477799 /nfs/dbraw/zinc/47/77/99/785477799.db2.gz RJNNAOKUZJCQQU-CYBMUJFWSA-N 1 0 337.424 -2.006 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001268813241 785477467 /nfs/dbraw/zinc/47/74/67/785477467.db2.gz RJNNAOKUZJCQQU-ZDUSSCGKSA-N 1 0 337.424 -2.006 20 30 EAEDRO C=CCOCC[NH+]1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001268833155 785478493 /nfs/dbraw/zinc/47/84/93/785478493.db2.gz GHSRWKQNVHDQET-UHFFFAOYSA-N 1 0 336.392 -1.202 20 30 EAEDRO Cc1cc(C)n(CC(=O)N(C)CCC[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001268893764 785482733 /nfs/dbraw/zinc/48/27/33/785482733.db2.gz GMXGMXAHZILCAG-UHFFFAOYSA-N 1 0 348.407 -1.062 20 30 EAEDRO C#CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001268942133 785487192 /nfs/dbraw/zinc/48/71/92/785487192.db2.gz KRPVWUCXYGSVGW-CHWSQXEVSA-N 1 0 332.404 -1.253 20 30 EAEDRO C#CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001268942134 785487069 /nfs/dbraw/zinc/48/70/69/785487069.db2.gz KRPVWUCXYGSVGW-STQMWFEESA-N 1 0 332.404 -1.253 20 30 EAEDRO CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954878 785487853 /nfs/dbraw/zinc/48/78/53/785487853.db2.gz SRIUNIHDNVCKHJ-CYBMUJFWSA-N 1 0 325.413 -1.215 20 30 EAEDRO CCN1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954879 785487938 /nfs/dbraw/zinc/48/79/38/785487938.db2.gz SRIUNIHDNVCKHJ-ZDUSSCGKSA-N 1 0 325.413 -1.215 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268969365 785487979 /nfs/dbraw/zinc/48/79/79/785487979.db2.gz ULCAUXWOCBLLQO-NEPJUHHUSA-N 1 0 336.392 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337.380 -2.031 20 30 EAEDRO C[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1)S(C)(=O)=O ZINC001269084028 785503482 /nfs/dbraw/zinc/50/34/82/785503482.db2.gz IWMSNXAVIZUZCO-GXSJLCMTSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1)S(C)(=O)=O ZINC001269084029 785503603 /nfs/dbraw/zinc/50/36/03/785503603.db2.gz IWMSNXAVIZUZCO-KOLCDFICSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1)S(C)(=O)=O ZINC001269084030 785503949 /nfs/dbraw/zinc/50/39/49/785503949.db2.gz IWMSNXAVIZUZCO-MWLCHTKSSA-N 1 0 330.410 -1.456 20 30 EAEDRO C[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1)S(C)(=O)=O ZINC001269084031 785503861 /nfs/dbraw/zinc/50/38/61/785503861.db2.gz IWMSNXAVIZUZCO-ONGXEEELSA-N 1 0 330.410 -1.456 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001269088589 785503438 /nfs/dbraw/zinc/50/34/38/785503438.db2.gz DJHDAFSRMMKODH-CHWSQXEVSA-N 1 0 341.433 -1.345 20 30 EAEDRO 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C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001269388012 785538034 /nfs/dbraw/zinc/53/80/34/785538034.db2.gz DJUHNWUSDBNNRM-SNVBAGLBSA-N 1 0 337.380 -1.485 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)C1CS(=O)(=O)C1 ZINC001269408306 785538451 /nfs/dbraw/zinc/53/84/51/785538451.db2.gz MXPFEERQPZMEQE-CMPLNLGQSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)C1CS(=O)(=O)C1 ZINC001269408307 785538307 /nfs/dbraw/zinc/53/83/07/785538307.db2.gz MXPFEERQPZMEQE-JQWIXIFHSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C1CS(=O)(=O)C1 ZINC001269408308 785538592 /nfs/dbraw/zinc/53/85/92/785538592.db2.gz MXPFEERQPZMEQE-PWSUYJOCSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)C1CS(=O)(=O)C1 ZINC001269408309 785538516 /nfs/dbraw/zinc/53/85/16/785538516.db2.gz MXPFEERQPZMEQE-ZYHUDNBSSA-N 1 0 329.422 -1.347 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001269412394 785539146 /nfs/dbraw/zinc/53/91/46/785539146.db2.gz HCOILLMIWFEBQO-NEPJUHHUSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001269412395 785539726 /nfs/dbraw/zinc/53/97/26/785539726.db2.gz HCOILLMIWFEBQO-NWDGAFQWSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001269412396 785539254 /nfs/dbraw/zinc/53/92/54/785539254.db2.gz HCOILLMIWFEBQO-RYUDHWBXSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001269412397 785539571 /nfs/dbraw/zinc/53/95/71/785539571.db2.gz HCOILLMIWFEBQO-VXGBXAGGSA-N 1 0 336.392 -1.242 20 30 EAEDRO COCC#CC[NH2+]C1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001269422594 785539125 /nfs/dbraw/zinc/53/91/25/785539125.db2.gz HJKATVSBLQWGTI-UHFFFAOYSA-N 1 0 334.376 -1.565 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001269423491 785540126 /nfs/dbraw/zinc/54/01/26/785540126.db2.gz YNIKQEKSZMKWPZ-NEPJUHHUSA-N 1 0 348.403 -1.100 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001269423492 785539534 /nfs/dbraw/zinc/53/95/34/785539534.db2.gz YNIKQEKSZMKWPZ-NWDGAFQWSA-N 1 0 348.403 -1.100 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001269423493 785539327 /nfs/dbraw/zinc/53/93/27/785539327.db2.gz YNIKQEKSZMKWPZ-RYUDHWBXSA-N 1 0 348.403 -1.100 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001269423494 785540088 /nfs/dbraw/zinc/54/00/88/785540088.db2.gz YNIKQEKSZMKWPZ-VXGBXAGGSA-N 1 0 348.403 -1.100 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269432190 785539026 /nfs/dbraw/zinc/53/90/26/785539026.db2.gz JWVVLOQFIWXHDC-NEPJUHHUSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269432191 785540064 /nfs/dbraw/zinc/54/00/64/785540064.db2.gz JWVVLOQFIWXHDC-NWDGAFQWSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269432192 785539491 /nfs/dbraw/zinc/53/94/91/785539491.db2.gz JWVVLOQFIWXHDC-RYUDHWBXSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269432193 785540315 /nfs/dbraw/zinc/54/03/15/785540315.db2.gz JWVVLOQFIWXHDC-VXGBXAGGSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269433009 785540259 /nfs/dbraw/zinc/54/02/59/785540259.db2.gz QCBBQLSPGNKAFA-LLVKDONJSA-N 1 0 335.364 -1.817 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001269433012 785540149 /nfs/dbraw/zinc/54/01/49/785540149.db2.gz QCBBQLSPGNKAFA-NSHDSACASA-N 1 0 335.364 -1.817 20 30 EAEDRO COc1cc(OC)nc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)n1 ZINC001269438014 785539503 /nfs/dbraw/zinc/53/95/03/785539503.db2.gz YDLBHQSXQBYOIE-UHFFFAOYSA-N 1 0 348.363 -1.014 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001269446212 785540984 /nfs/dbraw/zinc/54/09/84/785540984.db2.gz AOCMGZJVSQJBSQ-LLVKDONJSA-N 1 0 349.391 -1.122 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001269446217 785541549 /nfs/dbraw/zinc/54/15/49/785541549.db2.gz AOCMGZJVSQJBSQ-NSHDSACASA-N 1 0 349.391 -1.122 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)CCN2C(=O)CCC2=O)CC1 ZINC001269446269 785540681 /nfs/dbraw/zinc/54/06/81/785540681.db2.gz AZFDEQYTGDFSFF-UHFFFAOYSA-N 1 0 335.364 -1.596 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2ccc3nnnn3c2)CC1 ZINC001269451086 785542718 /nfs/dbraw/zinc/54/27/18/785542718.db2.gz KPFQTZLBBWRRQI-UHFFFAOYSA-N 1 0 327.348 -1.274 20 30 EAEDRO COc1c[nH]c(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)cc1=O ZINC001269451389 785542121 /nfs/dbraw/zinc/54/21/21/785542121.db2.gz PDBHZVKUJKZVQZ-UHFFFAOYSA-N 1 0 333.348 -1.125 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CCn2ncn(C)c2=O)CC1 ZINC001269460407 785542193 /nfs/dbraw/zinc/54/21/93/785542193.db2.gz SUVWPHNPRAEIRL-GFCCVEGCSA-N 1 0 348.407 -1.652 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CCn2ncn(C)c2=O)CC1 ZINC001269460408 785541885 /nfs/dbraw/zinc/54/18/85/785541885.db2.gz SUVWPHNPRAEIRL-LBPRGKRZSA-N 1 0 348.407 -1.652 20 30 EAEDRO COCC#CC[NH2+]C1(CNC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001269489598 785543612 /nfs/dbraw/zinc/54/36/12/785543612.db2.gz SISKROLFBRHPRF-UHFFFAOYSA-N 1 0 341.393 -1.441 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001269497839 785543658 /nfs/dbraw/zinc/54/36/58/785543658.db2.gz VRRLCOCQRGFRRU-JTQLQIEISA-N 1 0 330.410 -2.088 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001269497840 785543683 /nfs/dbraw/zinc/54/36/83/785543683.db2.gz VRRLCOCQRGFRRU-SNVBAGLBSA-N 1 0 330.410 -2.088 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001269498072 785544170 /nfs/dbraw/zinc/54/41/70/785544170.db2.gz NIBJYGKHOGHTIJ-MNOVXSKESA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001269498073 785543860 /nfs/dbraw/zinc/54/38/60/785543860.db2.gz NIBJYGKHOGHTIJ-QWRGUYRKSA-N 1 0 339.396 -1.239 20 30 EAEDRO COCC#CC[NH2+]C1(CNC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001269501810 785543744 /nfs/dbraw/zinc/54/37/44/785543744.db2.gz DXTVSMCAAGTUHT-UHFFFAOYSA-N 1 0 344.375 -1.221 20 30 EAEDRO CC[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)[NH2+]CC(=O)NCC#N ZINC001269503173 785544575 /nfs/dbraw/zinc/54/45/75/785544575.db2.gz PQCLKZINZSJYGZ-LLVKDONJSA-N 1 0 337.384 -1.986 20 30 EAEDRO CC[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)[NH2+]CC(=O)NCC#N ZINC001269503174 785543595 /nfs/dbraw/zinc/54/35/95/785543595.db2.gz PQCLKZINZSJYGZ-NSHDSACASA-N 1 0 337.384 -1.986 20 30 EAEDRO CC(C)c1nnnn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269506142 785544151 /nfs/dbraw/zinc/54/41/51/785544151.db2.gz RMTVASRDXOYWKN-UHFFFAOYSA-N 1 0 334.384 -1.325 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2ccc(=O)n(CC)n2)CC1 ZINC001269508249 785544657 /nfs/dbraw/zinc/54/46/57/785544657.db2.gz HNGHXIPRFAZOQB-UHFFFAOYSA-N 1 0 331.376 -1.135 20 30 EAEDRO COCC#CC[NH2+]C1(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001269518766 785545602 /nfs/dbraw/zinc/54/56/02/785545602.db2.gz NGAXTFMWSNNVCA-GFCCVEGCSA-N 1 0 349.395 -1.934 20 30 EAEDRO Cc1nn(CC(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)c(=O)n1C ZINC001269530494 785546404 /nfs/dbraw/zinc/54/64/04/785546404.db2.gz MSDFGUJIOAPDHM-UHFFFAOYSA-N 1 0 335.368 -2.232 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001269540660 785546180 /nfs/dbraw/zinc/54/61/80/785546180.db2.gz IPKSWMCUOXVZRO-GHMZBOCLSA-N 1 0 342.421 -1.946 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001269540661 785546604 /nfs/dbraw/zinc/54/66/04/785546604.db2.gz IPKSWMCUOXVZRO-MNOVXSKESA-N 1 0 342.421 -1.946 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001269540662 785546881 /nfs/dbraw/zinc/54/68/81/785546881.db2.gz IPKSWMCUOXVZRO-QWRGUYRKSA-N 1 0 342.421 -1.946 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001269540663 785546814 /nfs/dbraw/zinc/54/68/14/785546814.db2.gz IPKSWMCUOXVZRO-WDEREUQCSA-N 1 0 342.421 -1.946 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CC1 ZINC001269540723 785546828 /nfs/dbraw/zinc/54/68/28/785546828.db2.gz KSEBZDADNMEELR-JTQLQIEISA-N 1 0 330.410 -2.088 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CC1 ZINC001269540724 785546261 /nfs/dbraw/zinc/54/62/61/785546261.db2.gz KSEBZDADNMEELR-SNVBAGLBSA-N 1 0 330.410 -2.088 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001269540780 785546154 /nfs/dbraw/zinc/54/61/54/785546154.db2.gz MQYFBYSIVQKBNZ-LLVKDONJSA-N 1 0 331.380 -1.281 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001269540781 785546450 /nfs/dbraw/zinc/54/64/50/785546450.db2.gz MQYFBYSIVQKBNZ-NSHDSACASA-N 1 0 331.380 -1.281 20 30 EAEDRO C[C@@H](CS(C)(=O)=O)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269544978 785546168 /nfs/dbraw/zinc/54/61/68/785546168.db2.gz ZMWNKEBPUOQSGK-JTQLQIEISA-N 1 0 330.410 -1.455 20 30 EAEDRO C[C@H](CS(C)(=O)=O)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269544979 785546272 /nfs/dbraw/zinc/54/62/72/785546272.db2.gz ZMWNKEBPUOQSGK-SNVBAGLBSA-N 1 0 330.410 -1.455 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001269548657 785546544 /nfs/dbraw/zinc/54/65/44/785546544.db2.gz QCCLGYBISXNSNG-GHMZBOCLSA-N 1 0 336.392 -1.032 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001269548658 785546693 /nfs/dbraw/zinc/54/66/93/785546693.db2.gz QCCLGYBISXNSNG-MNOVXSKESA-N 1 0 336.392 -1.032 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001269548659 785546237 /nfs/dbraw/zinc/54/62/37/785546237.db2.gz QCCLGYBISXNSNG-QWRGUYRKSA-N 1 0 336.392 -1.032 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001269548660 785546643 /nfs/dbraw/zinc/54/66/43/785546643.db2.gz QCCLGYBISXNSNG-WDEREUQCSA-N 1 0 336.392 -1.032 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001269548943 785547062 /nfs/dbraw/zinc/54/70/62/785547062.db2.gz XVXCNCGULDQZDT-NEPJUHHUSA-N 1 0 335.408 -1.094 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001269548944 785546620 /nfs/dbraw/zinc/54/66/20/785546620.db2.gz XVXCNCGULDQZDT-RYUDHWBXSA-N 1 0 335.408 -1.094 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001269570806 785548863 /nfs/dbraw/zinc/54/88/63/785548863.db2.gz SQROGOZQQFUYMH-GSPSYOTPSA-N 1 0 347.419 -1.081 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001269570807 785549210 /nfs/dbraw/zinc/54/92/10/785549210.db2.gz SQROGOZQQFUYMH-WTUNAVPPSA-N 1 0 347.419 -1.081 20 30 EAEDRO Cn1cc(C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)n(C)c1=O ZINC001269592117 785552836 /nfs/dbraw/zinc/55/28/36/785552836.db2.gz QTSHLUPZQATTCG-UHFFFAOYSA-N 1 0 348.407 -1.004 20 30 EAEDRO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001269601595 785553153 /nfs/dbraw/zinc/55/31/53/785553153.db2.gz KYUWCJCIPTZLJB-MJBXVCDLSA-N 1 0 345.407 -1.124 20 30 EAEDRO COCC#CC[NH2+]C[C@](C)(NC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001269615803 785552578 /nfs/dbraw/zinc/55/25/78/785552578.db2.gz ZPIRFIOHVUMUPD-INIZCTEOSA-N 1 0 348.407 -1.099 20 30 EAEDRO COCC#CC[NH2+]C[C@@](C)(NC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001269615804 785552993 /nfs/dbraw/zinc/55/29/93/785552993.db2.gz ZPIRFIOHVUMUPD-MRXNPFEDSA-N 1 0 348.407 -1.099 20 30 EAEDRO CN1C[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)CC1=O ZINC001269620091 785554249 /nfs/dbraw/zinc/55/42/49/785554249.db2.gz YTOCBLFWAPTODG-BDJLRTHQSA-N 1 0 335.408 -1.021 20 30 EAEDRO CN1C[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)CC1=O ZINC001269620092 785554311 /nfs/dbraw/zinc/55/43/11/785554311.db2.gz YTOCBLFWAPTODG-BZNIZROVSA-N 1 0 335.408 -1.021 20 30 EAEDRO CN1C[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)CC1=O ZINC001269620093 785553772 /nfs/dbraw/zinc/55/37/72/785553772.db2.gz YTOCBLFWAPTODG-MEDUHNTESA-N 1 0 335.408 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ZINC001269649319 785555326 /nfs/dbraw/zinc/55/53/26/785555326.db2.gz DIILSRKGHPSYRM-UHFFFAOYSA-N 1 0 348.407 -1.050 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001269651404 785556162 /nfs/dbraw/zinc/55/61/62/785556162.db2.gz GNPQYEFVOFUZNH-KRWDZBQOSA-N 1 0 347.419 -1.039 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001269651405 785555769 /nfs/dbraw/zinc/55/57/69/785555769.db2.gz GNPQYEFVOFUZNH-QGZVFWFLSA-N 1 0 347.419 -1.039 20 30 EAEDRO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001269738020 785558085 /nfs/dbraw/zinc/55/80/85/785558085.db2.gz XPDFVVKDKUYGSH-AWEZNQCLSA-N 1 0 328.438 -1.012 20 30 EAEDRO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001269738024 785558373 /nfs/dbraw/zinc/55/83/73/785558373.db2.gz XPDFVVKDKUYGSH-CQSZACIVSA-N 1 0 328.438 -1.012 20 30 EAEDRO N#CCNC(=O)CN1CC[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001269744543 785558019 /nfs/dbraw/zinc/55/80/19/785558019.db2.gz DBZSSGRIDFWBIZ-HNNXBMFYSA-N 1 0 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C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001271217942 785680959 /nfs/dbraw/zinc/68/09/59/785680959.db2.gz WEXRDEPHXIBLEL-RYUDHWBXSA-N 1 0 333.396 -1.083 20 30 EAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001271217944 785680430 /nfs/dbraw/zinc/68/04/30/785680430.db2.gz WEXRDEPHXIBLEL-VXGBXAGGSA-N 1 0 333.396 -1.083 20 30 EAEDRO C=CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001271218562 785680280 /nfs/dbraw/zinc/68/02/80/785680280.db2.gz BGOSIRJPFVHFOC-INIZCTEOSA-N 1 0 349.391 -1.751 20 30 EAEDRO C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001271218563 785681257 /nfs/dbraw/zinc/68/12/57/785681257.db2.gz BGOSIRJPFVHFOC-MRXNPFEDSA-N 1 0 349.391 -1.751 20 30 EAEDRO C#CCNC(=O)CN1CC[C@](O)(CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001271220706 785681294 /nfs/dbraw/zinc/68/12/94/785681294.db2.gz QDWOMWZXUDUJTD-KRWDZBQOSA-N 1 0 347.419 -1.129 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001271220707 785680611 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EAEDRO C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001271228998 785683417 /nfs/dbraw/zinc/68/34/17/785683417.db2.gz QSVKATVREVGXSD-OAHLLOKOSA-N 1 0 336.396 -1.104 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001271229796 785683161 /nfs/dbraw/zinc/68/31/61/785683161.db2.gz XDLXUUGWYOYFTH-INIZCTEOSA-N 1 0 336.392 -1.460 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001271229797 785683217 /nfs/dbraw/zinc/68/32/17/785683217.db2.gz XDLXUUGWYOYFTH-MRXNPFEDSA-N 1 0 336.392 -1.460 20 30 EAEDRO N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001271367714 785697761 /nfs/dbraw/zinc/69/77/61/785697761.db2.gz CNRFYXRPWXDGDX-KBPBESRZSA-N 1 0 349.435 -1.194 20 30 EAEDRO N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001271367717 785697616 /nfs/dbraw/zinc/69/76/16/785697616.db2.gz CNRFYXRPWXDGDX-KGLIPLIRSA-N 1 0 349.435 -1.194 20 30 EAEDRO N#CCNC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001271367718 785698355 /nfs/dbraw/zinc/69/83/55/785698355.db2.gz CNRFYXRPWXDGDX-UONOGXRCSA-N 1 0 349.435 -1.194 20 30 EAEDRO N#CCNC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001271367719 785697886 /nfs/dbraw/zinc/69/78/86/785697886.db2.gz CNRFYXRPWXDGDX-ZIAGYGMSSA-N 1 0 349.435 -1.194 20 30 EAEDRO C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001271380048 785699951 /nfs/dbraw/zinc/69/99/51/785699951.db2.gz DYENBBNDNSCAKW-INIZCTEOSA-N 1 0 334.420 -1.615 20 30 EAEDRO CC(C)[C@H](C(=O)NCC1(O)CN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001271381167 785700794 /nfs/dbraw/zinc/70/07/94/785700794.db2.gz XDUXPZLRDMWCBK-CYBMUJFWSA-N 1 0 325.413 -1.625 20 30 EAEDRO CC(C)[C@@H](C(=O)NCC1(O)CN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001271381169 785700962 /nfs/dbraw/zinc/70/09/62/785700962.db2.gz XDUXPZLRDMWCBK-ZDUSSCGKSA-N 1 0 325.413 -1.625 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCC2(O)CN(C[C@@H](O)COC)C2)CC1 ZINC001271393374 785702283 /nfs/dbraw/zinc/70/22/83/785702283.db2.gz NXIIGFRWXNKZEH-OAHLLOKOSA-N 1 0 339.436 -1.498 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)CC1 ZINC001271393681 785702049 /nfs/dbraw/zinc/70/20/49/785702049.db2.gz PUTHNXHSZPTMDT-UHFFFAOYSA-N 1 0 348.447 -1.227 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NCC2(O)CN(CC(=O)NCC#N)C2)CC1 ZINC001271394341 785702808 /nfs/dbraw/zinc/70/28/08/785702808.db2.gz ZRNNESYUKGCCTB-UHFFFAOYSA-N 1 0 347.419 -1.866 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001271395277 785701964 /nfs/dbraw/zinc/70/19/64/785701964.db2.gz NSFKYHFKKBMDBQ-CHWSQXEVSA-N 1 0 348.407 -1.147 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001271395278 785702664 /nfs/dbraw/zinc/70/26/64/785702664.db2.gz NSFKYHFKKBMDBQ-OLZOCXBDSA-N 1 0 348.407 -1.147 20 30 EAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001271395279 785702008 /nfs/dbraw/zinc/70/20/08/785702008.db2.gz NSFKYHFKKBMDBQ-QWHCGFSZSA-N 1 0 348.407 -1.147 20 30 EAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001271395280 785702003 /nfs/dbraw/zinc/70/20/03/785702003.db2.gz NSFKYHFKKBMDBQ-STQMWFEESA-N 1 0 348.407 -1.147 20 30 EAEDRO CNC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC#N)C2 ZINC001271414234 785703738 /nfs/dbraw/zinc/70/37/38/785703738.db2.gz JGIHXMYPJKCIPY-SRVKXCTJSA-N 1 0 336.396 -1.476 20 30 EAEDRO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC#N)C2 ZINC001271414238 785703669 /nfs/dbraw/zinc/70/36/69/785703669.db2.gz JGIHXMYPJKCIPY-TUAOUCFPSA-N 1 0 336.396 -1.476 20 30 EAEDRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271435406 785706068 /nfs/dbraw/zinc/70/60/68/785706068.db2.gz FKGDSANRGBMYTD-NEPJUHHUSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271435407 785705851 /nfs/dbraw/zinc/70/58/51/785705851.db2.gz FKGDSANRGBMYTD-NWDGAFQWSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271435408 785705363 /nfs/dbraw/zinc/70/53/63/785705363.db2.gz FKGDSANRGBMYTD-RYUDHWBXSA-N 1 0 334.384 -1.470 20 30 EAEDRO C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271435409 785705386 /nfs/dbraw/zinc/70/53/86/785705386.db2.gz FKGDSANRGBMYTD-VXGBXAGGSA-N 1 0 334.384 -1.470 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271471065 785714888 /nfs/dbraw/zinc/71/48/88/785714888.db2.gz NZLUTBGPNLKNDV-GHMZBOCLSA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271471066 785715333 /nfs/dbraw/zinc/71/53/33/785715333.db2.gz NZLUTBGPNLKNDV-MNOVXSKESA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271471067 785714914 /nfs/dbraw/zinc/71/49/14/785714914.db2.gz NZLUTBGPNLKNDV-QWRGUYRKSA-N 1 0 339.396 -1.300 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001271471068 785714929 /nfs/dbraw/zinc/71/49/29/785714929.db2.gz NZLUTBGPNLKNDV-WDEREUQCSA-N 1 0 339.396 -1.300 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001271472880 785714996 /nfs/dbraw/zinc/71/49/96/785714996.db2.gz XKZKXGQNXPMWSH-NEPJUHHUSA-N 1 0 329.422 -1.393 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001271472882 785715254 /nfs/dbraw/zinc/71/52/54/785715254.db2.gz XKZKXGQNXPMWSH-NWDGAFQWSA-N 1 0 329.422 -1.393 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001271472884 785715341 /nfs/dbraw/zinc/71/53/41/785715341.db2.gz XKZKXGQNXPMWSH-RYUDHWBXSA-N 1 0 329.422 -1.393 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001271472885 785715226 /nfs/dbraw/zinc/71/52/26/785715226.db2.gz XKZKXGQNXPMWSH-VXGBXAGGSA-N 1 0 329.422 -1.393 20 30 EAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001271517263 785719061 /nfs/dbraw/zinc/71/90/61/785719061.db2.gz DBUKQUAMZRNHBC-GHMZBOCLSA-N 1 0 332.364 -1.150 20 30 EAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 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C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(C)[nH]c1=O ZINC001272265517 785838430 /nfs/dbraw/zinc/83/84/30/785838430.db2.gz QYWTXAOLQCFBMH-UHFFFAOYSA-N 1 0 334.376 -1.131 20 30 EAEDRO Cn1cnc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)cc1=O ZINC001272269214 785844996 /nfs/dbraw/zinc/84/49/96/785844996.db2.gz CTHCLVFYFAZJQC-NEPJUHHUSA-N 1 0 346.391 -1.092 20 30 EAEDRO Cn1cnc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(=O)NCC#N)cc1=O ZINC001272269218 785846311 /nfs/dbraw/zinc/84/63/11/785846311.db2.gz CTHCLVFYFAZJQC-NWDGAFQWSA-N 1 0 346.391 -1.092 20 30 EAEDRO Cn1cnc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(=O)NCC#N)cc1=O ZINC001272269220 785846501 /nfs/dbraw/zinc/84/65/01/785846501.db2.gz CTHCLVFYFAZJQC-RYUDHWBXSA-N 1 0 346.391 -1.092 20 30 EAEDRO Cn1cnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)cc1=O ZINC001272269221 785845812 /nfs/dbraw/zinc/84/58/12/785845812.db2.gz CTHCLVFYFAZJQC-VXGBXAGGSA-N 1 0 346.391 -1.092 20 30 EAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272270364 785870859 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785968747 /nfs/dbraw/zinc/96/87/47/785968747.db2.gz ZNLBSGKRIZETNT-LBPRGKRZSA-N 1 0 333.348 -1.284 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001272401880 785969924 /nfs/dbraw/zinc/96/99/24/785969924.db2.gz PCESKQXSNFBSPX-CHWSQXEVSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001272401883 785969790 /nfs/dbraw/zinc/96/97/90/785969790.db2.gz PCESKQXSNFBSPX-OLZOCXBDSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001272401885 785970411 /nfs/dbraw/zinc/97/04/11/785970411.db2.gz PCESKQXSNFBSPX-QWHCGFSZSA-N 1 0 335.408 -1.019 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001272401888 785969823 /nfs/dbraw/zinc/96/98/23/785969823.db2.gz PCESKQXSNFBSPX-STQMWFEESA-N 1 0 335.408 -1.019 20 30 EAEDRO Cn1ncc(Cl)c1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272414323 785971053 /nfs/dbraw/zinc/97/10/53/785971053.db2.gz NXLRJSUZAQEGPA-MRVPVSSYSA-N 1 0 328.760 -1.606 20 30 EAEDRO Cn1ncc(Cl)c1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272414324 785971814 /nfs/dbraw/zinc/97/18/14/785971814.db2.gz NXLRJSUZAQEGPA-QMMMGPOBSA-N 1 0 328.760 -1.606 20 30 EAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001272414483 785971392 /nfs/dbraw/zinc/97/13/92/785971392.db2.gz PDHJNIZCCNDAEH-GHMZBOCLSA-N 1 0 326.397 -1.053 20 30 EAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001272414484 785971680 /nfs/dbraw/zinc/97/16/80/785971680.db2.gz PDHJNIZCCNDAEH-MNOVXSKESA-N 1 0 326.397 -1.053 20 30 EAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001272414485 785971842 /nfs/dbraw/zinc/97/18/42/785971842.db2.gz PDHJNIZCCNDAEH-QWRGUYRKSA-N 1 0 326.397 -1.053 20 30 EAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001272414486 785971124 /nfs/dbraw/zinc/97/11/24/785971124.db2.gz PDHJNIZCCNDAEH-WDEREUQCSA-N 1 0 326.397 -1.053 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)c1ccncc1 ZINC001272424677 785971574 /nfs/dbraw/zinc/97/15/74/785971574.db2.gz AADJAXVMAJQXON-AWEZNQCLSA-N 1 0 334.376 -1.472 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)c1ccncc1 ZINC001272424678 785971765 /nfs/dbraw/zinc/97/17/65/785971765.db2.gz AADJAXVMAJQXON-CQSZACIVSA-N 1 0 334.376 -1.472 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001272425669 785971355 /nfs/dbraw/zinc/97/13/55/785971355.db2.gz PNDPISWCPPDQCN-GHMZBOCLSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001272425670 785970951 /nfs/dbraw/zinc/97/09/51/785970951.db2.gz PNDPISWCPPDQCN-MNOVXSKESA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001272425671 785970862 /nfs/dbraw/zinc/97/08/62/785970862.db2.gz PNDPISWCPPDQCN-QWRGUYRKSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001272425672 785970937 /nfs/dbraw/zinc/97/09/37/785970937.db2.gz PNDPISWCPPDQCN-WDEREUQCSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc2n[nH]nc21 ZINC001272426918 785970791 /nfs/dbraw/zinc/97/07/91/785970791.db2.gz XWIDZHNNXDZAAC-JTQLQIEISA-N 1 0 330.348 -1.612 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2n[nH]nc21 ZINC001272426919 785971140 /nfs/dbraw/zinc/97/11/40/785971140.db2.gz XWIDZHNNXDZAAC-SNVBAGLBSA-N 1 0 330.348 -1.612 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001272434280 785971771 /nfs/dbraw/zinc/97/17/71/785971771.db2.gz DHHMZAOTKFXCRY-NEPJUHHUSA-N 1 0 347.437 -1.677 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001272434284 785971586 /nfs/dbraw/zinc/97/15/86/785971586.db2.gz DHHMZAOTKFXCRY-NWDGAFQWSA-N 1 0 347.437 -1.677 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001272434285 785971093 /nfs/dbraw/zinc/97/10/93/785971093.db2.gz DHHMZAOTKFXCRY-RYUDHWBXSA-N 1 0 347.437 -1.677 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001272434287 785971869 /nfs/dbraw/zinc/97/18/69/785971869.db2.gz DHHMZAOTKFXCRY-VXGBXAGGSA-N 1 0 347.437 -1.677 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c(F)cncc1F ZINC001272434425 785972804 /nfs/dbraw/zinc/97/28/04/785972804.db2.gz DXGYXEKOQHKIIH-MRVPVSSYSA-N 1 0 327.291 -1.320 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(F)cncc1F ZINC001272434426 785972352 /nfs/dbraw/zinc/97/23/52/785972352.db2.gz DXGYXEKOQHKIIH-QMMMGPOBSA-N 1 0 327.291 -1.320 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cnn2ccccc12 ZINC001272441988 785972363 /nfs/dbraw/zinc/97/23/63/785972363.db2.gz BSBCJHQYVZQUCP-AWEZNQCLSA-N 1 0 343.387 -1.307 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cnn2ccccc12 ZINC001272441989 785972528 /nfs/dbraw/zinc/97/25/28/785972528.db2.gz BSBCJHQYVZQUCP-CQSZACIVSA-N 1 0 343.387 -1.307 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCCC2 ZINC001272444702 785974188 /nfs/dbraw/zinc/97/41/88/785974188.db2.gz WIMFJZZMGYIGJG-GFCCVEGCSA-N 1 0 334.380 -1.461 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCCC2 ZINC001272444711 785974444 /nfs/dbraw/zinc/97/44/44/785974444.db2.gz WIMFJZZMGYIGJG-LBPRGKRZSA-N 1 0 334.380 -1.461 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001272445051 785974355 /nfs/dbraw/zinc/97/43/55/785974355.db2.gz XSUYGUWVEYBWFX-NEPJUHHUSA-N 1 0 340.380 -2.950 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001272445056 785974594 /nfs/dbraw/zinc/97/45/94/785974594.db2.gz XSUYGUWVEYBWFX-NWDGAFQWSA-N 1 0 340.380 -2.950 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001272445058 785973948 /nfs/dbraw/zinc/97/39/48/785973948.db2.gz XSUYGUWVEYBWFX-RYUDHWBXSA-N 1 0 340.380 -2.950 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001272445061 785974558 /nfs/dbraw/zinc/97/45/58/785974558.db2.gz XSUYGUWVEYBWFX-VXGBXAGGSA-N 1 0 340.380 -2.950 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001272445267 785974329 /nfs/dbraw/zinc/97/43/29/785974329.db2.gz YLOHVFGNLXIQGZ-LLVKDONJSA-N 1 0 337.380 -1.604 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001272445272 785974584 /nfs/dbraw/zinc/97/45/84/785974584.db2.gz YLOHVFGNLXIQGZ-NSHDSACASA-N 1 0 337.380 -1.604 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001272451050 785974060 /nfs/dbraw/zinc/97/40/60/785974060.db2.gz DXNHVIKFJDYWJZ-KBPBESRZSA-N 1 0 348.403 -1.148 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001272451054 785974021 /nfs/dbraw/zinc/97/40/21/785974021.db2.gz DXNHVIKFJDYWJZ-KGLIPLIRSA-N 1 0 348.403 -1.148 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001272451056 785974312 /nfs/dbraw/zinc/97/43/12/785974312.db2.gz DXNHVIKFJDYWJZ-UONOGXRCSA-N 1 0 348.403 -1.148 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001272451058 785974720 /nfs/dbraw/zinc/97/47/20/785974720.db2.gz DXNHVIKFJDYWJZ-ZIAGYGMSSA-N 1 0 348.403 -1.148 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001272451839 785975966 /nfs/dbraw/zinc/97/59/66/785975966.db2.gz GCCGOCSWRKRBBT-GFCCVEGCSA-N 1 0 330.348 -1.346 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001272451843 785975678 /nfs/dbraw/zinc/97/56/78/785975678.db2.gz GCCGOCSWRKRBBT-LBPRGKRZSA-N 1 0 330.348 -1.346 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001272451938 785975494 /nfs/dbraw/zinc/97/54/94/785975494.db2.gz HADVEHGJRCMMJQ-GHMZBOCLSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001272451940 785975700 /nfs/dbraw/zinc/97/57/00/785975700.db2.gz HADVEHGJRCMMJQ-MNOVXSKESA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001272451942 785975466 /nfs/dbraw/zinc/97/54/66/785975466.db2.gz HADVEHGJRCMMJQ-QWRGUYRKSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001272451943 785975614 /nfs/dbraw/zinc/97/56/14/785975614.db2.gz HADVEHGJRCMMJQ-WDEREUQCSA-N 1 0 344.375 -1.224 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001272452349 785974866 /nfs/dbraw/zinc/97/48/66/785974866.db2.gz HWEHGJLBFVTBIP-LLVKDONJSA-N 1 0 335.364 -1.771 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001272452352 785974398 /nfs/dbraw/zinc/97/43/98/785974398.db2.gz HWEHGJLBFVTBIP-NSHDSACASA-N 1 0 335.364 -1.771 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001272452470 785975656 /nfs/dbraw/zinc/97/56/56/785975656.db2.gz IYAKLNCJTKGMET-KBPBESRZSA-N 1 0 347.419 -1.430 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001272452473 785975377 /nfs/dbraw/zinc/97/53/77/785975377.db2.gz IYAKLNCJTKGMET-KGLIPLIRSA-N 1 0 347.419 -1.430 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001272452653 785975554 /nfs/dbraw/zinc/97/55/54/785975554.db2.gz IYAKLNCJTKGMET-UONOGXRCSA-N 1 0 347.419 -1.430 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001272452661 785976193 /nfs/dbraw/zinc/97/61/93/785976193.db2.gz IYAKLNCJTKGMET-ZIAGYGMSSA-N 1 0 347.419 -1.430 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001272455117 785975626 /nfs/dbraw/zinc/97/56/26/785975626.db2.gz RAKUYMYOXWXCSL-GFCCVEGCSA-N 1 0 339.396 -3.424 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001272455130 785975900 /nfs/dbraw/zinc/97/59/00/785975900.db2.gz RAKUYMYOXWXCSL-LBPRGKRZSA-N 1 0 339.396 -3.424 20 30 EAEDRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccccc2)c1=O ZINC001272455141 785975487 /nfs/dbraw/zinc/97/54/87/785975487.db2.gz RCGDNGMTOBNFGQ-HNNXBMFYSA-N 1 0 343.387 -1.300 20 30 EAEDRO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)c1=O ZINC001272455143 785975798 /nfs/dbraw/zinc/97/57/98/785975798.db2.gz RCGDNGMTOBNFGQ-OAHLLOKOSA-N 1 0 343.387 -1.300 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccn2nccc12 ZINC001272460481 785975884 /nfs/dbraw/zinc/97/58/84/785975884.db2.gz AXBKFXOKAZZYKJ-GFCCVEGCSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccn2nccc12 ZINC001272460482 785976030 /nfs/dbraw/zinc/97/60/30/785976030.db2.gz AXBKFXOKAZZYKJ-LBPRGKRZSA-N 1 0 329.360 -1.236 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2ccccn21 ZINC001272460647 785976741 /nfs/dbraw/zinc/97/67/41/785976741.db2.gz FQLYNKKDVBPXGN-LLVKDONJSA-N 1 0 330.348 -1.346 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2ccccn21 ZINC001272460648 785976894 /nfs/dbraw/zinc/97/68/94/785976894.db2.gz FQLYNKKDVBPXGN-NSHDSACASA-N 1 0 330.348 -1.346 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F)C1=O ZINC001272460871 785977363 /nfs/dbraw/zinc/97/73/63/785977363.db2.gz JXFIMYYUYXSLMP-NXEZZACHSA-N 1 0 348.350 -1.779 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F)C1=O ZINC001272460872 785977392 /nfs/dbraw/zinc/97/73/92/785977392.db2.gz JXFIMYYUYXSLMP-UWVGGRQHSA-N 1 0 348.350 -1.779 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F)C1=O ZINC001272460873 785976833 /nfs/dbraw/zinc/97/68/33/785976833.db2.gz JXFIMYYUYXSLMP-VHSXEESVSA-N 1 0 348.350 -1.779 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F)C1=O ZINC001272460874 785977240 /nfs/dbraw/zinc/97/72/40/785977240.db2.gz JXFIMYYUYXSLMP-ZJUUUORDSA-N 1 0 348.350 -1.779 20 30 EAEDRO CCN1CCOC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272461675 785975530 /nfs/dbraw/zinc/97/55/30/785975530.db2.gz QJZMYKYHOKSZSP-NEPJUHHUSA-N 1 0 327.385 -2.586 20 30 EAEDRO CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272461676 785975648 /nfs/dbraw/zinc/97/56/48/785975648.db2.gz QJZMYKYHOKSZSP-NWDGAFQWSA-N 1 0 327.385 -2.586 20 30 EAEDRO CCN1CCOC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272461677 785976059 /nfs/dbraw/zinc/97/60/59/785976059.db2.gz QJZMYKYHOKSZSP-RYUDHWBXSA-N 1 0 327.385 -2.586 20 30 EAEDRO CCN1CCOC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272461678 785976005 /nfs/dbraw/zinc/97/60/05/785976005.db2.gz QJZMYKYHOKSZSP-VXGBXAGGSA-N 1 0 327.385 -2.586 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(n1)OCCO2 ZINC001272462723 785976750 /nfs/dbraw/zinc/97/67/50/785976750.db2.gz YPNSBTUUIGERMY-LLVKDONJSA-N 1 0 348.359 -1.718 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2c(n1)OCCO2 ZINC001272462724 785976711 /nfs/dbraw/zinc/97/67/11/785976711.db2.gz YPNSBTUUIGERMY-NSHDSACASA-N 1 0 348.359 -1.718 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001272469140 785979090 /nfs/dbraw/zinc/97/90/90/785979090.db2.gz FQJQUBQODFEFMP-NXEZZACHSA-N 1 0 341.799 -1.108 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001272469154 785978492 /nfs/dbraw/zinc/97/84/92/785978492.db2.gz FQJQUBQODFEFMP-UWVGGRQHSA-N 1 0 341.799 -1.108 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001272469155 785979033 /nfs/dbraw/zinc/97/90/33/785979033.db2.gz FQJQUBQODFEFMP-VHSXEESVSA-N 1 0 341.799 -1.108 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001272469156 785978459 /nfs/dbraw/zinc/97/84/59/785978459.db2.gz FQJQUBQODFEFMP-ZJUUUORDSA-N 1 0 341.799 -1.108 20 30 EAEDRO Cn1c(Cl)ncc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272470738 785978962 /nfs/dbraw/zinc/97/89/62/785978962.db2.gz RDRMAVDRHXFFLT-MRVPVSSYSA-N 1 0 328.760 -1.606 20 30 EAEDRO Cn1c(Cl)ncc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272470740 785978247 /nfs/dbraw/zinc/97/82/47/785978247.db2.gz RDRMAVDRHXFFLT-QMMMGPOBSA-N 1 0 328.760 -1.606 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001272470765 785978975 /nfs/dbraw/zinc/97/89/75/785978975.db2.gz RNNKWLUHQISDIP-HZSPNIEDSA-N 1 0 338.408 -1.244 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001272470768 785979234 /nfs/dbraw/zinc/97/92/34/785979234.db2.gz RNNKWLUHQISDIP-MELADBBJSA-N 1 0 338.408 -1.244 20 30 EAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001272479576 785980273 /nfs/dbraw/zinc/98/02/73/785980273.db2.gz MYTVBIKOPGFVHD-OAGGEKHMSA-N 1 0 339.436 -1.044 20 30 EAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001272479577 785979710 /nfs/dbraw/zinc/97/97/10/785979710.db2.gz MYTVBIKOPGFVHD-XHSDSOJGSA-N 1 0 339.436 -1.044 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001272479668 785980214 /nfs/dbraw/zinc/98/02/14/785980214.db2.gz PAELJXAUMKPLKM-NEPJUHHUSA-N 1 0 348.363 -2.818 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001272479669 785979992 /nfs/dbraw/zinc/97/99/92/785979992.db2.gz PAELJXAUMKPLKM-RYUDHWBXSA-N 1 0 348.363 -2.818 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001272487916 785979801 /nfs/dbraw/zinc/97/98/01/785979801.db2.gz INQNGFRYBFADTM-LLVKDONJSA-N 1 0 335.364 -1.771 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001272487917 785980225 /nfs/dbraw/zinc/98/02/25/785980225.db2.gz INQNGFRYBFADTM-NSHDSACASA-N 1 0 335.364 -1.771 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272488673 785980188 /nfs/dbraw/zinc/98/01/88/785980188.db2.gz QPNNCDPLULWNJU-GHMZBOCLSA-N 1 0 337.380 -1.753 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272488674 785980335 /nfs/dbraw/zinc/98/03/35/785980335.db2.gz QPNNCDPLULWNJU-MNOVXSKESA-N 1 0 337.380 -1.753 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272488675 785980011 /nfs/dbraw/zinc/98/00/11/785980011.db2.gz QPNNCDPLULWNJU-QWRGUYRKSA-N 1 0 337.380 -1.753 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272488676 785980154 /nfs/dbraw/zinc/98/01/54/785980154.db2.gz QPNNCDPLULWNJU-WDEREUQCSA-N 1 0 337.380 -1.753 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O ZINC001272488715 785980582 /nfs/dbraw/zinc/98/05/82/785980582.db2.gz RJKYDWUNRXRZQN-CYBMUJFWSA-N 1 0 347.375 -1.788 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1nc2ccccn2c1=O ZINC001272488716 785979884 /nfs/dbraw/zinc/97/98/84/785979884.db2.gz RJKYDWUNRXRZQN-ZDUSSCGKSA-N 1 0 347.375 -1.788 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001272495123 785980606 /nfs/dbraw/zinc/98/06/06/785980606.db2.gz BBWKRQLZIFMESX-GHMZBOCLSA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001272495125 785981860 /nfs/dbraw/zinc/98/18/60/785981860.db2.gz BBWKRQLZIFMESX-MNOVXSKESA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001272495126 785981938 /nfs/dbraw/zinc/98/19/38/785981938.db2.gz BBWKRQLZIFMESX-QWRGUYRKSA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001272495128 785981191 /nfs/dbraw/zinc/98/11/91/785981191.db2.gz BBWKRQLZIFMESX-WDEREUQCSA-N 1 0 337.380 -1.407 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCCC2 ZINC001272504948 785981748 /nfs/dbraw/zinc/98/17/48/785981748.db2.gz RVMQJAISYKXFQC-GFCCVEGCSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCCC2 ZINC001272504951 785981543 /nfs/dbraw/zinc/98/15/43/785981543.db2.gz RVMQJAISYKXFQC-LBPRGKRZSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cc1OC ZINC001272519649 785984548 /nfs/dbraw/zinc/98/45/48/785984548.db2.gz CSWUQQNYKZPKBA-JTQLQIEISA-N 1 0 336.348 -1.775 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cc1OC ZINC001272519658 785983772 /nfs/dbraw/zinc/98/37/72/785983772.db2.gz CSWUQQNYKZPKBA-SNVBAGLBSA-N 1 0 336.348 -1.775 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001272520184 785984490 /nfs/dbraw/zinc/98/44/90/785984490.db2.gz GGMCFTLKRPBRDV-NEPJUHHUSA-N 1 0 349.395 -2.558 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001272520187 785984775 /nfs/dbraw/zinc/98/47/75/785984775.db2.gz GGMCFTLKRPBRDV-NWDGAFQWSA-N 1 0 349.395 -2.558 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001272520190 785984660 /nfs/dbraw/zinc/98/46/60/785984660.db2.gz GGMCFTLKRPBRDV-RYUDHWBXSA-N 1 0 349.395 -2.558 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001272520192 785984813 /nfs/dbraw/zinc/98/48/13/785984813.db2.gz GGMCFTLKRPBRDV-VXGBXAGGSA-N 1 0 349.395 -2.558 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nccn2ccnc12 ZINC001272520616 785984559 /nfs/dbraw/zinc/98/45/59/785984559.db2.gz IXHWAAXEILPFOE-LLVKDONJSA-N 1 0 332.364 -1.288 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nccn2ccnc12 ZINC001272520624 785984163 /nfs/dbraw/zinc/98/41/63/785984163.db2.gz IXHWAAXEILPFOE-NSHDSACASA-N 1 0 332.364 -1.288 20 30 EAEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001272520626 785984241 /nfs/dbraw/zinc/98/42/41/785984241.db2.gz IYOWIQLGMBOTBE-AWEZNQCLSA-N 1 0 344.371 -1.108 20 30 EAEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001272520630 785983886 /nfs/dbraw/zinc/98/38/86/785983886.db2.gz IYOWIQLGMBOTBE-CQSZACIVSA-N 1 0 344.371 -1.108 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272520739 785983985 /nfs/dbraw/zinc/98/39/85/785983985.db2.gz KCVYGKGUCAUSLQ-AXFHLTTASA-N 1 0 328.369 -1.900 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272520740 785984768 /nfs/dbraw/zinc/98/47/68/785984768.db2.gz KCVYGKGUCAUSLQ-MXWKQRLJSA-N 1 0 328.369 -1.900 20 30 EAEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001272521635 785986403 /nfs/dbraw/zinc/98/64/03/785986403.db2.gz RZNGCMVPOXNRDN-GFCCVEGCSA-N 1 0 338.408 -1.632 20 30 EAEDRO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001272521636 785986496 /nfs/dbraw/zinc/98/64/96/785986496.db2.gz RZNGCMVPOXNRDN-LBPRGKRZSA-N 1 0 338.408 -1.632 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001272537071 785988465 /nfs/dbraw/zinc/98/84/65/785988465.db2.gz PXJCEHKGPPHZCT-GFCCVEGCSA-N 1 0 345.421 -2.373 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001272537072 785989029 /nfs/dbraw/zinc/98/90/29/785989029.db2.gz PXJCEHKGPPHZCT-LBPRGKRZSA-N 1 0 345.421 -2.373 20 30 EAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272537329 785988439 /nfs/dbraw/zinc/98/84/39/785988439.db2.gz SHOXLFKQTLYDAC-GVXVVHGQSA-N 1 0 342.396 -1.510 20 30 EAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272537330 785988148 /nfs/dbraw/zinc/98/81/48/785988148.db2.gz SHOXLFKQTLYDAC-MDZLAQPJSA-N 1 0 342.396 -1.510 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272544334 785990015 /nfs/dbraw/zinc/99/00/15/785990015.db2.gz DQRLMDYHTODZOJ-NEPJUHHUSA-N 1 0 349.391 -1.919 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272544335 785990192 /nfs/dbraw/zinc/99/01/92/785990192.db2.gz DQRLMDYHTODZOJ-NWDGAFQWSA-N 1 0 349.391 -1.919 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272544336 785989361 /nfs/dbraw/zinc/98/93/61/785989361.db2.gz DQRLMDYHTODZOJ-RYUDHWBXSA-N 1 0 349.391 -1.919 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272544337 785989456 /nfs/dbraw/zinc/98/94/56/785989456.db2.gz DQRLMDYHTODZOJ-VXGBXAGGSA-N 1 0 349.391 -1.919 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001272544516 785991029 /nfs/dbraw/zinc/99/10/29/785991029.db2.gz GATAIAQVUMFQQL-GFCCVEGCSA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001272544520 785990483 /nfs/dbraw/zinc/99/04/83/785990483.db2.gz GATAIAQVUMFQQL-LBPRGKRZSA-N 1 0 330.348 -1.841 20 30 EAEDRO Cn1nc2ccccc2c1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272552070 785991280 /nfs/dbraw/zinc/99/12/80/785991280.db2.gz AYDNAAYQISVNLO-LLVKDONJSA-N 1 0 344.375 -1.107 20 30 EAEDRO Cn1nc2ccccc2c1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272552071 785991244 /nfs/dbraw/zinc/99/12/44/785991244.db2.gz AYDNAAYQISVNLO-NSHDSACASA-N 1 0 344.375 -1.107 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001272552447 785991557 /nfs/dbraw/zinc/99/15/57/785991557.db2.gz FFSYKILBUMLHTG-LLVKDONJSA-N 1 0 345.421 -2.230 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001272552449 785991155 /nfs/dbraw/zinc/99/11/55/785991155.db2.gz FFSYKILBUMLHTG-NSHDSACASA-N 1 0 345.421 -2.230 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001272552671 785990564 /nfs/dbraw/zinc/99/05/64/785990564.db2.gz IRBMAARHDBRIIG-GFCCVEGCSA-N 1 0 332.422 -1.330 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001272552673 785991076 /nfs/dbraw/zinc/99/10/76/785991076.db2.gz IRBMAARHDBRIIG-LBPRGKRZSA-N 1 0 332.422 -1.330 20 30 EAEDRO CC(C)c1cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001272552813 785991463 /nfs/dbraw/zinc/99/14/63/785991463.db2.gz JSQNOUKQJBSUDO-LLVKDONJSA-N 1 0 336.396 -1.136 20 30 EAEDRO CC(C)c1cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001272552814 785991163 /nfs/dbraw/zinc/99/11/63/785991163.db2.gz JSQNOUKQJBSUDO-NSHDSACASA-N 1 0 336.396 -1.136 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C(C)C)nn1C ZINC001272553928 785992111 /nfs/dbraw/zinc/99/21/11/785992111.db2.gz SOPMIDQEUNGBID-GFCCVEGCSA-N 1 0 335.408 -1.027 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C(C)C)nn1C ZINC001272553930 785992068 /nfs/dbraw/zinc/99/20/68/785992068.db2.gz SOPMIDQEUNGBID-LBPRGKRZSA-N 1 0 335.408 -1.027 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cnc(OC)nc2)C1=O ZINC001272553977 785992863 /nfs/dbraw/zinc/99/28/63/785992863.db2.gz SZQUXQPOGWMJHG-CHWSQXEVSA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnc(OC)nc2)C1=O ZINC001272553979 785992365 /nfs/dbraw/zinc/99/23/65/785992365.db2.gz SZQUXQPOGWMJHG-OLZOCXBDSA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cnc(OC)nc2)C1=O ZINC001272553981 785992158 /nfs/dbraw/zinc/99/21/58/785992158.db2.gz SZQUXQPOGWMJHG-QWHCGFSZSA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cnc(OC)nc2)C1=O ZINC001272553983 785992574 /nfs/dbraw/zinc/99/25/74/785992574.db2.gz SZQUXQPOGWMJHG-STQMWFEESA-N 1 0 349.391 -1.048 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001272553990 785992120 /nfs/dbraw/zinc/99/21/20/785992120.db2.gz TWXKTDBPLRZJQF-LLVKDONJSA-N 1 0 326.353 -2.355 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001272553991 785992586 /nfs/dbraw/zinc/99/25/86/785992586.db2.gz TWXKTDBPLRZJQF-NSHDSACASA-N 1 0 326.353 -2.355 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn2ccc(C)nc12 ZINC001272558674 785996770 /nfs/dbraw/zinc/99/67/70/785996770.db2.gz ABMOBLNAAKVRRB-GFCCVEGCSA-N 1 0 344.375 -1.533 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn2ccc(C)nc12 ZINC001272558675 785997585 /nfs/dbraw/zinc/99/75/85/785997585.db2.gz ABMOBLNAAKVRRB-LBPRGKRZSA-N 1 0 344.375 -1.533 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001272559188 785998705 /nfs/dbraw/zinc/99/87/05/785998705.db2.gz GXWQIICPEDJHBE-HNNXBMFYSA-N 1 0 346.387 -1.398 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001272559190 785998735 /nfs/dbraw/zinc/99/87/35/785998735.db2.gz GXWQIICPEDJHBE-OAHLLOKOSA-N 1 0 346.387 -1.398 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)cn1 ZINC001272559478 785999737 /nfs/dbraw/zinc/99/97/37/785999737.db2.gz JJFYHXATXACUMX-CYBMUJFWSA-N 1 0 325.390 -1.212 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)cn1 ZINC001272559479 785999141 /nfs/dbraw/zinc/99/91/41/785999141.db2.gz JJFYHXATXACUMX-ZDUSSCGKSA-N 1 0 325.390 -1.212 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001272561128 785998759 /nfs/dbraw/zinc/99/87/59/785998759.db2.gz WEZXCSCGJGESRS-KBPBESRZSA-N 1 0 346.449 -1.082 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001272561129 785998557 /nfs/dbraw/zinc/99/85/57/785998557.db2.gz WEZXCSCGJGESRS-KGLIPLIRSA-N 1 0 346.449 -1.082 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001272561130 785998260 /nfs/dbraw/zinc/99/82/60/785998260.db2.gz WEZXCSCGJGESRS-UONOGXRCSA-N 1 0 346.449 -1.082 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001272561131 785999484 /nfs/dbraw/zinc/99/94/84/785999484.db2.gz WEZXCSCGJGESRS-ZIAGYGMSSA-N 1 0 346.449 -1.082 20 30 EAEDRO C#Cc1ccccc1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272567518 786005641 /nfs/dbraw/zinc/00/56/41/786005641.db2.gz ROSNOVMMFYKFCD-CYBMUJFWSA-N 1 0 332.360 -1.528 20 30 EAEDRO C#Cc1ccccc1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272567519 786005597 /nfs/dbraw/zinc/00/55/97/786005597.db2.gz ROSNOVMMFYKFCD-ZDUSSCGKSA-N 1 0 332.360 -1.528 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c(cn1)OCCC2 ZINC001272567573 786006423 /nfs/dbraw/zinc/00/64/23/786006423.db2.gz RVIABFNYASVWLV-CYBMUJFWSA-N 1 0 346.387 -1.164 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc2c(cn1)OCCC2 ZINC001272567577 786006124 /nfs/dbraw/zinc/00/61/24/786006124.db2.gz RVIABFNYASVWLV-ZDUSSCGKSA-N 1 0 346.387 -1.164 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001272568032 786006392 /nfs/dbraw/zinc/00/63/92/786006392.db2.gz UTKOCIZWTFYYMP-LLVKDONJSA-N 1 0 347.375 -2.129 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001272568033 786005862 /nfs/dbraw/zinc/00/58/62/786005862.db2.gz UTKOCIZWTFYYMP-NSHDSACASA-N 1 0 347.375 -2.129 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001272568620 786005702 /nfs/dbraw/zinc/00/57/02/786005702.db2.gz ZLEUNNFTBHIEJL-CHWSQXEVSA-N 1 0 347.419 -1.105 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001272568622 786005655 /nfs/dbraw/zinc/00/56/55/786005655.db2.gz ZLEUNNFTBHIEJL-OLZOCXBDSA-N 1 0 347.419 -1.105 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001272568624 786006269 /nfs/dbraw/zinc/00/62/69/786006269.db2.gz ZLEUNNFTBHIEJL-QWHCGFSZSA-N 1 0 347.419 -1.105 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001272568626 786005954 /nfs/dbraw/zinc/00/59/54/786005954.db2.gz ZLEUNNFTBHIEJL-STQMWFEESA-N 1 0 347.419 -1.105 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC001272573750 786007288 /nfs/dbraw/zinc/00/72/88/786007288.db2.gz AKNUTCDFTYFEDG-AWEZNQCLSA-N 1 0 346.387 -1.250 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC001272573754 786007157 /nfs/dbraw/zinc/00/71/57/786007157.db2.gz AKNUTCDFTYFEDG-CQSZACIVSA-N 1 0 346.387 -1.250 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272574003 786006689 /nfs/dbraw/zinc/00/66/89/786006689.db2.gz DGOGREIYYPVPOQ-NEPJUHHUSA-N 1 0 340.424 -1.647 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272574005 786007371 /nfs/dbraw/zinc/00/73/71/786007371.db2.gz DGOGREIYYPVPOQ-NWDGAFQWSA-N 1 0 340.424 -1.647 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272574007 786007204 /nfs/dbraw/zinc/00/72/04/786007204.db2.gz DGOGREIYYPVPOQ-RYUDHWBXSA-N 1 0 340.424 -1.647 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272574012 786007866 /nfs/dbraw/zinc/00/78/66/786007866.db2.gz DGOGREIYYPVPOQ-VXGBXAGGSA-N 1 0 340.424 -1.647 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)OCCO2 ZINC001272574045 786007171 /nfs/dbraw/zinc/00/71/71/786007171.db2.gz DPEMZXVNKWISCD-CYBMUJFWSA-N 1 0 347.371 -1.113 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)OCCO2 ZINC001272574047 786007460 /nfs/dbraw/zinc/00/74/60/786007460.db2.gz DPEMZXVNKWISCD-ZDUSSCGKSA-N 1 0 347.371 -1.113 20 30 EAEDRO CN(C)c1ncccc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272574271 786008449 /nfs/dbraw/zinc/00/84/49/786008449.db2.gz GNIYJGYMUONTMP-LLVKDONJSA-N 1 0 334.380 -1.532 20 30 EAEDRO CN(C)c1ncccc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272574273 786008261 /nfs/dbraw/zinc/00/82/61/786008261.db2.gz GNIYJGYMUONTMP-NSHDSACASA-N 1 0 334.380 -1.532 20 30 EAEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)c1 ZINC001272574825 786008166 /nfs/dbraw/zinc/00/81/66/786008166.db2.gz KWSATXZBUQXMQR-CYBMUJFWSA-N 1 0 345.359 -1.323 20 30 EAEDRO N#Cc1cccc(C[NH2+]C[C@H](O)CNC(=O)CN2C(=O)CNC2=O)c1 ZINC001272574827 786009006 /nfs/dbraw/zinc/00/90/06/786009006.db2.gz KWSATXZBUQXMQR-ZDUSSCGKSA-N 1 0 345.359 -1.323 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNCc2nnn(C)n2)CC1 ZINC001272582690 786011751 /nfs/dbraw/zinc/01/17/51/786011751.db2.gz BSNCAMURJOTVBZ-CYBMUJFWSA-N 1 0 335.412 -1.878 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2nnn(C)n2)CC1 ZINC001272582693 786012432 /nfs/dbraw/zinc/01/24/32/786012432.db2.gz BSNCAMURJOTVBZ-ZDUSSCGKSA-N 1 0 335.412 -1.878 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(CC)n(C)n1 ZINC001272591279 786015380 /nfs/dbraw/zinc/01/53/80/786015380.db2.gz FVKAHDBQMUPPMO-AAEUAGOBSA-N 1 0 335.408 -1.199 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)n(C)n1 ZINC001272591281 786015255 /nfs/dbraw/zinc/01/52/55/786015255.db2.gz FVKAHDBQMUPPMO-DGCLKSJQSA-N 1 0 335.408 -1.199 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)n(C)n1 ZINC001272591283 786015162 /nfs/dbraw/zinc/01/51/62/786015162.db2.gz FVKAHDBQMUPPMO-WCQYABFASA-N 1 0 335.408 -1.199 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(CC)n(C)n1 ZINC001272591285 786015044 /nfs/dbraw/zinc/01/50/44/786015044.db2.gz FVKAHDBQMUPPMO-YPMHNXCESA-N 1 0 335.408 -1.199 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1C1CC1 ZINC001272593272 786015880 /nfs/dbraw/zinc/01/58/80/786015880.db2.gz VPNYFLJBWCIFJJ-GFCCVEGCSA-N 1 0 333.392 -1.273 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C1CC1 ZINC001272593274 786016250 /nfs/dbraw/zinc/01/62/50/786016250.db2.gz VPNYFLJBWCIFJJ-LBPRGKRZSA-N 1 0 333.392 -1.273 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001272687849 786036160 /nfs/dbraw/zinc/03/61/60/786036160.db2.gz CKWMFYLRIHCPGG-GHMZBOCLSA-N 1 0 339.396 -1.239 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001272687850 786036636 /nfs/dbraw/zinc/03/66/36/786036636.db2.gz CKWMFYLRIHCPGG-WDEREUQCSA-N 1 0 339.396 -1.239 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001272755424 786111531 /nfs/dbraw/zinc/11/15/31/786111531.db2.gz DIZQPAFZOWBBHL-IJLUTSLNSA-N 1 0 336.396 -1.428 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001272755425 786111706 /nfs/dbraw/zinc/11/17/06/786111706.db2.gz DIZQPAFZOWBBHL-SRVKXCTJSA-N 1 0 336.396 -1.428 20 30 EAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)N1CCCC1 ZINC001272773948 786116266 /nfs/dbraw/zinc/11/62/66/786116266.db2.gz QDORLLZRLALEID-GFCCVEGCSA-N 1 0 338.412 -1.084 20 30 EAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)N1CCCC1 ZINC001272773949 786116313 /nfs/dbraw/zinc/11/63/13/786116313.db2.gz QDORLLZRLALEID-LBPRGKRZSA-N 1 0 338.412 -1.084 20 30 EAEDRO C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272774118 786116278 /nfs/dbraw/zinc/11/62/78/786116278.db2.gz RFZGPUPJPBGNDJ-CHWSQXEVSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272774119 786116473 /nfs/dbraw/zinc/11/64/73/786116473.db2.gz RFZGPUPJPBGNDJ-OLZOCXBDSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272774120 786116242 /nfs/dbraw/zinc/11/62/42/786116242.db2.gz RFZGPUPJPBGNDJ-QWHCGFSZSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001272774121 786116397 /nfs/dbraw/zinc/11/63/97/786116397.db2.gz RFZGPUPJPBGNDJ-STQMWFEESA-N 1 0 338.408 -1.533 20 30 EAEDRO C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)Cn3cnnn3)C2)CC1 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C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC001273244559 786340197 /nfs/dbraw/zinc/34/01/97/786340197.db2.gz SOLLIBOAZIOKBI-STQMWFEESA-N 1 0 336.392 -1.921 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(=O)NCC)CCO1 ZINC001273244560 786340179 /nfs/dbraw/zinc/34/01/79/786340179.db2.gz SRSGCDUUYFDVHE-GFCCVEGCSA-N 1 0 326.397 -1.368 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(=O)NCC)CCO1 ZINC001273244561 786340371 /nfs/dbraw/zinc/34/03/71/786340371.db2.gz SRSGCDUUYFDVHE-LBPRGKRZSA-N 1 0 326.397 -1.368 20 30 EAEDRO COc1cc(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)on1 ZINC001273244632 786340921 /nfs/dbraw/zinc/34/09/21/786340921.db2.gz VADFCSSQERLUOP-JTQLQIEISA-N 1 0 337.336 -1.246 20 30 EAEDRO COc1cc(C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)on1 ZINC001273244633 786341275 /nfs/dbraw/zinc/34/12/75/786341275.db2.gz VADFCSSQERLUOP-SNVBAGLBSA-N 1 0 337.336 -1.246 20 30 EAEDRO CCn1nncc1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273250991 786424150 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EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001273252763 786423641 /nfs/dbraw/zinc/42/36/41/786423641.db2.gz VOXXNSBLQSGELC-RYUDHWBXSA-N 1 0 336.396 -1.064 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001273252764 786424204 /nfs/dbraw/zinc/42/42/04/786424204.db2.gz VOXXNSBLQSGELC-VXGBXAGGSA-N 1 0 336.396 -1.064 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273260042 786425463 /nfs/dbraw/zinc/42/54/63/786425463.db2.gz FZNDBLRCHSSEKO-CHWSQXEVSA-N 1 0 332.422 -1.114 20 30 EAEDRO C#CCO[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273260043 786425315 /nfs/dbraw/zinc/42/53/15/786425315.db2.gz FZNDBLRCHSSEKO-OLZOCXBDSA-N 1 0 332.422 -1.114 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273260044 786425032 /nfs/dbraw/zinc/42/50/32/786425032.db2.gz FZNDBLRCHSSEKO-QWHCGFSZSA-N 1 0 332.422 -1.114 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001273260046 786425365 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EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CCO1 ZINC001273261704 786424919 /nfs/dbraw/zinc/42/49/19/786424919.db2.gz WHZSTOCZOMPEPX-CQSZACIVSA-N 1 0 333.392 -1.471 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)CCO1 ZINC001273268097 786426299 /nfs/dbraw/zinc/42/62/99/786426299.db2.gz MMCLZPRQRBTTDP-CYBMUJFWSA-N 1 0 334.380 -1.201 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)CCO1 ZINC001273268099 786426570 /nfs/dbraw/zinc/42/65/70/786426570.db2.gz MMCLZPRQRBTTDP-ZDUSSCGKSA-N 1 0 334.380 -1.201 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC001273276668 786427083 /nfs/dbraw/zinc/42/70/83/786427083.db2.gz KLOVQXNFPMGCTI-CYBMUJFWSA-N 1 0 332.422 -1.112 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 ZINC001273276669 786426187 /nfs/dbraw/zinc/42/61/87/786426187.db2.gz KLOVQXNFPMGCTI-ZDUSSCGKSA-N 1 0 332.422 -1.112 20 30 EAEDRO CCc1c[nH]c(CC(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001273276928 786427171 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EAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CCO1 ZINC001273286221 786427723 /nfs/dbraw/zinc/42/77/23/786427723.db2.gz RIFAEUVZZUZAOS-JTQLQIEISA-N 1 0 327.362 -1.009 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)CCO1 ZINC001273286222 786427969 /nfs/dbraw/zinc/42/79/69/786427969.db2.gz RIFAEUVZZUZAOS-SNVBAGLBSA-N 1 0 327.362 -1.009 20 30 EAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCO1 ZINC001273291871 786427438 /nfs/dbraw/zinc/42/74/38/786427438.db2.gz HYKMFNZGIPVUOS-MNOVXSKESA-N 1 0 331.394 -2.097 20 30 EAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCO1 ZINC001273291872 786427842 /nfs/dbraw/zinc/42/78/42/786427842.db2.gz HYKMFNZGIPVUOS-QWRGUYRKSA-N 1 0 331.394 -2.097 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cncnc2)CCO1 ZINC001273292405 786428688 /nfs/dbraw/zinc/42/86/88/786428688.db2.gz UJROONCSPBKQLT-AWEZNQCLSA-N 1 0 346.391 -1.134 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cncnc2)CCO1 ZINC001273292406 786428997 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20 30 EAEDRO O=C(C#CC1CC1)N1CCC[C@](CO)([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273875670 791349337 /nfs/dbraw/zinc/34/93/37/791349337.db2.gz HZSHAYXKSCMJMG-KRWDZBQOSA-N 1 0 348.403 -1.105 20 30 EAEDRO O=C(C#CC1CC1)N1CCC[C@@](CO)([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273875672 791349261 /nfs/dbraw/zinc/34/92/61/791349261.db2.gz HZSHAYXKSCMJMG-QGZVFWFLSA-N 1 0 348.403 -1.105 20 30 EAEDRO C#CCOCCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC(N)=O)C1 ZINC001273876885 791349777 /nfs/dbraw/zinc/34/97/77/791349777.db2.gz SGRREBDKHRRUKF-HNNXBMFYSA-N 1 0 340.380 -1.836 20 30 EAEDRO C#CCOCCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC(N)=O)C1 ZINC001273876886 791349365 /nfs/dbraw/zinc/34/93/65/791349365.db2.gz SGRREBDKHRRUKF-OAHLLOKOSA-N 1 0 340.380 -1.836 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001273883925 791356146 /nfs/dbraw/zinc/35/61/46/791356146.db2.gz FMANGQUSDYKTER-INIZCTEOSA-N 1 0 347.375 -1.512 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001273883928 791355284 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ZUHQEVQIXATKSU-CHWSQXEVSA-N 1 0 348.407 -1.700 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001277749788 794600153 /nfs/dbraw/zinc/60/01/53/794600153.db2.gz ZUHQEVQIXATKSU-OLZOCXBDSA-N 1 0 348.407 -1.700 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC001277749789 794600035 /nfs/dbraw/zinc/60/00/35/794600035.db2.gz ZUHQEVQIXATKSU-QWHCGFSZSA-N 1 0 348.407 -1.700 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC001277749791 794600102 /nfs/dbraw/zinc/60/01/02/794600102.db2.gz ZUHQEVQIXATKSU-STQMWFEESA-N 1 0 348.407 -1.700 20 30 EAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001277786925 794601185 /nfs/dbraw/zinc/60/11/85/794601185.db2.gz ZHKCWFBAEPYQKY-NEPJUHHUSA-N 1 0 348.407 -1.054 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001277786932 794600936 /nfs/dbraw/zinc/60/09/36/794600936.db2.gz ZHKCWFBAEPYQKY-NWDGAFQWSA-N 1 0 348.407 -1.054 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001277786933 794600873 /nfs/dbraw/zinc/60/08/73/794600873.db2.gz ZHKCWFBAEPYQKY-RYUDHWBXSA-N 1 0 348.407 -1.054 20 30 EAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001277786935 794602011 /nfs/dbraw/zinc/60/20/11/794602011.db2.gz ZHKCWFBAEPYQKY-VXGBXAGGSA-N 1 0 348.407 -1.054 20 30 EAEDRO C[C@@H](CN(C)C(=O)c1cccn2nnnc12)[NH2+]CC(=O)NCC#N ZINC001277835524 794614009 /nfs/dbraw/zinc/61/40/09/794614009.db2.gz JLOFPODRYVYYNY-JTQLQIEISA-N 1 0 330.352 -1.186 20 30 EAEDRO C[C@H](CN(C)C(=O)c1cccn2nnnc12)[NH2+]CC(=O)NCC#N ZINC001277835525 794613487 /nfs/dbraw/zinc/61/34/87/794613487.db2.gz JLOFPODRYVYYNY-SNVBAGLBSA-N 1 0 330.352 -1.186 20 30 EAEDRO COCCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)nn1 ZINC001277851579 794619918 /nfs/dbraw/zinc/61/99/18/794619918.db2.gz MDHYHWVBGIVBBX-GFCCVEGCSA-N 1 0 349.395 -1.242 20 30 EAEDRO COCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)nn1 ZINC001277851580 794620050 /nfs/dbraw/zinc/62/00/50/794620050.db2.gz MDHYHWVBGIVBBX-LBPRGKRZSA-N 1 0 349.395 -1.242 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001277857975 794622359 /nfs/dbraw/zinc/62/23/59/794622359.db2.gz KRUMGFRHJJBDRC-AAEUAGOBSA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001277857989 794623288 /nfs/dbraw/zinc/62/32/88/794623288.db2.gz KRUMGFRHJJBDRC-DGCLKSJQSA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001277857991 794623340 /nfs/dbraw/zinc/62/33/40/794623340.db2.gz KRUMGFRHJJBDRC-WCQYABFASA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001277857994 794622991 /nfs/dbraw/zinc/62/29/91/794622991.db2.gz KRUMGFRHJJBDRC-YPMHNXCESA-N 1 0 341.433 -1.251 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001277865918 794624125 /nfs/dbraw/zinc/62/41/25/794624125.db2.gz KXPPYRGFIIEGHG-GFCCVEGCSA-N 1 0 344.437 -1.744 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001277865919 794624562 /nfs/dbraw/zinc/62/45/62/794624562.db2.gz KXPPYRGFIIEGHG-LBPRGKRZSA-N 1 0 344.437 -1.744 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001277883910 794625394 /nfs/dbraw/zinc/62/53/94/794625394.db2.gz SOIZFZJETXDTLA-GFCCVEGCSA-N 1 0 334.380 -2.088 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001277883911 794626270 /nfs/dbraw/zinc/62/62/70/794626270.db2.gz SOIZFZJETXDTLA-LBPRGKRZSA-N 1 0 334.380 -2.088 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001277892147 794626002 /nfs/dbraw/zinc/62/60/02/794626002.db2.gz JVKSZOXCCHALJA-NEPJUHHUSA-N 1 0 342.421 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001277892148 794625570 /nfs/dbraw/zinc/62/55/70/794625570.db2.gz JVKSZOXCCHALJA-NWDGAFQWSA-N 1 0 342.421 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001277892149 794626024 /nfs/dbraw/zinc/62/60/24/794626024.db2.gz JVKSZOXCCHALJA-RYUDHWBXSA-N 1 0 342.421 -1.359 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001277892150 794626121 /nfs/dbraw/zinc/62/61/21/794626121.db2.gz JVKSZOXCCHALJA-VXGBXAGGSA-N 1 0 342.421 -1.359 20 30 EAEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001277893491 794625277 /nfs/dbraw/zinc/62/52/77/794625277.db2.gz LSJDPQCWUSHKBO-NEPJUHHUSA-N 1 0 345.421 -2.014 20 30 EAEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001277893492 794626152 /nfs/dbraw/zinc/62/61/52/794626152.db2.gz LSJDPQCWUSHKBO-RYUDHWBXSA-N 1 0 345.421 -2.014 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001277893658 794625803 /nfs/dbraw/zinc/62/58/03/794625803.db2.gz ORUAFRCZAVAEBL-AAEUAGOBSA-N 1 0 346.391 -1.449 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001277893659 794625729 /nfs/dbraw/zinc/62/57/29/794625729.db2.gz ORUAFRCZAVAEBL-YPMHNXCESA-N 1 0 346.391 -1.449 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCCS(N)(=O)=O ZINC001277931731 794636514 /nfs/dbraw/zinc/63/65/14/794636514.db2.gz AGNWCQRUTYFZEM-GFCCVEGCSA-N 1 0 344.437 -1.615 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCS(N)(=O)=O ZINC001277931732 794636226 /nfs/dbraw/zinc/63/62/26/794636226.db2.gz AGNWCQRUTYFZEM-LBPRGKRZSA-N 1 0 344.437 -1.615 20 30 EAEDRO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]CC(=O)NCC#N ZINC001277938125 794636349 /nfs/dbraw/zinc/63/63/49/794636349.db2.gz OLLVCYDPAZJGPN-GARJFASQSA-N 1 0 325.369 -1.904 20 30 EAEDRO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]CC(=O)NCC#N ZINC001277938126 794636005 /nfs/dbraw/zinc/63/60/05/794636005.db2.gz OLLVCYDPAZJGPN-OUAUKWLOSA-N 1 0 325.369 -1.904 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1nc2ncccn2n1 ZINC001277964387 794641636 /nfs/dbraw/zinc/64/16/36/794641636.db2.gz CWCIRTACBXQTRF-NSHDSACASA-N 1 0 342.363 -1.042 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001277980951 794642668 /nfs/dbraw/zinc/64/26/68/794642668.db2.gz KVGSHSRIQANCTC-GFCCVEGCSA-N 1 0 349.391 -1.790 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001277980956 794642990 /nfs/dbraw/zinc/64/29/90/794642990.db2.gz KVGSHSRIQANCTC-LBPRGKRZSA-N 1 0 349.391 -1.790 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001277997853 794644343 /nfs/dbraw/zinc/64/43/43/794644343.db2.gz UVHIOSHYDPBVCA-LLVKDONJSA-N 1 0 344.375 -1.481 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001277997854 794643637 /nfs/dbraw/zinc/64/36/37/794643637.db2.gz UVHIOSHYDPBVCA-NSHDSACASA-N 1 0 344.375 -1.481 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001278010078 794645096 /nfs/dbraw/zinc/64/50/96/794645096.db2.gz IWBCJUFNXNXFGR-LLVKDONJSA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001278010079 794645483 /nfs/dbraw/zinc/64/54/83/794645483.db2.gz IWBCJUFNXNXFGR-NSHDSACASA-N 1 0 339.396 -1.381 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1nccnc1C(N)=O ZINC001278010118 794645077 /nfs/dbraw/zinc/64/50/77/794645077.db2.gz JUMLZZPMPZQOTP-JTQLQIEISA-N 1 0 334.380 -1.072 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1nccnc1C(N)=O ZINC001278010119 794645545 /nfs/dbraw/zinc/64/55/45/794645545.db2.gz JUMLZZPMPZQOTP-SNVBAGLBSA-N 1 0 334.380 -1.072 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278010682 794645570 /nfs/dbraw/zinc/64/55/70/794645570.db2.gz WTUNDBANQVWOLJ-NEPJUHHUSA-N 1 0 333.392 -1.032 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278010683 794645043 /nfs/dbraw/zinc/64/50/43/794645043.db2.gz WTUNDBANQVWOLJ-NWDGAFQWSA-N 1 0 333.392 -1.032 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278010684 794645662 /nfs/dbraw/zinc/64/56/62/794645662.db2.gz WTUNDBANQVWOLJ-RYUDHWBXSA-N 1 0 333.392 -1.032 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278010685 794645636 /nfs/dbraw/zinc/64/56/36/794645636.db2.gz WTUNDBANQVWOLJ-VXGBXAGGSA-N 1 0 333.392 -1.032 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001278015329 794646536 /nfs/dbraw/zinc/64/65/36/794646536.db2.gz CKULQRYWCYCVBZ-NEPJUHHUSA-N 1 0 336.392 -1.078 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278015330 794646128 /nfs/dbraw/zinc/64/61/28/794646128.db2.gz CKULQRYWCYCVBZ-NWDGAFQWSA-N 1 0 336.392 -1.078 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278015331 794646707 /nfs/dbraw/zinc/64/67/07/794646707.db2.gz CKULQRYWCYCVBZ-RYUDHWBXSA-N 1 0 336.392 -1.078 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001278015332 794646102 /nfs/dbraw/zinc/64/61/02/794646102.db2.gz CKULQRYWCYCVBZ-VXGBXAGGSA-N 1 0 336.392 -1.078 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025351 794646887 /nfs/dbraw/zinc/64/68/87/794646887.db2.gz MCYHCSPUHMLISO-GHMZBOCLSA-N 1 0 349.395 -2.049 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025352 794646478 /nfs/dbraw/zinc/64/64/78/794646478.db2.gz MCYHCSPUHMLISO-MNOVXSKESA-N 1 0 349.395 -2.049 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025353 794646223 /nfs/dbraw/zinc/64/62/23/794646223.db2.gz MCYHCSPUHMLISO-QWRGUYRKSA-N 1 0 349.395 -2.049 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025354 794646314 /nfs/dbraw/zinc/64/63/14/794646314.db2.gz MCYHCSPUHMLISO-WDEREUQCSA-N 1 0 349.395 -2.049 20 30 EAEDRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CO)CNC(=O)CSCC#N)CCO1 ZINC001278047274 794647535 /nfs/dbraw/zinc/64/75/35/794647535.db2.gz BOUPRVVGUJOFGY-NEPJUHHUSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@H]1CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N)CCO1 ZINC001278047275 794647423 /nfs/dbraw/zinc/64/74/23/794647423.db2.gz BOUPRVVGUJOFGY-NWDGAFQWSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@H]1CN(C(=O)C[NH2+][C@H](CO)CNC(=O)CSCC#N)CCO1 ZINC001278047276 794647835 /nfs/dbraw/zinc/64/78/35/794647835.db2.gz BOUPRVVGUJOFGY-RYUDHWBXSA-N 1 0 344.437 -1.443 20 30 EAEDRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N)CCO1 ZINC001278047277 794648057 /nfs/dbraw/zinc/64/80/57/794648057.db2.gz BOUPRVVGUJOFGY-VXGBXAGGSA-N 1 0 344.437 -1.443 20 30 EAEDRO N#CCSCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278048432 794647274 /nfs/dbraw/zinc/64/72/74/794647274.db2.gz PGSFJZGDZPKFFU-LLVKDONJSA-N 1 0 330.410 -1.831 20 30 EAEDRO N#CCSCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278048433 794647341 /nfs/dbraw/zinc/64/73/41/794647341.db2.gz PGSFJZGDZPKFFU-NSHDSACASA-N 1 0 330.410 -1.831 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncs1 ZINC001278048520 794648154 /nfs/dbraw/zinc/64/81/54/794648154.db2.gz QKWNVCHUPMJOCE-SECBINFHSA-N 1 0 341.393 -1.165 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncs1 ZINC001278048521 794648111 /nfs/dbraw/zinc/64/81/11/794648111.db2.gz QKWNVCHUPMJOCE-VIFPVBQESA-N 1 0 341.393 -1.165 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)C1=O ZINC001278054881 794647864 /nfs/dbraw/zinc/64/78/64/794647864.db2.gz XPIXLACXEMZEPP-GHMZBOCLSA-N 1 0 333.410 -2.115 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)C1=O ZINC001278054882 794648022 /nfs/dbraw/zinc/64/80/22/794648022.db2.gz XPIXLACXEMZEPP-MNOVXSKESA-N 1 0 333.410 -2.115 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)C1=O ZINC001278054883 794648276 /nfs/dbraw/zinc/64/82/76/794648276.db2.gz XPIXLACXEMZEPP-QWRGUYRKSA-N 1 0 333.410 -2.115 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)C1=O ZINC001278054884 794647352 /nfs/dbraw/zinc/64/73/52/794647352.db2.gz XPIXLACXEMZEPP-WDEREUQCSA-N 1 0 333.410 -2.115 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278071003 794649081 /nfs/dbraw/zinc/64/90/81/794649081.db2.gz LTOPKNTUBIIEDK-GWCFXTLKSA-N 1 0 326.397 -1.778 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278071006 794648783 /nfs/dbraw/zinc/64/87/83/794648783.db2.gz LTOPKNTUBIIEDK-GXFFZTMASA-N 1 0 326.397 -1.778 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278071008 794649328 /nfs/dbraw/zinc/64/93/28/794649328.db2.gz LTOPKNTUBIIEDK-MFKMUULPSA-N 1 0 326.397 -1.778 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278071010 794649355 /nfs/dbraw/zinc/64/93/55/794649355.db2.gz LTOPKNTUBIIEDK-ZWNOBZJWSA-N 1 0 326.397 -1.778 20 30 EAEDRO CC(C)(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278076812 794649248 /nfs/dbraw/zinc/64/92/48/794649248.db2.gz BLOXYGUMLOHCBJ-CYBMUJFWSA-N 1 0 325.409 -1.039 20 30 EAEDRO CC(C)(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001278076813 794648695 /nfs/dbraw/zinc/64/86/95/794648695.db2.gz BLOXYGUMLOHCBJ-ZDUSSCGKSA-N 1 0 325.409 -1.039 20 30 EAEDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278078279 794649426 /nfs/dbraw/zinc/64/94/26/794649426.db2.gz UWZYMHJMXOIILE-NEPJUHHUSA-N 1 0 326.397 -1.053 20 30 EAEDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001278078280 794649127 /nfs/dbraw/zinc/64/91/27/794649127.db2.gz UWZYMHJMXOIILE-NWDGAFQWSA-N 1 0 326.397 -1.053 20 30 EAEDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278078281 794649145 /nfs/dbraw/zinc/64/91/45/794649145.db2.gz UWZYMHJMXOIILE-RYUDHWBXSA-N 1 0 326.397 -1.053 20 30 EAEDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001278078282 794649164 /nfs/dbraw/zinc/64/91/64/794649164.db2.gz UWZYMHJMXOIILE-VXGBXAGGSA-N 1 0 326.397 -1.053 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001278084883 794649227 /nfs/dbraw/zinc/64/92/27/794649227.db2.gz HOTNZPIYXUPNDP-GHMZBOCLSA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001278084884 794649087 /nfs/dbraw/zinc/64/90/87/794649087.db2.gz HOTNZPIYXUPNDP-MNOVXSKESA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001278084885 794649365 /nfs/dbraw/zinc/64/93/65/794649365.db2.gz HOTNZPIYXUPNDP-QWRGUYRKSA-N 1 0 347.379 -1.505 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001278084886 794648981 /nfs/dbraw/zinc/64/89/81/794648981.db2.gz HOTNZPIYXUPNDP-WDEREUQCSA-N 1 0 347.379 -1.505 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001278092540 794649074 /nfs/dbraw/zinc/64/90/74/794649074.db2.gz BOGCMZZIVHTLPK-LLVKDONJSA-N 1 0 336.396 -1.537 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001278092542 794649232 /nfs/dbraw/zinc/64/92/32/794649232.db2.gz BOGCMZZIVHTLPK-NSHDSACASA-N 1 0 336.396 -1.537 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C2CC2)nn1C ZINC001278093549 794651010 /nfs/dbraw/zinc/65/10/10/794651010.db2.gz MXSARHJUHMICJV-GFCCVEGCSA-N 1 0 333.392 -1.273 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C2CC2)nn1C ZINC001278093550 794650983 /nfs/dbraw/zinc/65/09/83/794650983.db2.gz MXSARHJUHMICJV-LBPRGKRZSA-N 1 0 333.392 -1.273 20 30 EAEDRO Cn1cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c(C2CC2)n1 ZINC001278093591 794650579 /nfs/dbraw/zinc/65/05/79/794650579.db2.gz NRSQJYRLVBMNBX-LLVKDONJSA-N 1 0 334.380 -1.382 20 30 EAEDRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)c(C2CC2)n1 ZINC001278093592 794650237 /nfs/dbraw/zinc/65/02/37/794650237.db2.gz NRSQJYRLVBMNBX-NSHDSACASA-N 1 0 334.380 -1.382 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn2ncccc12 ZINC001278093803 794650620 /nfs/dbraw/zinc/65/06/20/794650620.db2.gz RDEZTHRBURCDJC-LLVKDONJSA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn2ncccc12 ZINC001278093804 794650525 /nfs/dbraw/zinc/65/05/25/794650525.db2.gz RDEZTHRBURCDJC-NSHDSACASA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001278094023 794650888 /nfs/dbraw/zinc/65/08/88/794650888.db2.gz RONWQBNMGQBZJY-GFCCVEGCSA-N 1 0 333.392 -1.273 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001278094024 794650591 /nfs/dbraw/zinc/65/05/91/794650591.db2.gz RONWQBNMGQBZJY-LBPRGKRZSA-N 1 0 333.392 -1.273 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncc(C)cc1OC ZINC001278094111 794650126 /nfs/dbraw/zinc/65/01/26/794650126.db2.gz UAZCMRCPGNYELD-GFCCVEGCSA-N 1 0 334.376 -1.172 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncc(C)cc1OC ZINC001278094112 794650201 /nfs/dbraw/zinc/65/02/01/794650201.db2.gz UAZCMRCPGNYELD-LBPRGKRZSA-N 1 0 334.376 -1.172 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001278094255 794650794 /nfs/dbraw/zinc/65/07/94/794650794.db2.gz UYZXVRUKURWJQF-GXTWGEPZSA-N 1 0 345.403 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001278094256 794650256 /nfs/dbraw/zinc/65/02/56/794650256.db2.gz UYZXVRUKURWJQF-JSGCOSHPSA-N 1 0 345.403 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001278094257 794650092 /nfs/dbraw/zinc/65/00/92/794650092.db2.gz UYZXVRUKURWJQF-OCCSQVGLSA-N 1 0 345.403 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001278094258 794650075 /nfs/dbraw/zinc/65/00/75/794650075.db2.gz UYZXVRUKURWJQF-TZMCWYRMSA-N 1 0 345.403 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001278094302 794650465 /nfs/dbraw/zinc/65/04/65/794650465.db2.gz VTTIGKQOVFWULM-GFCCVEGCSA-N 1 0 347.375 -1.530 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001278094303 794649977 /nfs/dbraw/zinc/64/99/77/794649977.db2.gz VTTIGKQOVFWULM-LBPRGKRZSA-N 1 0 347.375 -1.530 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncc2ncn(C)c21 ZINC001278098945 794650441 /nfs/dbraw/zinc/65/04/41/794650441.db2.gz APCYMVIIMPLECA-LLVKDONJSA-N 1 0 344.375 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncc2ncn(C)c21 ZINC001278098946 794650274 /nfs/dbraw/zinc/65/02/74/794650274.db2.gz APCYMVIIMPLECA-NSHDSACASA-N 1 0 344.375 -1.602 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001278098989 794650487 /nfs/dbraw/zinc/65/04/87/794650487.db2.gz BFHZIVWJSZLUBB-LLVKDONJSA-N 1 0 335.364 -2.157 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001278098990 794650063 /nfs/dbraw/zinc/65/00/63/794650063.db2.gz BFHZIVWJSZLUBB-NSHDSACASA-N 1 0 335.364 -2.157 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001278099087 794650907 /nfs/dbraw/zinc/65/09/07/794650907.db2.gz COVRJDVINUPHNF-GFCCVEGCSA-N 1 0 329.360 -1.007 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001278099088 794650283 /nfs/dbraw/zinc/65/02/83/794650283.db2.gz COVRJDVINUPHNF-LBPRGKRZSA-N 1 0 329.360 -1.007 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001278099633 794650874 /nfs/dbraw/zinc/65/08/74/794650874.db2.gz NCIHQCTYKQPFEZ-GHMZBOCLSA-N 1 0 326.397 -1.649 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001278099635 794650923 /nfs/dbraw/zinc/65/09/23/794650923.db2.gz NCIHQCTYKQPFEZ-MNOVXSKESA-N 1 0 326.397 -1.649 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001278099637 794650323 /nfs/dbraw/zinc/65/03/23/794650323.db2.gz NCIHQCTYKQPFEZ-QWRGUYRKSA-N 1 0 326.397 -1.649 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)C1=O ZINC001278099638 794650172 /nfs/dbraw/zinc/65/01/72/794650172.db2.gz NCIHQCTYKQPFEZ-WDEREUQCSA-N 1 0 326.397 -1.649 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001278099821 794652173 /nfs/dbraw/zinc/65/21/73/794652173.db2.gz PVRFTOAQKOWKCZ-LLVKDONJSA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001278099822 794651944 /nfs/dbraw/zinc/65/19/44/794651944.db2.gz PVRFTOAQKOWKCZ-NSHDSACASA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001278100173 794652007 /nfs/dbraw/zinc/65/20/07/794652007.db2.gz VITXJFMHLYGQAI-NEPJUHHUSA-N 1 0 349.391 -1.769 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001278100174 794652156 /nfs/dbraw/zinc/65/21/56/794652156.db2.gz VITXJFMHLYGQAI-NWDGAFQWSA-N 1 0 349.391 -1.769 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001278100175 794652066 /nfs/dbraw/zinc/65/20/66/794652066.db2.gz VITXJFMHLYGQAI-RYUDHWBXSA-N 1 0 349.391 -1.769 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001278100176 794651434 /nfs/dbraw/zinc/65/14/34/794651434.db2.gz VITXJFMHLYGQAI-VXGBXAGGSA-N 1 0 349.391 -1.769 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001278100681 794652340 /nfs/dbraw/zinc/65/23/40/794652340.db2.gz ZZNHOZZLFBTFEA-GFCCVEGCSA-N 1 0 336.392 -1.324 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001278100682 794651898 /nfs/dbraw/zinc/65/18/98/794651898.db2.gz ZZNHOZZLFBTFEA-LBPRGKRZSA-N 1 0 336.392 -1.324 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001278105028 794651642 /nfs/dbraw/zinc/65/16/42/794651642.db2.gz DTTAFFAKFUJNRF-LLVKDONJSA-N 1 0 333.392 -1.282 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001278105029 794651865 /nfs/dbraw/zinc/65/18/65/794651865.db2.gz DTTAFFAKFUJNRF-NSHDSACASA-N 1 0 333.392 -1.282 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001278105115 794651723 /nfs/dbraw/zinc/65/17/23/794651723.db2.gz FCDLALBWOZJWGQ-AAEUAGOBSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001278105116 794651978 /nfs/dbraw/zinc/65/19/78/794651978.db2.gz FCDLALBWOZJWGQ-DGCLKSJQSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001278105118 794652058 /nfs/dbraw/zinc/65/20/58/794652058.db2.gz FCDLALBWOZJWGQ-WCQYABFASA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001278105120 794652048 /nfs/dbraw/zinc/65/20/48/794652048.db2.gz FCDLALBWOZJWGQ-YPMHNXCESA-N 1 0 336.392 -1.244 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncnc2[nH]ccc21 ZINC001278105260 794652395 /nfs/dbraw/zinc/65/23/95/794652395.db2.gz HREOHZXKYOTCOM-JTQLQIEISA-N 1 0 330.348 -1.661 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncnc2[nH]ccc21 ZINC001278105261 794651536 /nfs/dbraw/zinc/65/15/36/794651536.db2.gz HREOHZXKYOTCOM-SNVBAGLBSA-N 1 0 330.348 -1.661 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105520 794651809 /nfs/dbraw/zinc/65/18/09/794651809.db2.gz KVTBKPVDWUVNEG-CMPLNLGQSA-N 1 0 345.421 -2.374 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105521 794652380 /nfs/dbraw/zinc/65/23/80/794652380.db2.gz KVTBKPVDWUVNEG-JQWIXIFHSA-N 1 0 345.421 -2.374 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105522 794652311 /nfs/dbraw/zinc/65/23/11/794652311.db2.gz KVTBKPVDWUVNEG-PWSUYJOCSA-N 1 0 345.421 -2.374 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105523 794652388 /nfs/dbraw/zinc/65/23/88/794652388.db2.gz KVTBKPVDWUVNEG-ZYHUDNBSSA-N 1 0 345.421 -2.374 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001278105663 794652231 /nfs/dbraw/zinc/65/22/31/794652231.db2.gz LSPFWEQDRJVTLG-CHWSQXEVSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001278105664 794651214 /nfs/dbraw/zinc/65/12/14/794651214.db2.gz LSPFWEQDRJVTLG-OLZOCXBDSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001278105665 794651227 /nfs/dbraw/zinc/65/12/27/794651227.db2.gz LSPFWEQDRJVTLG-QWHCGFSZSA-N 1 0 335.408 -1.186 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001278105666 794651523 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C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001278106078 794651706 /nfs/dbraw/zinc/65/17/06/794651706.db2.gz TXXOMKCRYRUQMF-STQMWFEESA-N 1 0 333.392 -1.738 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001278111731 794652966 /nfs/dbraw/zinc/65/29/66/794652966.db2.gz DOUXSUCRESMQMU-CHWSQXEVSA-N 1 0 326.397 -1.506 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001278111732 794653118 /nfs/dbraw/zinc/65/31/18/794653118.db2.gz DOUXSUCRESMQMU-OLZOCXBDSA-N 1 0 326.397 -1.506 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001278111782 794653129 /nfs/dbraw/zinc/65/31/29/794653129.db2.gz DOUXSUCRESMQMU-QWHCGFSZSA-N 1 0 326.397 -1.506 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001278111783 794653269 /nfs/dbraw/zinc/65/32/69/794653269.db2.gz DOUXSUCRESMQMU-STQMWFEESA-N 1 0 326.397 -1.506 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001278111918 794652936 /nfs/dbraw/zinc/65/29/36/794652936.db2.gz GIMPQMMGXFYABG-NEPJUHHUSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001278111920 794653332 /nfs/dbraw/zinc/65/33/32/794653332.db2.gz GIMPQMMGXFYABG-NWDGAFQWSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001278111922 794653252 /nfs/dbraw/zinc/65/32/52/794653252.db2.gz GIMPQMMGXFYABG-RYUDHWBXSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001278111923 794653211 /nfs/dbraw/zinc/65/32/11/794653211.db2.gz GIMPQMMGXFYABG-VXGBXAGGSA-N 1 0 336.392 -1.244 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnc(Cl)n1C ZINC001278112640 794653292 /nfs/dbraw/zinc/65/32/92/794653292.db2.gz NJJJDLCQFCHXEB-NXEZZACHSA-N 1 0 341.799 -1.108 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cnc(Cl)n1C ZINC001278112647 794652980 /nfs/dbraw/zinc/65/29/80/794652980.db2.gz NJJJDLCQFCHXEB-UWVGGRQHSA-N 1 0 341.799 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ZINC001278112703 794653017 /nfs/dbraw/zinc/65/30/17/794653017.db2.gz ODUZOMGMZZKLQY-YPMHNXCESA-N 1 0 349.391 -1.048 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncc2ccccn21 ZINC001278113183 794653356 /nfs/dbraw/zinc/65/33/56/794653356.db2.gz SZMVVEXXMGJSBK-GFCCVEGCSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncc2ccccn21 ZINC001278113184 794653276 /nfs/dbraw/zinc/65/32/76/794653276.db2.gz SZMVVEXXMGJSBK-LBPRGKRZSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001278113493 794653006 /nfs/dbraw/zinc/65/30/06/794653006.db2.gz XSSAMHRSJMPOJD-JTQLQIEISA-N 1 0 337.332 -1.922 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001278113494 794653144 /nfs/dbraw/zinc/65/31/44/794653144.db2.gz XSSAMHRSJMPOJD-SNVBAGLBSA-N 1 0 337.332 -1.922 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001278127756 794654357 /nfs/dbraw/zinc/65/43/57/794654357.db2.gz DXDGYROXRVZICW-GHMZBOCLSA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001278127757 794654758 /nfs/dbraw/zinc/65/47/58/794654758.db2.gz DXDGYROXRVZICW-MNOVXSKESA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001278127758 794654736 /nfs/dbraw/zinc/65/47/36/794654736.db2.gz DXDGYROXRVZICW-QWRGUYRKSA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001278127759 794654797 /nfs/dbraw/zinc/65/47/97/794654797.db2.gz DXDGYROXRVZICW-WDEREUQCSA-N 1 0 337.380 -1.407 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001278128485 794654618 /nfs/dbraw/zinc/65/46/18/794654618.db2.gz INQMOJZNXARUTP-LLVKDONJSA-N 1 0 337.380 -1.218 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001278128486 794653767 /nfs/dbraw/zinc/65/37/67/794653767.db2.gz INQMOJZNXARUTP-NSHDSACASA-N 1 0 337.380 -1.218 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001278136914 794654554 /nfs/dbraw/zinc/65/45/54/794654554.db2.gz BLSKDKKDVCKNSK-BDAKNGLRSA-N 1 0 326.378 -1.333 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001278136915 794653824 /nfs/dbraw/zinc/65/38/24/794653824.db2.gz BLSKDKKDVCKNSK-DTWKUNHWSA-N 1 0 326.378 -1.333 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001278136916 794654728 /nfs/dbraw/zinc/65/47/28/794654728.db2.gz BLSKDKKDVCKNSK-IUCAKERBSA-N 1 0 326.378 -1.333 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001278136917 794653840 /nfs/dbraw/zinc/65/38/40/794653840.db2.gz BLSKDKKDVCKNSK-RKDXNWHRSA-N 1 0 326.378 -1.333 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001278137072 794654676 /nfs/dbraw/zinc/65/46/76/794654676.db2.gz CDTDEKFSRBLEID-OLZOCXBDSA-N 1 0 338.408 -1.798 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001278137073 794654781 /nfs/dbraw/zinc/65/47/81/794654781.db2.gz CDTDEKFSRBLEID-STQMWFEESA-N 1 0 338.408 -1.798 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2n[nH]cc2c1 ZINC001278137244 794654588 /nfs/dbraw/zinc/65/45/88/794654588.db2.gz DLUGYHFMMXJCJX-CYBMUJFWSA-N 1 0 329.360 -1.007 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2n[nH]cc2c1 ZINC001278137245 794654501 /nfs/dbraw/zinc/65/45/01/794654501.db2.gz DLUGYHFMMXJCJX-ZDUSSCGKSA-N 1 0 329.360 -1.007 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278139798 794655921 /nfs/dbraw/zinc/65/59/21/794655921.db2.gz VXOUKVMYWVLRAF-DCQANWLSSA-N 1 0 340.380 -2.043 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278139802 794655239 /nfs/dbraw/zinc/65/52/39/794655239.db2.gz VXOUKVMYWVLRAF-MEWQQHAOSA-N 1 0 340.380 -2.043 20 30 EAEDRO O=C(NC[C@@H](CO)[NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001278139859 794655403 /nfs/dbraw/zinc/65/54/03/794655403.db2.gz WFXPXHUGOYTWNL-KBPBESRZSA-N 1 0 334.351 -1.075 20 30 EAEDRO O=C(NC[C@H](CO)[NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001278139862 794656146 /nfs/dbraw/zinc/65/61/46/794656146.db2.gz WFXPXHUGOYTWNL-KGLIPLIRSA-N 1 0 334.351 -1.075 20 30 EAEDRO O=C(NC[C@@H](CO)[NH2+]CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001278139865 794655962 /nfs/dbraw/zinc/65/59/62/794655962.db2.gz WFXPXHUGOYTWNL-UONOGXRCSA-N 1 0 334.351 -1.075 20 30 EAEDRO O=C(NC[C@H](CO)[NH2+]CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001278139868 794655897 /nfs/dbraw/zinc/65/58/97/794655897.db2.gz WFXPXHUGOYTWNL-ZIAGYGMSSA-N 1 0 334.351 -1.075 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001278146969 794655418 /nfs/dbraw/zinc/65/54/18/794655418.db2.gz JBQLZLCJEBJYSZ-NEPJUHHUSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001278146971 794655558 /nfs/dbraw/zinc/65/55/58/794655558.db2.gz JBQLZLCJEBJYSZ-NWDGAFQWSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001278146973 794655779 /nfs/dbraw/zinc/65/57/79/794655779.db2.gz JBQLZLCJEBJYSZ-RYUDHWBXSA-N 1 0 336.392 -1.244 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001278146974 794655800 /nfs/dbraw/zinc/65/58/00/794655800.db2.gz JBQLZLCJEBJYSZ-VXGBXAGGSA-N 1 0 336.392 -1.244 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccc2c1OCC2 ZINC001278154191 794655836 /nfs/dbraw/zinc/65/58/36/794655836.db2.gz AJLPOTAOQCRHTM-GFCCVEGCSA-N 1 0 332.360 -1.058 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccc2c1OCC2 ZINC001278154192 794655638 /nfs/dbraw/zinc/65/56/38/794655638.db2.gz AJLPOTAOQCRHTM-LBPRGKRZSA-N 1 0 332.360 -1.058 20 30 EAEDRO C#CCN(C(=O)CCNS(C)(=O)=O)C1CC[NH+](CCO)CC1 ZINC001278157173 794655366 /nfs/dbraw/zinc/65/53/66/794655366.db2.gz CGSTVRWIAFVHEA-UHFFFAOYSA-N 1 0 331.438 -1.156 20 30 EAEDRO C#CCN(C(=O)CNC(=O)NC)C1CC[NH+](CCOCCO)CC1 ZINC001278157370 794655732 /nfs/dbraw/zinc/65/57/32/794655732.db2.gz KFEDTVKLZXOHET-UHFFFAOYSA-N 1 0 340.424 -1.150 20 30 EAEDRO C#CCN(C(=O)CN1CCCS1(=O)=O)C1CC[NH+](CCO)CC1 ZINC001278157512 794656962 /nfs/dbraw/zinc/65/69/62/794656962.db2.gz NMOUJCSMGXNKDN-UHFFFAOYSA-N 1 0 343.449 -1.060 20 30 EAEDRO C#CCN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CC[NH+](CCO)CC1 ZINC001278157602 794657136 /nfs/dbraw/zinc/65/71/36/794657136.db2.gz PIYQQLWQIJWDIQ-UHFFFAOYSA-N 1 0 348.403 -1.535 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cn1ncn2nccc2c1=O ZINC001278164768 794657736 /nfs/dbraw/zinc/65/77/36/794657736.db2.gz MMPGHWMMAVLJMW-GFCCVEGCSA-N 1 0 348.363 -2.393 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cn1ncn2nccc2c1=O ZINC001278164769 794656704 /nfs/dbraw/zinc/65/67/04/794656704.db2.gz MMPGHWMMAVLJMW-LBPRGKRZSA-N 1 0 348.363 -2.393 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001278164954 794657657 /nfs/dbraw/zinc/65/76/57/794657657.db2.gz QIRVTVRYDXGNBX-JTQLQIEISA-N 1 0 340.336 -2.877 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001278164955 794656683 /nfs/dbraw/zinc/65/66/83/794656683.db2.gz QIRVTVRYDXGNBX-SNVBAGLBSA-N 1 0 340.336 -2.877 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc(Cl)cn1 ZINC001278165405 794657387 /nfs/dbraw/zinc/65/73/87/794657387.db2.gz WPDSCNSQOVJNTO-CMPLNLGQSA-N 1 0 341.799 -1.259 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc(Cl)cn1 ZINC001278165407 794657762 /nfs/dbraw/zinc/65/77/62/794657762.db2.gz WPDSCNSQOVJNTO-JQWIXIFHSA-N 1 0 341.799 -1.259 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc(Cl)cn1 ZINC001278165408 794657705 /nfs/dbraw/zinc/65/77/05/794657705.db2.gz WPDSCNSQOVJNTO-PWSUYJOCSA-N 1 0 341.799 -1.259 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc(Cl)cn1 ZINC001278165409 794657684 /nfs/dbraw/zinc/65/76/84/794657684.db2.gz WPDSCNSQOVJNTO-ZYHUDNBSSA-N 1 0 341.799 -1.259 20 30 EAEDRO C#CCN(C(=O)CNS(=O)(=O)NC)C1CC[NH+](CC#CC)CC1 ZINC001278169397 794656671 /nfs/dbraw/zinc/65/66/71/794656671.db2.gz MIISKKYXJNIFLH-UHFFFAOYSA-N 1 0 340.449 -1.010 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(NC(C)=O)CCCC1 ZINC001278171687 794656759 /nfs/dbraw/zinc/65/67/59/794656759.db2.gz KLBFVDFSBFRNLU-CYBMUJFWSA-N 1 0 338.408 -1.749 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1(NC(C)=O)CCCC1 ZINC001278171688 794657783 /nfs/dbraw/zinc/65/77/83/794657783.db2.gz KLBFVDFSBFRNLU-ZDUSSCGKSA-N 1 0 338.408 -1.749 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCOCC1 ZINC001278171967 794657797 /nfs/dbraw/zinc/65/77/97/794657797.db2.gz OCNOSZILALPNPK-CYBMUJFWSA-N 1 0 340.424 -2.087 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCOCC1 ZINC001278171968 794657203 /nfs/dbraw/zinc/65/72/03/794657203.db2.gz OCNOSZILALPNPK-ZDUSSCGKSA-N 1 0 340.424 -2.087 20 30 EAEDRO C#CCN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](CCn2cncn2)CC1 ZINC001278176867 794658625 /nfs/dbraw/zinc/65/86/25/794658625.db2.gz CNQTYTJLAPGOCB-AWEZNQCLSA-N 1 0 345.407 -1.114 20 30 EAEDRO C#CCN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](CCn2cncn2)CC1 ZINC001278176868 794659096 /nfs/dbraw/zinc/65/90/96/794659096.db2.gz CNQTYTJLAPGOCB-CQSZACIVSA-N 1 0 345.407 -1.114 20 30 EAEDRO C#CCN(C(=O)c1nnn(C)n1)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001278176873 794658847 /nfs/dbraw/zinc/65/88/47/794658847.db2.gz CPOOCWGANUXPEJ-CYBMUJFWSA-N 1 0 336.396 -1.243 20 30 EAEDRO C#CCN(C(=O)c1nnn(C)n1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001278176874 794659183 /nfs/dbraw/zinc/65/91/83/794659183.db2.gz CPOOCWGANUXPEJ-ZDUSSCGKSA-N 1 0 336.396 -1.243 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2nccn2c1 ZINC001278178418 794658604 /nfs/dbraw/zinc/65/86/04/794658604.db2.gz GCVSSYDMONNXHI-CYBMUJFWSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2nccn2c1 ZINC001278178419 794659124 /nfs/dbraw/zinc/65/91/24/794659124.db2.gz GCVSSYDMONNXHI-ZDUSSCGKSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001278178438 794659075 /nfs/dbraw/zinc/65/90/75/794659075.db2.gz GMUUPFMYPMQOMM-CHWSQXEVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001278178439 794658974 /nfs/dbraw/zinc/65/89/74/794658974.db2.gz GMUUPFMYPMQOMM-OLZOCXBDSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001278178440 794659069 /nfs/dbraw/zinc/65/90/69/794659069.db2.gz GMUUPFMYPMQOMM-QWHCGFSZSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001278178441 794658545 /nfs/dbraw/zinc/65/85/45/794658545.db2.gz GMUUPFMYPMQOMM-STQMWFEESA-N 1 0 338.408 -1.939 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001278178474 794659161 /nfs/dbraw/zinc/65/91/61/794659161.db2.gz HFXJMOFHHKACFD-GDBMZVCRSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001278178475 794658400 /nfs/dbraw/zinc/65/84/00/794658400.db2.gz HFXJMOFHHKACFD-GOEBONIOSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001278178476 794659169 /nfs/dbraw/zinc/65/91/69/794659169.db2.gz HFXJMOFHHKACFD-HOCLYGCPSA-N 1 0 325.409 -1.039 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001278178477 794659012 /nfs/dbraw/zinc/65/90/12/794659012.db2.gz HFXJMOFHHKACFD-ZBFHGGJFSA-N 1 0 325.409 -1.039 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn2c1CCCC2 ZINC001278178510 794658367 /nfs/dbraw/zinc/65/83/67/794658367.db2.gz HWBXAXFMBFTZDB-GFCCVEGCSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCCC2 ZINC001278178511 794658594 /nfs/dbraw/zinc/65/85/94/794658594.db2.gz HWBXAXFMBFTZDB-LBPRGKRZSA-N 1 0 333.392 -1.351 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(CC)c[nH]c1=O ZINC001278178996 794658310 /nfs/dbraw/zinc/65/83/10/794658310.db2.gz MVABQHVKNHUSEK-GFCCVEGCSA-N 1 0 334.376 -1.221 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(CC)c[nH]c1=O ZINC001278178997 794658557 /nfs/dbraw/zinc/65/85/57/794658557.db2.gz MVABQHVKNHUSEK-LBPRGKRZSA-N 1 0 334.376 -1.221 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2cn(CC)nn2)C1=O ZINC001278179815 794658778 /nfs/dbraw/zinc/65/87/78/794658778.db2.gz VHJUOOGDFJSUPC-NEPJUHHUSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2cn(CC)nn2)C1=O ZINC001278179816 794659146 /nfs/dbraw/zinc/65/91/46/794659146.db2.gz VHJUOOGDFJSUPC-NWDGAFQWSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2cn(CC)nn2)C1=O ZINC001278179818 794658708 /nfs/dbraw/zinc/65/87/08/794658708.db2.gz VHJUOOGDFJSUPC-RYUDHWBXSA-N 1 0 336.396 -1.235 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2cn(CC)nn2)C1=O ZINC001278179819 794658889 /nfs/dbraw/zinc/65/88/89/794658889.db2.gz VHJUOOGDFJSUPC-VXGBXAGGSA-N 1 0 336.396 -1.235 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001278179884 794658387 /nfs/dbraw/zinc/65/83/87/794658387.db2.gz WBTMMYDTDUJHFN-NEPJUHHUSA-N 1 0 328.413 -1.214 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001278179909 794658696 /nfs/dbraw/zinc/65/86/96/794658696.db2.gz WBTMMYDTDUJHFN-NWDGAFQWSA-N 1 0 328.413 -1.214 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001278179910 794659064 /nfs/dbraw/zinc/65/90/64/794659064.db2.gz WBTMMYDTDUJHFN-RYUDHWBXSA-N 1 0 328.413 -1.214 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001278179911 794659192 /nfs/dbraw/zinc/65/91/92/794659192.db2.gz WBTMMYDTDUJHFN-VXGBXAGGSA-N 1 0 328.413 -1.214 20 30 EAEDRO C#CCN(C(=O)CNS(=O)(=O)N(C)C)C1CC[NH+](CC#C)CC1 ZINC001278183653 794658665 /nfs/dbraw/zinc/65/86/65/794658665.db2.gz AAZHPLQGPVIZMA-UHFFFAOYSA-N 1 0 340.449 -1.058 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)cn1 ZINC001278186204 794659188 /nfs/dbraw/zinc/65/91/88/794659188.db2.gz ADZJNUUZEAMTBI-CYBMUJFWSA-N 1 0 325.390 -1.212 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)cn1 ZINC001278186206 794658963 /nfs/dbraw/zinc/65/89/63/794658963.db2.gz ADZJNUUZEAMTBI-ZDUSSCGKSA-N 1 0 325.390 -1.212 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001278186545 794660081 /nfs/dbraw/zinc/66/00/81/794660081.db2.gz GPETWUFQPMLNTP-GHMZBOCLSA-N 1 0 332.364 -1.519 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001278186546 794660593 /nfs/dbraw/zinc/66/05/93/794660593.db2.gz GPETWUFQPMLNTP-MNOVXSKESA-N 1 0 332.364 -1.519 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001278186547 794660236 /nfs/dbraw/zinc/66/02/36/794660236.db2.gz GPETWUFQPMLNTP-QWRGUYRKSA-N 1 0 332.364 -1.519 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001278186548 794660395 /nfs/dbraw/zinc/66/03/95/794660395.db2.gz GPETWUFQPMLNTP-WDEREUQCSA-N 1 0 332.364 -1.519 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001278187444 794660179 /nfs/dbraw/zinc/66/01/79/794660179.db2.gz QFJRPJRDIWSRSV-HNNXBMFYSA-N 1 0 346.387 -1.398 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCOCC2)cn1 ZINC001278187445 794659751 /nfs/dbraw/zinc/65/97/51/794659751.db2.gz QFJRPJRDIWSRSV-OAHLLOKOSA-N 1 0 346.387 -1.398 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c(cn1)OCCC2 ZINC001278187647 794660014 /nfs/dbraw/zinc/66/00/14/794660014.db2.gz VOJHZYJZDPYLJN-CYBMUJFWSA-N 1 0 346.387 -1.164 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc2c(cn1)OCCC2 ZINC001278187648 794660257 /nfs/dbraw/zinc/66/02/57/794660257.db2.gz VOJHZYJZDPYLJN-ZDUSSCGKSA-N 1 0 346.387 -1.164 20 30 EAEDRO C#CCN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CC[NH+](CCO)CC1 ZINC001278188311 794659631 /nfs/dbraw/zinc/65/96/31/794659631.db2.gz MFWBDPUZVZDVPF-UHFFFAOYSA-N 1 0 348.403 -1.155 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001278193689 794659946 /nfs/dbraw/zinc/65/99/46/794659946.db2.gz BDXDNFLPXMVTPB-CYBMUJFWSA-N 1 0 332.360 -1.785 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001278193690 794660227 /nfs/dbraw/zinc/66/02/27/794660227.db2.gz BDXDNFLPXMVTPB-ZDUSSCGKSA-N 1 0 332.360 -1.785 20 30 EAEDRO C#CCN(C(=O)CN1CCC(=O)NC1=O)C1CC[NH+](CCO)CC1 ZINC001278194437 794660060 /nfs/dbraw/zinc/66/00/60/794660060.db2.gz MVPHZOJPISZUOI-UHFFFAOYSA-N 1 0 336.392 -1.153 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccccc1-n1cnnn1 ZINC001278195917 794662143 /nfs/dbraw/zinc/66/21/43/794662143.db2.gz VNEUACMBNGDNFR-CYBMUJFWSA-N 1 0 344.375 -1.008 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccccc1-n1cnnn1 ZINC001278195919 794661647 /nfs/dbraw/zinc/66/16/47/794661647.db2.gz VNEUACMBNGDNFR-ZDUSSCGKSA-N 1 0 344.375 -1.008 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001278196314 794662048 /nfs/dbraw/zinc/66/20/48/794662048.db2.gz YCLATOIOVIYEHW-SECBINFHSA-N 1 0 325.325 -3.646 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001278196326 794661155 /nfs/dbraw/zinc/66/11/55/794661155.db2.gz YCLATOIOVIYEHW-VIFPVBQESA-N 1 0 325.325 -3.646 20 30 EAEDRO C#CCN(C(=O)CCNC(N)=O)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001278200956 794662098 /nfs/dbraw/zinc/66/20/98/794662098.db2.gz ZKMOMDAUNZOCNM-CQSZACIVSA-N 1 0 340.424 -1.022 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CN1CCc2ccccc21 ZINC001278201337 794662210 /nfs/dbraw/zinc/66/22/10/794662210.db2.gz FFURITFKGZFHSP-HNNXBMFYSA-N 1 0 344.415 -1.135 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CN1CCc2ccccc21 ZINC001278201339 794662168 /nfs/dbraw/zinc/66/21/68/794662168.db2.gz FFURITFKGZFHSP-OAHLLOKOSA-N 1 0 344.415 -1.135 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)NCc2nnnn2C)CC1 ZINC001278201879 794661788 /nfs/dbraw/zinc/66/17/88/794661788.db2.gz LEXFMXIVUQZBFV-CYBMUJFWSA-N 1 0 335.412 -1.878 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)NCc2nnnn2C)CC1 ZINC001278201880 794661137 /nfs/dbraw/zinc/66/11/37/794661137.db2.gz LEXFMXIVUQZBFV-ZDUSSCGKSA-N 1 0 335.412 -1.878 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)NCc2cn(C)nn2)CC1 ZINC001278202419 794662150 /nfs/dbraw/zinc/66/21/50/794662150.db2.gz QQSQLVRAHGQRKF-HNNXBMFYSA-N 1 0 334.424 -1.273 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)NCc2cn(C)nn2)CC1 ZINC001278202420 794661189 /nfs/dbraw/zinc/66/11/89/794661189.db2.gz QQSQLVRAHGQRKF-OAHLLOKOSA-N 1 0 334.424 -1.273 20 30 EAEDRO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c1C1CC1 ZINC001278212409 794661179 /nfs/dbraw/zinc/66/11/79/794661179.db2.gz IVOSWBFGPGTUBC-LLVKDONJSA-N 1 0 334.380 -1.382 20 30 EAEDRO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)c1C1CC1 ZINC001278212411 794661557 /nfs/dbraw/zinc/66/15/57/794661557.db2.gz IVOSWBFGPGTUBC-NSHDSACASA-N 1 0 334.380 -1.382 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001278212546 794662162 /nfs/dbraw/zinc/66/21/62/794662162.db2.gz KJMVURFZEGTOHW-JTQLQIEISA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001278212547 794661147 /nfs/dbraw/zinc/66/11/47/794661147.db2.gz KJMVURFZEGTOHW-SNVBAGLBSA-N 1 0 346.343 -1.037 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1COc2ccccc21 ZINC001278213362 794662239 /nfs/dbraw/zinc/66/22/39/794662239.db2.gz OLUOUBLLHAQWPN-GXTWGEPZSA-N 1 0 331.372 -1.021 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1COc2ccccc21 ZINC001278213371 794662121 /nfs/dbraw/zinc/66/21/21/794662121.db2.gz OLUOUBLLHAQWPN-JSGCOSHPSA-N 1 0 331.372 -1.021 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1COc2ccccc21 ZINC001278213374 794661271 /nfs/dbraw/zinc/66/12/71/794661271.db2.gz OLUOUBLLHAQWPN-OCCSQVGLSA-N 1 0 331.372 -1.021 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COc2ccccc21 ZINC001278213377 794661259 /nfs/dbraw/zinc/66/12/59/794661259.db2.gz OLUOUBLLHAQWPN-TZMCWYRMSA-N 1 0 331.372 -1.021 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001278265754 794664897 /nfs/dbraw/zinc/66/48/97/794664897.db2.gz ZCUJPTHSQCETBY-GHMZBOCLSA-N 1 0 345.425 -1.856 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001278265755 794664885 /nfs/dbraw/zinc/66/48/85/794664885.db2.gz ZCUJPTHSQCETBY-MNOVXSKESA-N 1 0 345.425 -1.856 20 30 EAEDRO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001278265756 794664067 /nfs/dbraw/zinc/66/40/67/794664067.db2.gz ZCUJPTHSQCETBY-WDEREUQCSA-N 1 0 345.425 -1.856 20 30 EAEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCNC(=O)C1 ZINC001278285572 794664485 /nfs/dbraw/zinc/66/44/85/794664485.db2.gz RJCBJNHYBZOTKN-NEPJUHHUSA-N 1 0 336.396 -2.363 20 30 EAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCNC(=O)C1 ZINC001278285574 794664673 /nfs/dbraw/zinc/66/46/73/794664673.db2.gz RJCBJNHYBZOTKN-NWDGAFQWSA-N 1 0 336.396 -2.363 20 30 EAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCNC(=O)C1 ZINC001278285577 794664827 /nfs/dbraw/zinc/66/48/27/794664827.db2.gz RJCBJNHYBZOTKN-VXGBXAGGSA-N 1 0 336.396 -2.363 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]2C)nn1 ZINC001278300643 794666924 /nfs/dbraw/zinc/66/69/24/794666924.db2.gz HNQAUEIWIZQGTA-NXEZZACHSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)nn1 ZINC001278300644 794667266 /nfs/dbraw/zinc/66/72/66/794667266.db2.gz HNQAUEIWIZQGTA-VHSXEESVSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]2C)nn1 ZINC001278300645 794667587 /nfs/dbraw/zinc/66/75/87/794667587.db2.gz HNQAUEIWIZQGTA-ZJUUUORDSA-N 1 0 335.368 -1.148 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001278314422 794666792 /nfs/dbraw/zinc/66/67/92/794666792.db2.gz DPDBOACJSHAZFY-NEPJUHHUSA-N 1 0 334.376 -1.536 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001278314423 794666684 /nfs/dbraw/zinc/66/66/84/794666684.db2.gz DPDBOACJSHAZFY-NWDGAFQWSA-N 1 0 334.376 -1.536 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001278314424 794668663 /nfs/dbraw/zinc/66/86/63/794668663.db2.gz DPDBOACJSHAZFY-VXGBXAGGSA-N 1 0 334.376 -1.536 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001278315496 794668703 /nfs/dbraw/zinc/66/87/03/794668703.db2.gz MAYRSVGNYUIFOK-NEPJUHHUSA-N 1 0 344.437 -1.794 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001278315497 794668229 /nfs/dbraw/zinc/66/82/29/794668229.db2.gz MAYRSVGNYUIFOK-NWDGAFQWSA-N 1 0 344.437 -1.794 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001278315501 794668853 /nfs/dbraw/zinc/66/88/53/794668853.db2.gz MAYRSVGNYUIFOK-VXGBXAGGSA-N 1 0 344.437 -1.794 20 30 EAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1cn(C)nn1 ZINC001278333448 794668485 /nfs/dbraw/zinc/66/84/85/794668485.db2.gz FKMSSPLHBKNNHI-DGCLKSJQSA-N 1 0 333.396 -1.034 20 30 EAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1cn(C)nn1 ZINC001278333449 794668739 /nfs/dbraw/zinc/66/87/39/794668739.db2.gz FKMSSPLHBKNNHI-WCQYABFASA-N 1 0 333.396 -1.034 20 30 EAEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1cn(C)nn1 ZINC001278333450 794668829 /nfs/dbraw/zinc/66/88/29/794668829.db2.gz FKMSSPLHBKNNHI-YPMHNXCESA-N 1 0 333.396 -1.034 20 30 EAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)C1 ZINC001278341285 794668342 /nfs/dbraw/zinc/66/83/42/794668342.db2.gz FTHTVFBZYSDZNA-HNNXBMFYSA-N 1 0 349.435 -1.910 20 30 EAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)C1 ZINC001278341286 794667959 /nfs/dbraw/zinc/66/79/59/794667959.db2.gz FTHTVFBZYSDZNA-OAHLLOKOSA-N 1 0 349.435 -1.910 20 30 EAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCNS(C)(=O)=O)CC2)C1 ZINC001278342059 794668063 /nfs/dbraw/zinc/66/80/63/794668063.db2.gz QRKDJLQXTRLJHN-AWEZNQCLSA-N 1 0 342.465 -1.223 20 30 EAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCNS(C)(=O)=O)CC2)C1 ZINC001278342060 794668834 /nfs/dbraw/zinc/66/88/34/794668834.db2.gz QRKDJLQXTRLJHN-CQSZACIVSA-N 1 0 342.465 -1.223 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001278342769 794668384 /nfs/dbraw/zinc/66/83/84/794668384.db2.gz YZQCQWBPUNZSLU-HNNXBMFYSA-N 1 0 347.423 -1.459 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001278342770 794668686 /nfs/dbraw/zinc/66/86/86/794668686.db2.gz YZQCQWBPUNZSLU-OAHLLOKOSA-N 1 0 347.423 -1.459 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001278349221 794668792 /nfs/dbraw/zinc/66/87/92/794668792.db2.gz CWCCKDQOYGJEFN-OAGGEKHMSA-N 1 0 348.447 -1.024 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001278349222 794668319 /nfs/dbraw/zinc/66/83/19/794668319.db2.gz CWCCKDQOYGJEFN-XHSDSOJGSA-N 1 0 348.447 -1.024 20 30 EAEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001278384037 794669350 /nfs/dbraw/zinc/66/93/50/794669350.db2.gz KKBBDXKLLDHNFL-GXTWGEPZSA-N 1 0 338.408 -1.533 20 30 EAEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001278384039 794669654 /nfs/dbraw/zinc/66/96/54/794669654.db2.gz KKBBDXKLLDHNFL-JSGCOSHPSA-N 1 0 338.408 -1.533 20 30 EAEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001278384040 794669997 /nfs/dbraw/zinc/66/99/97/794669997.db2.gz KKBBDXKLLDHNFL-OCCSQVGLSA-N 1 0 338.408 -1.533 20 30 EAEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001278384042 794670089 /nfs/dbraw/zinc/67/00/89/794670089.db2.gz KKBBDXKLLDHNFL-TZMCWYRMSA-N 1 0 338.408 -1.533 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001278386399 794669413 /nfs/dbraw/zinc/66/94/13/794669413.db2.gz WMWNPICQVVDJPT-CHWSQXEVSA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001278386404 794669062 /nfs/dbraw/zinc/66/90/62/794669062.db2.gz WMWNPICQVVDJPT-OLZOCXBDSA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001278386407 794669938 /nfs/dbraw/zinc/66/99/38/794669938.db2.gz WMWNPICQVVDJPT-QWHCGFSZSA-N 1 0 348.403 -1.146 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001278386409 794669617 /nfs/dbraw/zinc/66/96/17/794669617.db2.gz WMWNPICQVVDJPT-STQMWFEESA-N 1 0 348.403 -1.146 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001278386924 794669764 /nfs/dbraw/zinc/66/97/64/794669764.db2.gz ZNDYNEZZWRJHCD-CMPLNLGQSA-N 1 0 342.421 -1.360 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001278386925 794669159 /nfs/dbraw/zinc/66/91/59/794669159.db2.gz ZNDYNEZZWRJHCD-JQWIXIFHSA-N 1 0 342.421 -1.360 20 30 EAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001278386930 794669913 /nfs/dbraw/zinc/66/99/13/794669913.db2.gz ZNDYNEZZWRJHCD-PWSUYJOCSA-N 1 0 342.421 -1.360 20 30 EAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC1CS(=O)(=O)C1 ZINC001278386931 794669890 /nfs/dbraw/zinc/66/98/90/794669890.db2.gz ZNDYNEZZWRJHCD-ZYHUDNBSSA-N 1 0 342.421 -1.360 20 30 EAEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278402867 794669365 /nfs/dbraw/zinc/66/93/65/794669365.db2.gz DLJNBLFBPDWVLX-CHWSQXEVSA-N 1 0 346.453 -1.389 20 30 EAEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278402868 794669825 /nfs/dbraw/zinc/66/98/25/794669825.db2.gz DLJNBLFBPDWVLX-OLZOCXBDSA-N 1 0 346.453 -1.389 20 30 EAEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278402869 794669818 /nfs/dbraw/zinc/66/98/18/794669818.db2.gz DLJNBLFBPDWVLX-QWHCGFSZSA-N 1 0 346.453 -1.389 20 30 EAEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278402870 794670040 /nfs/dbraw/zinc/67/00/40/794670040.db2.gz DLJNBLFBPDWVLX-STQMWFEESA-N 1 0 346.453 -1.389 20 30 EAEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]2C)nn1 ZINC001278404129 794669384 /nfs/dbraw/zinc/66/93/84/794669384.db2.gz MTPUSFVOOXVMBY-NXEZZACHSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]2C)nn1 ZINC001278404131 794669441 /nfs/dbraw/zinc/66/94/41/794669441.db2.gz MTPUSFVOOXVMBY-UWVGGRQHSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]2C)nn1 ZINC001278404132 794669807 /nfs/dbraw/zinc/66/98/07/794669807.db2.gz MTPUSFVOOXVMBY-VHSXEESVSA-N 1 0 335.368 -1.148 20 30 EAEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]2C)nn1 ZINC001278404134 794670060 /nfs/dbraw/zinc/67/00/60/794670060.db2.gz MTPUSFVOOXVMBY-ZJUUUORDSA-N 1 0 335.368 -1.148 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COCc2nncn2C)C1 ZINC001278408472 794669251 /nfs/dbraw/zinc/66/92/51/794669251.db2.gz FJXDJWHAKJTXMF-CHWSQXEVSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COCc2nncn2C)C1 ZINC001278408474 794669428 /nfs/dbraw/zinc/66/94/28/794669428.db2.gz FJXDJWHAKJTXMF-OLZOCXBDSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COCc2nncn2C)C1 ZINC001278408476 794669177 /nfs/dbraw/zinc/66/91/77/794669177.db2.gz FJXDJWHAKJTXMF-QWHCGFSZSA-N 1 0 348.407 -1.340 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)COCc2nncn2C)C1 ZINC001278408477 794669893 /nfs/dbraw/zinc/66/98/93/794669893.db2.gz FJXDJWHAKJTXMF-STQMWFEESA-N 1 0 348.407 -1.340 20 30 EAEDRO Cc1nn(CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)c(=O)n1C ZINC001278417181 794669630 /nfs/dbraw/zinc/66/96/30/794669630.db2.gz UCOZXWNVWXNAQH-CMPLNLGQSA-N 1 0 349.395 -1.891 20 30 EAEDRO Cc1nn(CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)c(=O)n1C ZINC001278417182 794669726 /nfs/dbraw/zinc/66/97/26/794669726.db2.gz UCOZXWNVWXNAQH-JQWIXIFHSA-N 1 0 349.395 -1.891 20 30 EAEDRO Cc1nn(CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]2C)c(=O)n1C ZINC001278417183 794670005 /nfs/dbraw/zinc/67/00/05/794670005.db2.gz UCOZXWNVWXNAQH-PWSUYJOCSA-N 1 0 349.395 -1.891 20 30 EAEDRO Cc1nn(CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]2C)c(=O)n1C ZINC001278417184 794669598 /nfs/dbraw/zinc/66/95/98/794669598.db2.gz UCOZXWNVWXNAQH-ZYHUDNBSSA-N 1 0 349.395 -1.891 20 30 EAEDRO CCS(=O)(=O)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278424624 794670853 /nfs/dbraw/zinc/67/08/53/794670853.db2.gz UGQIZAYXQOMNDT-GHMZBOCLSA-N 1 0 330.410 -1.360 20 30 EAEDRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278424625 794671398 /nfs/dbraw/zinc/67/13/98/794671398.db2.gz UGQIZAYXQOMNDT-MNOVXSKESA-N 1 0 330.410 -1.360 20 30 EAEDRO CCS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278424626 794671509 /nfs/dbraw/zinc/67/15/09/794671509.db2.gz UGQIZAYXQOMNDT-QWRGUYRKSA-N 1 0 330.410 -1.360 20 30 EAEDRO CCS(=O)(=O)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278424627 794671199 /nfs/dbraw/zinc/67/11/99/794671199.db2.gz UGQIZAYXQOMNDT-WDEREUQCSA-N 1 0 330.410 -1.360 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CNC(=O)NC)CCC[C@H]12 ZINC001278451193 794675421 /nfs/dbraw/zinc/67/54/21/794675421.db2.gz HQOUSQKXXQYPIO-BLLLJJGKSA-N 1 0 335.408 -1.222 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CNC(=O)NC)CCC[C@H]12 ZINC001278451194 794675487 /nfs/dbraw/zinc/67/54/87/794675487.db2.gz HQOUSQKXXQYPIO-LRDDRELGSA-N 1 0 335.408 -1.222 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CNC(=O)NC)CCC[C@@H]12 ZINC001278451196 794675717 /nfs/dbraw/zinc/67/57/17/794675717.db2.gz HQOUSQKXXQYPIO-MLGOLLRUSA-N 1 0 335.408 -1.222 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CNC(=O)NC)CCC[C@@H]12 ZINC001278451197 794675671 /nfs/dbraw/zinc/67/56/71/794675671.db2.gz HQOUSQKXXQYPIO-WBMJQRKESA-N 1 0 335.408 -1.222 20 30 EAEDRO C[C@]1(C[NH2+]CC(=O)NCC#N)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001278462804 794676638 /nfs/dbraw/zinc/67/66/38/794676638.db2.gz JSMLHABCICLAHG-CYBMUJFWSA-N 1 0 330.410 -1.501 20 30 EAEDRO C[C@@]1(C[NH2+]CC(=O)NCC#N)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001278462805 794676108 /nfs/dbraw/zinc/67/61/08/794676108.db2.gz JSMLHABCICLAHG-ZDUSSCGKSA-N 1 0 330.410 -1.501 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001278474865 794678001 /nfs/dbraw/zinc/67/80/01/794678001.db2.gz RRMOPTLRLZAPQJ-FRRDWIJNSA-N 1 0 346.395 -1.470 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001278474867 794677965 /nfs/dbraw/zinc/67/79/65/794677965.db2.gz RRMOPTLRLZAPQJ-JHJVBQTASA-N 1 0 346.395 -1.470 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001278474869 794677351 /nfs/dbraw/zinc/67/73/51/794677351.db2.gz RRMOPTLRLZAPQJ-RWMBFGLXSA-N 1 0 346.395 -1.470 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001278474871 794677848 /nfs/dbraw/zinc/67/78/48/794677848.db2.gz RRMOPTLRLZAPQJ-YNEHKIRRSA-N 1 0 346.395 -1.470 20 30 EAEDRO CNC(=O)NCCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278491527 794678654 /nfs/dbraw/zinc/67/86/54/794678654.db2.gz QKGTWPCLQOKQCA-HNNXBMFYSA-N 1 0 338.412 -1.227 20 30 EAEDRO CNC(=O)NCCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278491528 794679009 /nfs/dbraw/zinc/67/90/09/794679009.db2.gz QKGTWPCLQOKQCA-OAHLLOKOSA-N 1 0 338.412 -1.227 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001278503403 794679916 /nfs/dbraw/zinc/67/99/16/794679916.db2.gz CTJKNDHYDSZMBJ-MEDUHNTESA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001278503404 794679200 /nfs/dbraw/zinc/67/92/00/794679200.db2.gz CTJKNDHYDSZMBJ-ZBEGNZNMSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CNC(=O)NC)C1 ZINC001278505119 794679890 /nfs/dbraw/zinc/67/98/90/794679890.db2.gz PYRJTLNXKDGOMG-BLLLJJGKSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CNC(=O)NC)C1 ZINC001278505120 794679486 /nfs/dbraw/zinc/67/94/86/794679486.db2.gz PYRJTLNXKDGOMG-LRDDRELGSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CNC(=O)NC)C1 ZINC001278505121 794679396 /nfs/dbraw/zinc/67/93/96/794679396.db2.gz PYRJTLNXKDGOMG-MLGOLLRUSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CNC(=O)NC)C1 ZINC001278505122 794679971 /nfs/dbraw/zinc/67/99/71/794679971.db2.gz PYRJTLNXKDGOMG-WBMJQRKESA-N 1 0 337.424 -1.119 20 30 EAEDRO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001278522953 794679491 /nfs/dbraw/zinc/67/94/91/794679491.db2.gz AQTAVFFIAHGJMY-SWLSCSKDSA-N 1 0 341.433 -1.249 20 30 EAEDRO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001278522954 794679876 /nfs/dbraw/zinc/67/98/76/794679876.db2.gz AQTAVFFIAHGJMY-WFASDCNBSA-N 1 0 341.433 -1.249 20 30 EAEDRO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001278557264 794681026 /nfs/dbraw/zinc/68/10/26/794681026.db2.gz BOPCMYFOFSTETF-GXTWGEPZSA-N 1 0 335.408 -1.021 20 30 EAEDRO CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001278557265 794680296 /nfs/dbraw/zinc/68/02/96/794680296.db2.gz BOPCMYFOFSTETF-JSGCOSHPSA-N 1 0 335.408 -1.021 20 30 EAEDRO CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001278557266 794681035 /nfs/dbraw/zinc/68/10/35/794681035.db2.gz BOPCMYFOFSTETF-OCCSQVGLSA-N 1 0 335.408 -1.021 20 30 EAEDRO CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001278557267 794681058 /nfs/dbraw/zinc/68/10/58/794681058.db2.gz BOPCMYFOFSTETF-TZMCWYRMSA-N 1 0 335.408 -1.021 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572895 794680977 /nfs/dbraw/zinc/68/09/77/794680977.db2.gz UGXDYCRUSHLPNU-NXEZZACHSA-N 1 0 345.350 -1.118 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572896 794680516 /nfs/dbraw/zinc/68/05/16/794680516.db2.gz UGXDYCRUSHLPNU-UWVGGRQHSA-N 1 0 345.350 -1.118 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572897 794680465 /nfs/dbraw/zinc/68/04/65/794680465.db2.gz UGXDYCRUSHLPNU-VHSXEESVSA-N 1 0 345.350 -1.118 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001278572898 794680594 /nfs/dbraw/zinc/68/05/94/794680594.db2.gz UGXDYCRUSHLPNU-ZJUUUORDSA-N 1 0 345.350 -1.118 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001278581848 794680760 /nfs/dbraw/zinc/68/07/60/794680760.db2.gz ADINOZVRASEZAT-AWEZNQCLSA-N 1 0 346.453 -1.334 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001278581849 794680457 /nfs/dbraw/zinc/68/04/57/794680457.db2.gz ADINOZVRASEZAT-CQSZACIVSA-N 1 0 346.453 -1.334 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278588906 794680224 /nfs/dbraw/zinc/68/02/24/794680224.db2.gz LDDRNOABFJHJIB-PXAZEXFGSA-N 1 0 348.403 -1.383 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278588907 794680776 /nfs/dbraw/zinc/68/07/76/794680776.db2.gz LDDRNOABFJHJIB-SJCJKPOMSA-N 1 0 348.403 -1.383 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278588908 794680725 /nfs/dbraw/zinc/68/07/25/794680725.db2.gz LDDRNOABFJHJIB-SJKOYZFVSA-N 1 0 348.403 -1.383 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278588909 794681006 /nfs/dbraw/zinc/68/10/06/794681006.db2.gz LDDRNOABFJHJIB-YVEFUNNKSA-N 1 0 348.403 -1.383 20 30 EAEDRO CC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC[NH+](CC(=O)NCC#N)CC1 ZINC001278626364 794682188 /nfs/dbraw/zinc/68/21/88/794682188.db2.gz APXPXZQZIKIXFN-NEPJUHHUSA-N 1 0 335.408 -1.034 20 30 EAEDRO CN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278631778 794683465 /nfs/dbraw/zinc/68/34/65/794683465.db2.gz ZZAQDIIDSMIAJN-CHWSQXEVSA-N 1 0 337.424 -1.217 20 30 EAEDRO CN1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278631779 794683689 /nfs/dbraw/zinc/68/36/89/794683689.db2.gz ZZAQDIIDSMIAJN-OLZOCXBDSA-N 1 0 337.424 -1.217 20 30 EAEDRO CN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278631780 794683225 /nfs/dbraw/zinc/68/32/25/794683225.db2.gz ZZAQDIIDSMIAJN-QWHCGFSZSA-N 1 0 337.424 -1.217 20 30 EAEDRO CN1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278631781 794682943 /nfs/dbraw/zinc/68/29/43/794682943.db2.gz ZZAQDIIDSMIAJN-STQMWFEESA-N 1 0 337.424 -1.217 20 30 EAEDRO CC1(CNC(=O)CCn2cnnn2)CC[NH+](CC(=O)NCC#N)CC1 ZINC001278632214 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C#CC[NH2+]C1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CCOCC1 ZINC001278710583 794692689 /nfs/dbraw/zinc/69/26/89/794692689.db2.gz BCQVDJKEWLHFPY-UHFFFAOYSA-N 1 0 334.376 -1.565 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]c(=O)c2)CCOCC1 ZINC001278711688 794693628 /nfs/dbraw/zinc/69/36/28/794693628.db2.gz YUESWYLPFIIIJO-UHFFFAOYSA-N 1 0 347.375 -1.200 20 30 EAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)c2nnn(C)n2)CCOCC1 ZINC001278718295 794693066 /nfs/dbraw/zinc/69/30/66/794693066.db2.gz LMDASQSCYRTVBG-UHFFFAOYSA-N 1 0 337.384 -1.619 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2c[nH]c(=O)n2C)CCOCC1 ZINC001278718805 794693422 /nfs/dbraw/zinc/69/34/22/794693422.db2.gz TWDXYCZOYDHREH-UHFFFAOYSA-N 1 0 349.391 -1.256 20 30 EAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]cn2)CCOCC1 ZINC001278722508 794694622 /nfs/dbraw/zinc/69/46/22/794694622.db2.gz GGSLKCBUVKOENZ-UHFFFAOYSA-N 1 0 334.380 -1.153 20 30 EAEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001278722562 794694083 /nfs/dbraw/zinc/69/40/83/794694083.db2.gz IPJZYUZSRKVPLE-UHFFFAOYSA-N 1 0 338.408 -1.073 20 30 EAEDRO CC#CC[NH2+]C1(CNC(=O)CNS(=O)(=O)N(C)C)CCOCC1 ZINC001278726060 794694510 /nfs/dbraw/zinc/69/45/10/794694510.db2.gz DGDQGSIHGNLYNM-UHFFFAOYSA-N 1 0 346.453 -1.339 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CCOCC1 ZINC001278726565 794694548 /nfs/dbraw/zinc/69/45/48/794694548.db2.gz XFCRWXLCPNZJHA-UHFFFAOYSA-N 1 0 333.392 -1.043 20 30 EAEDRO C#CC[NH2+]C1(CNC(=O)Cn2ncn3nccc3c2=O)CCOCC1 ZINC001278726611 794694759 /nfs/dbraw/zinc/69/47/59/794694759.db2.gz YWAONNJOHOSAKO-UHFFFAOYSA-N 1 0 344.375 -1.221 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001278730496 794696360 /nfs/dbraw/zinc/69/63/60/794696360.db2.gz DSKIXFZIROTRPO-CHWSQXEVSA-N 1 0 338.408 -1.844 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001278730497 794696621 /nfs/dbraw/zinc/69/66/21/794696621.db2.gz DSKIXFZIROTRPO-OLZOCXBDSA-N 1 0 338.408 -1.844 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001278730498 794696134 /nfs/dbraw/zinc/69/61/34/794696134.db2.gz DSKIXFZIROTRPO-QWHCGFSZSA-N 1 0 338.408 -1.844 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001278730499 794696424 /nfs/dbraw/zinc/69/64/24/794696424.db2.gz DSKIXFZIROTRPO-STQMWFEESA-N 1 0 338.408 -1.844 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)OC)C1=O ZINC001278732858 794695140 /nfs/dbraw/zinc/69/51/40/794695140.db2.gz YTZQRZXCIXCORO-NEPJUHHUSA-N 1 0 342.396 -1.462 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)OC)C1=O ZINC001278732859 794695177 /nfs/dbraw/zinc/69/51/77/794695177.db2.gz YTZQRZXCIXCORO-NWDGAFQWSA-N 1 0 342.396 -1.462 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)OC)C1=O ZINC001278732860 794695665 /nfs/dbraw/zinc/69/56/65/794695665.db2.gz YTZQRZXCIXCORO-RYUDHWBXSA-N 1 0 342.396 -1.462 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)OC)C1=O ZINC001278732861 794695819 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20 30 EAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001278737517 794695827 /nfs/dbraw/zinc/69/58/27/794695827.db2.gz PHLCKVAXMFJSSY-GHMZBOCLSA-N 1 0 339.396 -1.115 20 30 EAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001278737518 794695985 /nfs/dbraw/zinc/69/59/85/794695985.db2.gz PHLCKVAXMFJSSY-MNOVXSKESA-N 1 0 339.396 -1.115 20 30 EAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001278737519 794695756 /nfs/dbraw/zinc/69/57/56/794695756.db2.gz PHLCKVAXMFJSSY-QWRGUYRKSA-N 1 0 339.396 -1.115 20 30 EAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001278737520 794696539 /nfs/dbraw/zinc/69/65/39/794696539.db2.gz PHLCKVAXMFJSSY-WDEREUQCSA-N 1 0 339.396 -1.115 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001278737831 794696512 /nfs/dbraw/zinc/69/65/12/794696512.db2.gz VGDVNIYMINYIBO-KBPBESRZSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001278737832 794696492 /nfs/dbraw/zinc/69/64/92/794696492.db2.gz VGDVNIYMINYIBO-KGLIPLIRSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001278737833 794695679 /nfs/dbraw/zinc/69/56/79/794695679.db2.gz VGDVNIYMINYIBO-UONOGXRCSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001278737834 794696603 /nfs/dbraw/zinc/69/66/03/794696603.db2.gz VGDVNIYMINYIBO-ZIAGYGMSSA-N 1 0 335.408 -1.262 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2nccnc2N)C1=O ZINC001278737945 794696183 /nfs/dbraw/zinc/69/61/83/794696183.db2.gz XGCPJFJVXFXJIC-NEPJUHHUSA-N 1 0 348.407 -1.132 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2nccnc2N)C1=O ZINC001278737946 794696212 /nfs/dbraw/zinc/69/62/12/794696212.db2.gz XGCPJFJVXFXJIC-NWDGAFQWSA-N 1 0 348.407 -1.132 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2nccnc2N)C1=O ZINC001278737947 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PKKWUTXOBZTAOO-VXGBXAGGSA-N 1 0 336.396 -1.542 20 30 EAEDRO CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001278751285 794699110 /nfs/dbraw/zinc/69/91/10/794699110.db2.gz YVQKWXPNZRMMAT-NEPJUHHUSA-N 1 0 333.348 -1.286 20 30 EAEDRO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001278751286 794699331 /nfs/dbraw/zinc/69/93/31/794699331.db2.gz YVQKWXPNZRMMAT-NWDGAFQWSA-N 1 0 333.348 -1.286 20 30 EAEDRO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001278751287 794699570 /nfs/dbraw/zinc/69/95/70/794699570.db2.gz YVQKWXPNZRMMAT-RYUDHWBXSA-N 1 0 333.348 -1.286 20 30 EAEDRO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001278751288 794699463 /nfs/dbraw/zinc/69/94/63/794699463.db2.gz YVQKWXPNZRMMAT-VXGBXAGGSA-N 1 0 333.348 -1.286 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)CNC(C)=O)C2)C1=O ZINC001278752760 794698576 /nfs/dbraw/zinc/69/85/76/794698576.db2.gz MMSRXFKSLQPDHD-BBRMVZONSA-N 1 0 338.408 -1.538 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)CNC(C)=O)C2)C1=O ZINC001278752761 794699169 /nfs/dbraw/zinc/69/91/69/794699169.db2.gz MMSRXFKSLQPDHD-CJNGLKHVSA-N 1 0 338.408 -1.538 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)CNC(C)=O)C2)C1=O ZINC001278752762 794699229 /nfs/dbraw/zinc/69/92/29/794699229.db2.gz MMSRXFKSLQPDHD-CZUORRHYSA-N 1 0 338.408 -1.538 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)CNC(C)=O)C2)C1=O ZINC001278752763 794699577 /nfs/dbraw/zinc/69/95/77/794699577.db2.gz MMSRXFKSLQPDHD-XJKSGUPXSA-N 1 0 338.408 -1.538 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001278754758 794699546 /nfs/dbraw/zinc/69/95/46/794699546.db2.gz AVJVTCXDMVRFSW-CMPLNLGQSA-N 1 0 336.396 -1.798 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001278754759 794699642 /nfs/dbraw/zinc/69/96/42/794699642.db2.gz AVJVTCXDMVRFSW-JQWIXIFHSA-N 1 0 336.396 -1.798 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001278754760 794699609 /nfs/dbraw/zinc/69/96/09/794699609.db2.gz AVJVTCXDMVRFSW-PWSUYJOCSA-N 1 0 336.396 -1.798 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001278754761 794698683 /nfs/dbraw/zinc/69/86/83/794698683.db2.gz AVJVTCXDMVRFSW-ZYHUDNBSSA-N 1 0 336.396 -1.798 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn2c(n1)CCC2 ZINC001278756001 794698565 /nfs/dbraw/zinc/69/85/65/794698565.db2.gz KMPXUTDRDGIXDK-LLVKDONJSA-N 1 0 334.380 -1.508 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn2c(n1)CCC2 ZINC001278756004 794699420 /nfs/dbraw/zinc/69/94/20/794699420.db2.gz KMPXUTDRDGIXDK-NSHDSACASA-N 1 0 334.380 -1.508 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OC)ncn1 ZINC001278756255 794699538 /nfs/dbraw/zinc/69/95/38/794699538.db2.gz MQQVGQXZFSNXFQ-NEPJUHHUSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(OC)ncn1 ZINC001278756256 794699673 /nfs/dbraw/zinc/69/96/73/794699673.db2.gz MQQVGQXZFSNXFQ-NWDGAFQWSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OC)ncn1 ZINC001278756257 794698883 /nfs/dbraw/zinc/69/88/83/794698883.db2.gz MQQVGQXZFSNXFQ-RYUDHWBXSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(OC)ncn1 ZINC001278756258 794698716 /nfs/dbraw/zinc/69/87/16/794698716.db2.gz MQQVGQXZFSNXFQ-VXGBXAGGSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OC)ns1 ZINC001278756261 794698898 /nfs/dbraw/zinc/69/88/98/794698898.db2.gz MVQQPCMGSXPMGV-JTQLQIEISA-N 1 0 340.405 -1.076 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(OC)ns1 ZINC001278756262 794699180 /nfs/dbraw/zinc/69/91/80/794699180.db2.gz MVQQPCMGSXPMGV-SNVBAGLBSA-N 1 0 340.405 -1.076 20 30 EAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001278756319 794699101 /nfs/dbraw/zinc/69/91/01/794699101.db2.gz OCHJQRMYVLMZCT-GFCCVEGCSA-N 1 0 334.442 -1.843 20 30 EAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001278756320 794698790 /nfs/dbraw/zinc/69/87/90/794698790.db2.gz OCHJQRMYVLMZCT-LBPRGKRZSA-N 1 0 334.442 -1.843 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001278756992 794699659 /nfs/dbraw/zinc/69/96/59/794699659.db2.gz XSCIBMBYFFXKKF-KBPBESRZSA-N 1 0 341.408 -1.708 20 30 EAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001278756993 794698731 /nfs/dbraw/zinc/69/87/31/794698731.db2.gz XSCIBMBYFFXKKF-KGLIPLIRSA-N 1 0 341.408 -1.708 20 30 EAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001278756995 794699485 /nfs/dbraw/zinc/69/94/85/794699485.db2.gz XSCIBMBYFFXKKF-UONOGXRCSA-N 1 0 341.408 -1.708 20 30 EAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001278756996 794698837 /nfs/dbraw/zinc/69/88/37/794698837.db2.gz XSCIBMBYFFXKKF-ZIAGYGMSSA-N 1 0 341.408 -1.708 20 30 EAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001278761868 794704832 /nfs/dbraw/zinc/70/48/32/794704832.db2.gz KBNXPLOUGHWJMO-KBPBESRZSA-N 1 0 325.409 -1.087 20 30 EAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001278761869 794705142 /nfs/dbraw/zinc/70/51/42/794705142.db2.gz KBNXPLOUGHWJMO-KGLIPLIRSA-N 1 0 325.409 -1.087 20 30 EAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001278761870 794699913 /nfs/dbraw/zinc/69/99/13/794699913.db2.gz KBNXPLOUGHWJMO-UONOGXRCSA-N 1 0 325.409 -1.087 20 30 EAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001278761873 794699970 /nfs/dbraw/zinc/69/99/70/794699970.db2.gz KBNXPLOUGHWJMO-ZIAGYGMSSA-N 1 0 325.409 -1.087 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278762003 794700584 /nfs/dbraw/zinc/70/05/84/794700584.db2.gz KSKXVHRKAKWUBM-CMPLNLGQSA-N 1 0 347.437 -1.869 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278762004 794700656 /nfs/dbraw/zinc/70/06/56/794700656.db2.gz KSKXVHRKAKWUBM-JQWIXIFHSA-N 1 0 347.437 -1.869 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278762005 794700304 /nfs/dbraw/zinc/70/03/04/794700304.db2.gz KSKXVHRKAKWUBM-PWSUYJOCSA-N 1 0 347.437 -1.869 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278762006 794701929 /nfs/dbraw/zinc/70/19/29/794701929.db2.gz KSKXVHRKAKWUBM-ZYHUDNBSSA-N 1 0 347.437 -1.869 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001278762151 794701735 /nfs/dbraw/zinc/70/17/35/794701735.db2.gz NJOUEBMDXVLTQZ-NEPJUHHUSA-N 1 0 326.397 -1.824 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001278762152 794701810 /nfs/dbraw/zinc/70/18/10/794701810.db2.gz NJOUEBMDXVLTQZ-NWDGAFQWSA-N 1 0 326.397 -1.824 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001278762153 794701881 /nfs/dbraw/zinc/70/18/81/794701881.db2.gz NJOUEBMDXVLTQZ-RYUDHWBXSA-N 1 0 326.397 -1.824 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001278762154 794701855 /nfs/dbraw/zinc/70/18/55/794701855.db2.gz NJOUEBMDXVLTQZ-VXGBXAGGSA-N 1 0 326.397 -1.824 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)c1ccncc1 ZINC001278762485 794705104 /nfs/dbraw/zinc/70/51/04/794705104.db2.gz VERPIHRJNGQHMZ-HNNXBMFYSA-N 1 0 348.403 -1.130 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)c1ccncc1 ZINC001278762486 794704727 /nfs/dbraw/zinc/70/47/27/794704727.db2.gz VERPIHRJNGQHMZ-OAHLLOKOSA-N 1 0 348.403 -1.130 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn2ncccc12 ZINC001278767263 794706154 /nfs/dbraw/zinc/70/61/54/794706154.db2.gz FUVVZVFPOFIDDB-GFCCVEGCSA-N 1 0 344.375 -1.499 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn2ncccc12 ZINC001278767266 794706079 /nfs/dbraw/zinc/70/60/79/794706079.db2.gz FUVVZVFPOFIDDB-LBPRGKRZSA-N 1 0 344.375 -1.499 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001278767572 794705886 /nfs/dbraw/zinc/70/58/86/794705886.db2.gz JFJDPCQKYRIVJQ-CMPLNLGQSA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001278767574 794705930 /nfs/dbraw/zinc/70/59/30/794705930.db2.gz JFJDPCQKYRIVJQ-JQWIXIFHSA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001278767577 794705842 /nfs/dbraw/zinc/70/58/42/794705842.db2.gz JFJDPCQKYRIVJQ-PWSUYJOCSA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001278767579 794706557 /nfs/dbraw/zinc/70/65/57/794706557.db2.gz JFJDPCQKYRIVJQ-ZYHUDNBSSA-N 1 0 335.364 -1.657 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccnc2ccnn21 ZINC001278767921 794706502 /nfs/dbraw/zinc/70/65/02/794706502.db2.gz MGUXFHUNLKICQU-LLVKDONJSA-N 1 0 345.363 -1.608 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccnc2ccnn21 ZINC001278767923 794706481 /nfs/dbraw/zinc/70/64/81/794706481.db2.gz MGUXFHUNLKICQU-NSHDSACASA-N 1 0 345.363 -1.608 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001278768106 794706122 /nfs/dbraw/zinc/70/61/22/794706122.db2.gz OESOGYSJKONBNP-CHWSQXEVSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001278768109 794706425 /nfs/dbraw/zinc/70/64/25/794706425.db2.gz OESOGYSJKONBNP-OLZOCXBDSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001278768110 794705943 /nfs/dbraw/zinc/70/59/43/794705943.db2.gz OESOGYSJKONBNP-QWHCGFSZSA-N 1 0 338.408 -1.939 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001278768111 794705641 /nfs/dbraw/zinc/70/56/41/794705641.db2.gz OESOGYSJKONBNP-STQMWFEESA-N 1 0 338.408 -1.939 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001278768206 794706812 /nfs/dbraw/zinc/70/68/12/794706812.db2.gz QMWDIIBXWLJQDZ-MNOVXSKESA-N 1 0 326.353 -2.357 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001278768207 794705834 /nfs/dbraw/zinc/70/58/34/794705834.db2.gz QMWDIIBXWLJQDZ-QWRGUYRKSA-N 1 0 326.353 -2.357 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001278768454 794707474 /nfs/dbraw/zinc/70/74/74/794707474.db2.gz WZOGNILBNSNSSZ-JTQLQIEISA-N 1 0 347.379 -1.322 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001278768455 794707311 /nfs/dbraw/zinc/70/73/11/794707311.db2.gz WZOGNILBNSNSSZ-SNVBAGLBSA-N 1 0 347.379 -1.322 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001278771476 794707057 /nfs/dbraw/zinc/70/70/57/794707057.db2.gz PDWXRDSIZPVAFM-GDBMZVCRSA-N 1 0 325.409 -1.480 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001278771477 794707963 /nfs/dbraw/zinc/70/79/63/794707963.db2.gz PDWXRDSIZPVAFM-GOEBONIOSA-N 1 0 325.409 -1.480 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001278771478 794707798 /nfs/dbraw/zinc/70/77/98/794707798.db2.gz PDWXRDSIZPVAFM-HOCLYGCPSA-N 1 0 325.409 -1.480 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001278771479 794707712 /nfs/dbraw/zinc/70/77/12/794707712.db2.gz PDWXRDSIZPVAFM-ZBFHGGJFSA-N 1 0 325.409 -1.480 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001278773399 794707323 /nfs/dbraw/zinc/70/73/23/794707323.db2.gz CVDLKOQAHGSDJP-GHMZBOCLSA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001278773400 794708092 /nfs/dbraw/zinc/70/80/92/794708092.db2.gz CVDLKOQAHGSDJP-MNOVXSKESA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001278773401 794707196 /nfs/dbraw/zinc/70/71/96/794707196.db2.gz CVDLKOQAHGSDJP-QWRGUYRKSA-N 1 0 335.364 -1.657 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001278773402 794708162 /nfs/dbraw/zinc/70/81/62/794708162.db2.gz CVDLKOQAHGSDJP-WDEREUQCSA-N 1 0 335.364 -1.657 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001278773947 794707248 /nfs/dbraw/zinc/70/72/48/794707248.db2.gz NUTRWOOYILFADA-BLLLJJGKSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001278773948 794707437 /nfs/dbraw/zinc/70/74/37/794707437.db2.gz NUTRWOOYILFADA-LRDDRELGSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001278773949 794708083 /nfs/dbraw/zinc/70/80/83/794708083.db2.gz NUTRWOOYILFADA-MLGOLLRUSA-N 1 0 340.424 -1.386 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001278773950 794707744 /nfs/dbraw/zinc/70/77/44/794707744.db2.gz NUTRWOOYILFADA-WBMJQRKESA-N 1 0 340.424 -1.386 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C)c1Cl ZINC001278773983 794707862 /nfs/dbraw/zinc/70/78/62/794707862.db2.gz OLQQQVUWCQCBCS-SECBINFHSA-N 1 0 342.787 -1.264 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C)c1Cl ZINC001278773984 794708232 /nfs/dbraw/zinc/70/82/32/794708232.db2.gz OLQQQVUWCQCBCS-VIFPVBQESA-N 1 0 342.787 -1.264 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001278774055 794707756 /nfs/dbraw/zinc/70/77/56/794707756.db2.gz QESHJBKKRSUAGU-DZGCQCFKSA-N 1 0 347.419 -1.396 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001278774056 794707420 /nfs/dbraw/zinc/70/74/20/794707420.db2.gz QESHJBKKRSUAGU-HIFRSBDPSA-N 1 0 347.419 -1.396 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001278774057 794708315 /nfs/dbraw/zinc/70/83/15/794708315.db2.gz QESHJBKKRSUAGU-UKRRQHHQSA-N 1 0 347.419 -1.396 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001278774058 794707686 /nfs/dbraw/zinc/70/76/86/794707686.db2.gz QESHJBKKRSUAGU-ZFWWWQNUSA-N 1 0 347.419 -1.396 20 30 EAEDRO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001278776267 794708598 /nfs/dbraw/zinc/70/85/98/794708598.db2.gz HHKDQKMBDLWMLV-AWEZNQCLSA-N 1 0 347.437 -1.872 20 30 EAEDRO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001278776268 794709917 /nfs/dbraw/zinc/70/99/17/794709917.db2.gz HHKDQKMBDLWMLV-CQSZACIVSA-N 1 0 347.437 -1.872 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001278778661 794709938 /nfs/dbraw/zinc/70/99/38/794709938.db2.gz AYJKKXYUAADPMD-GFCCVEGCSA-N 1 0 339.396 -2.440 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001278778662 794708698 /nfs/dbraw/zinc/70/86/98/794708698.db2.gz AYJKKXYUAADPMD-LBPRGKRZSA-N 1 0 339.396 -2.440 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn2cccnc2n1 ZINC001278779408 794711153 /nfs/dbraw/zinc/71/11/53/794711153.db2.gz KHSOFELVIMIHDM-LLVKDONJSA-N 1 0 345.363 -1.608 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn2cccnc2n1 ZINC001278779409 794710686 /nfs/dbraw/zinc/71/06/86/794710686.db2.gz KHSOFELVIMIHDM-NSHDSACASA-N 1 0 345.363 -1.608 20 30 EAEDRO Cc1cc(C)n(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)n1 ZINC001278779680 794710464 /nfs/dbraw/zinc/71/04/64/794710464.db2.gz OHHDZDWNRNMGTD-CYBMUJFWSA-N 1 0 336.396 -1.451 20 30 EAEDRO Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)n1 ZINC001278779681 794711186 /nfs/dbraw/zinc/71/11/86/794711186.db2.gz OHHDZDWNRNMGTD-ZDUSSCGKSA-N 1 0 336.396 -1.451 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ncc(OC)cn1 ZINC001278779841 794710775 /nfs/dbraw/zinc/71/07/75/794710775.db2.gz QJMFKKJMVNFLDS-LLVKDONJSA-N 1 0 335.364 -1.743 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ncc(OC)cn1 ZINC001278779842 794710422 /nfs/dbraw/zinc/71/04/22/794710422.db2.gz QJMFKKJMVNFLDS-NSHDSACASA-N 1 0 335.364 -1.743 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1nc(C)cc1C ZINC001278780047 794710583 /nfs/dbraw/zinc/71/05/83/794710583.db2.gz VPQGIZSGXABHBB-AWEZNQCLSA-N 1 0 335.408 -1.342 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1nc(C)cc1C ZINC001278780048 794710771 /nfs/dbraw/zinc/71/07/71/794710771.db2.gz VPQGIZSGXABHBB-CQSZACIVSA-N 1 0 335.408 -1.342 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001278782293 794711138 /nfs/dbraw/zinc/71/11/38/794711138.db2.gz VQKWQMYUNGEMRX-ABAIWWIYSA-N 1 0 341.412 -1.841 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001278782294 794710262 /nfs/dbraw/zinc/71/02/62/794710262.db2.gz VQKWQMYUNGEMRX-IAQYHMDHSA-N 1 0 341.412 -1.841 20 30 EAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001278782295 794710225 /nfs/dbraw/zinc/71/02/25/794710225.db2.gz VQKWQMYUNGEMRX-NHYWBVRUSA-N 1 0 341.412 -1.841 20 30 EAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001278782296 794710856 /nfs/dbraw/zinc/71/08/56/794710856.db2.gz VQKWQMYUNGEMRX-XHDPSFHLSA-N 1 0 341.412 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)nn(C)c1C ZINC001278785313 794710616 /nfs/dbraw/zinc/71/06/16/794710616.db2.gz DJMGPPNQMCCEGF-CYBMUJFWSA-N 1 0 335.408 -1.191 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)nn(C)c1C ZINC001278785315 794710901 /nfs/dbraw/zinc/71/09/01/794710901.db2.gz DJMGPPNQMCCEGF-ZDUSSCGKSA-N 1 0 335.408 -1.191 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c(C)nn(C)c1C ZINC001278786098 794710342 /nfs/dbraw/zinc/71/03/42/794710342.db2.gz LOKVNIDYPCGXQT-AWEZNQCLSA-N 1 0 349.435 -1.262 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c(C)nn(C)c1C ZINC001278786099 794710277 /nfs/dbraw/zinc/71/02/77/794710277.db2.gz LOKVNIDYPCGXQT-CQSZACIVSA-N 1 0 349.435 -1.262 20 30 EAEDRO C#CCNC(=O)CN1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789691 794712309 /nfs/dbraw/zinc/71/23/09/794712309.db2.gz BKJYKOCSMVXNSE-KRWDZBQOSA-N 1 0 348.447 -1.083 20 30 EAEDRO C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789692 794712247 /nfs/dbraw/zinc/71/22/47/794712247.db2.gz BKJYKOCSMVXNSE-QGZVFWFLSA-N 1 0 348.447 -1.083 20 30 EAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001278790867 794711933 /nfs/dbraw/zinc/71/19/33/794711933.db2.gz LOCNBBJVZADAIZ-INIZCTEOSA-N 1 0 334.376 -1.311 20 30 EAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001278790875 794712465 /nfs/dbraw/zinc/71/24/65/794712465.db2.gz LOCNBBJVZADAIZ-MRXNPFEDSA-N 1 0 334.376 -1.311 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)c(C)n[nH]c1=O ZINC001278791562 794713429 /nfs/dbraw/zinc/71/34/29/794713429.db2.gz NVNPJMFHYRFMDI-GFCCVEGCSA-N 1 0 349.391 -1.429 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)c(C)n[nH]c1=O ZINC001278791563 794714083 /nfs/dbraw/zinc/71/40/83/794714083.db2.gz NVNPJMFHYRFMDI-LBPRGKRZSA-N 1 0 349.391 -1.429 20 30 EAEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278796914 794716012 /nfs/dbraw/zinc/71/60/12/794716012.db2.gz GSLCMOWLPAIVQP-NEPJUHHUSA-N 1 0 328.413 -1.306 20 30 EAEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278796915 794715345 /nfs/dbraw/zinc/71/53/45/794715345.db2.gz GSLCMOWLPAIVQP-NWDGAFQWSA-N 1 0 328.413 -1.306 20 30 EAEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278796916 794715276 /nfs/dbraw/zinc/71/52/76/794715276.db2.gz GSLCMOWLPAIVQP-RYUDHWBXSA-N 1 0 328.413 -1.306 20 30 EAEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278796917 794715008 /nfs/dbraw/zinc/71/50/08/794715008.db2.gz GSLCMOWLPAIVQP-VXGBXAGGSA-N 1 0 328.413 -1.306 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCN(C)C1=O ZINC001278798680 794715129 /nfs/dbraw/zinc/71/51/29/794715129.db2.gz RYBAKWPWNYHTSB-GHMZBOCLSA-N 1 0 325.369 -2.487 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCN(C)C1=O ZINC001278798681 794714925 /nfs/dbraw/zinc/71/49/25/794714925.db2.gz RYBAKWPWNYHTSB-MNOVXSKESA-N 1 0 325.369 -2.487 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCN(C)C1=O ZINC001278798682 794715893 /nfs/dbraw/zinc/71/58/93/794715893.db2.gz RYBAKWPWNYHTSB-QWRGUYRKSA-N 1 0 325.369 -2.487 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCN(C)C1=O ZINC001278798683 794715800 /nfs/dbraw/zinc/71/58/00/794715800.db2.gz RYBAKWPWNYHTSB-WDEREUQCSA-N 1 0 325.369 -2.487 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2nonc2c1 ZINC001278798690 794715529 /nfs/dbraw/zinc/71/55/29/794715529.db2.gz SDEONGLSFQAZME-GFCCVEGCSA-N 1 0 345.359 -1.005 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2nonc2c1 ZINC001278798691 794715966 /nfs/dbraw/zinc/71/59/66/794715966.db2.gz SDEONGLSFQAZME-LBPRGKRZSA-N 1 0 345.359 -1.005 20 30 EAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001278809025 794717064 /nfs/dbraw/zinc/71/70/64/794717064.db2.gz CJHOIMGRDPTJIE-SECBINFHSA-N 1 0 346.771 -1.432 20 30 EAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001278809026 794717465 /nfs/dbraw/zinc/71/74/65/794717465.db2.gz CJHOIMGRDPTJIE-VIFPVBQESA-N 1 0 346.771 -1.432 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278809103 794717079 /nfs/dbraw/zinc/71/70/79/794717079.db2.gz ACSBONDDZOGHBQ-INIZCTEOSA-N 1 0 339.392 -1.205 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278809104 794717124 /nfs/dbraw/zinc/71/71/24/794717124.db2.gz ACSBONDDZOGHBQ-MRXNPFEDSA-N 1 0 339.392 -1.205 20 30 EAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001278809175 794717299 /nfs/dbraw/zinc/71/72/99/794717299.db2.gz BHBKURKNXVHIOJ-INIZCTEOSA-N 1 0 334.376 -1.497 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001278809176 794716184 /nfs/dbraw/zinc/71/61/84/794716184.db2.gz BHBKURKNXVHIOJ-MRXNPFEDSA-N 1 0 334.376 -1.497 20 30 EAEDRO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](O)COC)C2)nn1 ZINC001278810397 794718553 /nfs/dbraw/zinc/71/85/53/794718553.db2.gz MFCHETFEAKPBST-SWLSCSKDSA-N 1 0 339.396 -1.362 20 30 EAEDRO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](O)COC)C2)nn1 ZINC001278810401 794718378 /nfs/dbraw/zinc/71/83/78/794718378.db2.gz MFCHETFEAKPBST-WFASDCNBSA-N 1 0 339.396 -1.362 20 30 EAEDRO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278811424 794718412 /nfs/dbraw/zinc/71/84/12/794718412.db2.gz ULTYMDWHOSENHK-CYBMUJFWSA-N 1 0 334.442 -1.489 20 30 EAEDRO C=CCC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278811430 794719204 /nfs/dbraw/zinc/71/92/04/794719204.db2.gz ULTYMDWHOSENHK-ZDUSSCGKSA-N 1 0 334.442 -1.489 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001278812192 794718926 /nfs/dbraw/zinc/71/89/26/794718926.db2.gz ZCLZMMJDXFCBJN-LLVKDONJSA-N 1 0 347.437 -2.032 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001278812193 794719252 /nfs/dbraw/zinc/71/92/52/794719252.db2.gz ZCLZMMJDXFCBJN-NSHDSACASA-N 1 0 347.437 -2.032 20 30 EAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815829 794718820 /nfs/dbraw/zinc/71/88/20/794718820.db2.gz KDXVRDKTSLJSCX-DOMZBBRYSA-N 1 0 349.395 -2.246 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815830 794718646 /nfs/dbraw/zinc/71/86/46/794718646.db2.gz KDXVRDKTSLJSCX-IUODEOHRSA-N 1 0 349.395 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794719267 /nfs/dbraw/zinc/71/92/67/794719267.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 1 0 325.413 -1.479 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001278820476 794720141 /nfs/dbraw/zinc/72/01/41/794720141.db2.gz ADBGJHOZTRUTRK-INIZCTEOSA-N 1 0 349.391 -1.055 20 30 EAEDRO C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001278820477 794720361 /nfs/dbraw/zinc/72/03/61/794720361.db2.gz ADBGJHOZTRUTRK-MRXNPFEDSA-N 1 0 349.391 -1.055 20 30 EAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001278820814 794719572 /nfs/dbraw/zinc/71/95/72/794719572.db2.gz FTKSASPIDSRDFN-INIZCTEOSA-N 1 0 336.392 -1.105 20 30 EAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001278820815 794720559 /nfs/dbraw/zinc/72/05/59/794720559.db2.gz FTKSASPIDSRDFN-MRXNPFEDSA-N 1 0 336.392 -1.105 20 30 EAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001278821404 794720332 /nfs/dbraw/zinc/72/03/32/794720332.db2.gz JUMDZLLKWMWGND-AWEZNQCLSA-N 1 0 329.422 -2.097 20 30 EAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001278821406 794720708 /nfs/dbraw/zinc/72/07/08/794720708.db2.gz JUMDZLLKWMWGND-CQSZACIVSA-N 1 0 329.422 -2.097 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821438 794719696 /nfs/dbraw/zinc/71/96/96/794719696.db2.gz KNVLNSYQZOMTFH-HNNXBMFYSA-N 1 0 338.364 -2.259 20 30 EAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278821439 794719595 /nfs/dbraw/zinc/71/95/95/794719595.db2.gz KNVLNSYQZOMTFH-OAHLLOKOSA-N 1 0 338.364 -2.259 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn2c1CCCC2 ZINC001278823827 794721506 /nfs/dbraw/zinc/72/15/06/794721506.db2.gz SHMSXIFYTNQJHN-CYBMUJFWSA-N 1 0 347.419 -1.009 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn2c1CCCC2 ZINC001278823828 794721428 /nfs/dbraw/zinc/72/14/28/794721428.db2.gz SHMSXIFYTNQJHN-ZDUSSCGKSA-N 1 0 347.419 -1.009 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001278824057 794721580 /nfs/dbraw/zinc/72/15/80/794721580.db2.gz XZSUKQXPDMSDEI-LLVKDONJSA-N 1 0 335.364 -1.743 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001278824058 794721483 /nfs/dbraw/zinc/72/14/83/794721483.db2.gz XZSUKQXPDMSDEI-NSHDSACASA-N 1 0 335.364 -1.743 20 30 EAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001278826965 794721492 /nfs/dbraw/zinc/72/14/92/794721492.db2.gz CHOGIVZRERVUKO-INIZCTEOSA-N 1 0 348.407 -1.444 20 30 EAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001278826967 794722048 /nfs/dbraw/zinc/72/20/48/794722048.db2.gz CHOGIVZRERVUKO-MRXNPFEDSA-N 1 0 348.407 -1.444 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001278828104 794722161 /nfs/dbraw/zinc/72/21/61/794722161.db2.gz LALLMKZORVQABH-HNNXBMFYSA-N 1 0 328.413 -1.205 20 30 EAEDRO C=CCNC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001278828114 794721330 /nfs/dbraw/zinc/72/13/30/794721330.db2.gz LALLMKZORVQABH-OAHLLOKOSA-N 1 0 328.413 -1.205 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001278828644 794722151 /nfs/dbraw/zinc/72/21/51/794722151.db2.gz ZYJPZWJLMSUDRT-GFCCVEGCSA-N 1 0 347.419 -1.319 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001278828647 794721869 /nfs/dbraw/zinc/72/18/69/794721869.db2.gz ZYJPZWJLMSUDRT-LBPRGKRZSA-N 1 0 347.419 -1.319 20 30 EAEDRO C=CCCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278828731 794721215 /nfs/dbraw/zinc/72/12/15/794721215.db2.gz PKTCOZRRDMQUJF-BLLLJJGKSA-N 1 0 339.392 -1.063 20 30 EAEDRO C=CCCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278828732 794721583 /nfs/dbraw/zinc/72/15/83/794721583.db2.gz PKTCOZRRDMQUJF-LRDDRELGSA-N 1 0 339.392 -1.063 20 30 EAEDRO C=CCCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278828733 794723191 /nfs/dbraw/zinc/72/31/91/794723191.db2.gz PKTCOZRRDMQUJF-MLGOLLRUSA-N 1 0 339.392 -1.063 20 30 EAEDRO C=CCCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278828734 794722868 /nfs/dbraw/zinc/72/28/68/794722868.db2.gz PKTCOZRRDMQUJF-WBMJQRKESA-N 1 0 339.392 -1.063 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001278832315 794722837 /nfs/dbraw/zinc/72/28/37/794722837.db2.gz JUOBMGMUFAIPLA-GFCCVEGCSA-N 1 0 344.375 -1.270 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001278832319 794722851 /nfs/dbraw/zinc/72/28/51/794722851.db2.gz JUOBMGMUFAIPLA-LBPRGKRZSA-N 1 0 344.375 -1.270 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001278834048 794723157 /nfs/dbraw/zinc/72/31/57/794723157.db2.gz ZPWXKYAOZBUEPV-JTQLQIEISA-N 1 0 339.352 -3.304 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001278834050 794722686 /nfs/dbraw/zinc/72/26/86/794722686.db2.gz ZPWXKYAOZBUEPV-SNVBAGLBSA-N 1 0 339.352 -3.304 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCCOC1 ZINC001278837696 794722989 /nfs/dbraw/zinc/72/29/89/794722989.db2.gz BPMZBTJTAWYLPG-KBPBESRZSA-N 1 0 325.409 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ZINC001278838423 794724241 /nfs/dbraw/zinc/72/42/41/794724241.db2.gz JOBUMJSJHNLDKK-QWRGUYRKSA-N 1 0 346.409 -3.164 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001278838424 794724390 /nfs/dbraw/zinc/72/43/90/794724390.db2.gz JOBUMJSJHNLDKK-WDEREUQCSA-N 1 0 346.409 -3.164 20 30 EAEDRO CCn1nc(C)c(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)n1 ZINC001278839260 794723858 /nfs/dbraw/zinc/72/38/58/794723858.db2.gz OOAHVRVEMPDFPM-LLVKDONJSA-N 1 0 337.384 -1.731 20 30 EAEDRO CCn1nc(C)c(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)n1 ZINC001278839262 794724278 /nfs/dbraw/zinc/72/42/78/794724278.db2.gz OOAHVRVEMPDFPM-NSHDSACASA-N 1 0 337.384 -1.731 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCS1(=O)=O ZINC001278839929 794724596 /nfs/dbraw/zinc/72/45/96/794724596.db2.gz VGMSOQUSQJSBIJ-GHMZBOCLSA-N 1 0 346.409 -2.388 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCS1(=O)=O ZINC001278839930 794724619 /nfs/dbraw/zinc/72/46/19/794724619.db2.gz VGMSOQUSQJSBIJ-MNOVXSKESA-N 1 0 346.409 -2.388 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCS1(=O)=O ZINC001278839931 794724501 /nfs/dbraw/zinc/72/45/01/794724501.db2.gz VGMSOQUSQJSBIJ-QWRGUYRKSA-N 1 0 346.409 -2.388 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCS1(=O)=O ZINC001278839932 794724354 /nfs/dbraw/zinc/72/43/54/794724354.db2.gz VGMSOQUSQJSBIJ-WDEREUQCSA-N 1 0 346.409 -2.388 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001278843938 794724112 /nfs/dbraw/zinc/72/41/12/794724112.db2.gz AXUGMSDBQWYMRH-CYBMUJFWSA-N 1 0 335.408 -1.246 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001278843939 794724609 /nfs/dbraw/zinc/72/46/09/794724609.db2.gz AXUGMSDBQWYMRH-ZDUSSCGKSA-N 1 0 335.408 -1.246 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC12CCOCC2 ZINC001278845473 794724461 /nfs/dbraw/zinc/72/44/61/794724461.db2.gz ZUFRIFJNWCRMCA-CHWSQXEVSA-N 1 0 338.408 -1.148 20 30 EAEDRO 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C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cccn2nnnc12 ZINC001279723894 794905955 /nfs/dbraw/zinc/90/59/55/794905955.db2.gz APUDOYOIFPJWMO-UHFFFAOYSA-N 1 0 345.363 -2.102 20 30 EAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001279725004 785260951 /nfs/dbraw/zinc/26/09/51/785260951.db2.gz QTSJWDIZIGPVJV-CYBMUJFWSA-N 1 0 339.392 -1.416 20 30 EAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001279725005 785261707 /nfs/dbraw/zinc/26/17/07/785261707.db2.gz QTSJWDIZIGPVJV-ZDUSSCGKSA-N 1 0 339.392 -1.416 20 30 EAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1cccn2nnnc12 ZINC001279725173 785263242 /nfs/dbraw/zinc/26/32/42/785263242.db2.gz SNHOBPZWNHSRCM-UHFFFAOYSA-N 1 0 332.364 -1.202 20 30 EAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc2n(n1)CCO2 ZINC001279731044 794905720 /nfs/dbraw/zinc/90/57/20/794905720.db2.gz JRLPHROWJYDSHY-UHFFFAOYSA-N 1 0 335.364 -1.951 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279731195 794905783 /nfs/dbraw/zinc/90/57/83/794905783.db2.gz 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EAEDRO C#CCC[NH2+]C1(CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)CCC1 ZINC001280524972 794921743 /nfs/dbraw/zinc/92/17/43/794921743.db2.gz HKGVWUJSPWRHJC-LBPRGKRZSA-N 1 0 333.396 -1.170 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(N)=O)CCC1 ZINC001280547429 794922516 /nfs/dbraw/zinc/92/25/16/794922516.db2.gz GJLIUHYWEBMOGF-LBPRGKRZSA-N 1 0 335.408 -1.093 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC2(CCO)CN(C(=O)C(N)=O)C2)CC1 ZINC001280556348 794924757 /nfs/dbraw/zinc/92/47/57/794924757.db2.gz GIVNXWNTQYENCB-UHFFFAOYSA-N 1 0 336.392 -2.104 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001280558888 794925620 /nfs/dbraw/zinc/92/56/20/794925620.db2.gz KNADUPYOONVEOR-CYBMUJFWSA-N 1 0 338.408 -1.368 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001280558889 794925523 /nfs/dbraw/zinc/92/55/23/794925523.db2.gz KNADUPYOONVEOR-ZDUSSCGKSA-N 1 0 338.408 -1.368 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cccn2)CCO1 ZINC001280558940 786023767 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338.408 -1.580 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc(C)cn2)CCO1 ZINC001280560213 794925304 /nfs/dbraw/zinc/92/53/04/794925304.db2.gz RSHUMIRBTCKWRM-AWEZNQCLSA-N 1 0 333.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc(C)cn2)CCO1 ZINC001280560222 794925393 /nfs/dbraw/zinc/92/53/93/794925393.db2.gz RSHUMIRBTCKWRM-CQSZACIVSA-N 1 0 333.392 -1.242 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001280560726 786024572 /nfs/dbraw/zinc/02/45/72/786024572.db2.gz TYDSCKGUXQEMDO-GFCCVEGCSA-N 1 0 337.380 -2.031 20 30 EAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001280560728 786024965 /nfs/dbraw/zinc/02/49/65/786024965.db2.gz TYDSCKGUXQEMDO-LBPRGKRZSA-N 1 0 337.380 -2.031 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 ZINC001280566603 794927682 /nfs/dbraw/zinc/92/76/82/794927682.db2.gz NRHVDMPKESDMSN-AWEZNQCLSA-N 1 0 333.392 -1.471 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 ZINC001280566605 794927804 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EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)n2cncn2)CCO1 ZINC001280568256 794928691 /nfs/dbraw/zinc/92/86/91/794928691.db2.gz GAMTWHGLULKFFE-STQMWFEESA-N 1 0 336.396 -1.042 20 30 EAEDRO CN1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570386 794928071 /nfs/dbraw/zinc/92/80/71/794928071.db2.gz OPKVYHUOWUGRLZ-CHWSQXEVSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570387 794928794 /nfs/dbraw/zinc/92/87/94/794928794.db2.gz OPKVYHUOWUGRLZ-OLZOCXBDSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570389 794928684 /nfs/dbraw/zinc/92/86/84/794928684.db2.gz OPKVYHUOWUGRLZ-QWHCGFSZSA-N 1 0 339.396 -2.226 20 30 EAEDRO CN1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280570390 794928403 /nfs/dbraw/zinc/92/84/03/794928403.db2.gz OPKVYHUOWUGRLZ-STQMWFEESA-N 1 0 339.396 -2.226 20 30 EAEDRO Cc1nnc(CC(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)o1 ZINC001280579622 794928359 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794928653 /nfs/dbraw/zinc/92/86/53/794928653.db2.gz AGCRTWXFSGWOEV-ZDUSSCGKSA-N 1 0 346.453 -1.435 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001280581432 794928269 /nfs/dbraw/zinc/92/82/69/794928269.db2.gz SEDFGJNPHSWWMU-CYBMUJFWSA-N 1 0 336.396 -1.213 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001280581437 794928292 /nfs/dbraw/zinc/92/82/92/794928292.db2.gz SEDFGJNPHSWWMU-ZDUSSCGKSA-N 1 0 336.396 -1.213 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(OC)ncn2)CCO1 ZINC001280584082 794928756 /nfs/dbraw/zinc/92/87/56/794928756.db2.gz QLWDQRNLQGYIOE-GFCCVEGCSA-N 1 0 347.375 -1.335 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(OC)ncn2)CCO1 ZINC001280584084 794928707 /nfs/dbraw/zinc/92/87/07/794928707.db2.gz QLWDQRNLQGYIOE-LBPRGKRZSA-N 1 0 347.375 -1.335 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCO1 ZINC001280584883 794928573 /nfs/dbraw/zinc/92/85/73/794928573.db2.gz VCFBEDUCEUSBCV-CHWSQXEVSA-N 1 0 326.397 -1.100 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCO1 ZINC001280584884 794928136 /nfs/dbraw/zinc/92/81/36/794928136.db2.gz VCFBEDUCEUSBCV-OLZOCXBDSA-N 1 0 326.397 -1.100 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCO1 ZINC001280584885 794928439 /nfs/dbraw/zinc/92/84/39/794928439.db2.gz VCFBEDUCEUSBCV-QWHCGFSZSA-N 1 0 326.397 -1.100 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCO1 ZINC001280584886 794928771 /nfs/dbraw/zinc/92/87/71/794928771.db2.gz VCFBEDUCEUSBCV-STQMWFEESA-N 1 0 326.397 -1.100 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCO1 ZINC001280593796 794928479 /nfs/dbraw/zinc/92/84/79/794928479.db2.gz CUAJHJHRJJGSJK-CHWSQXEVSA-N 1 0 338.408 -1.368 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CCO1 ZINC001280593797 794928320 /nfs/dbraw/zinc/92/83/20/794928320.db2.gz CUAJHJHRJJGSJK-OLZOCXBDSA-N 1 0 338.408 -1.368 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCO1 ZINC001280593798 794928669 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30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC001280602131 794929924 /nfs/dbraw/zinc/92/99/24/794929924.db2.gz WXDSNIDEPTZBSN-QWHCGFSZSA-N 1 0 336.392 -1.921 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC001280602133 794929600 /nfs/dbraw/zinc/92/96/00/794929600.db2.gz WXDSNIDEPTZBSN-STQMWFEESA-N 1 0 336.392 -1.921 20 30 EAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)CCO1 ZINC001280602424 794929818 /nfs/dbraw/zinc/92/98/18/794929818.db2.gz YOMKQCYMHANXJI-LLVKDONJSA-N 1 0 327.362 -1.009 20 30 EAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)CCO1 ZINC001280602426 794930001 /nfs/dbraw/zinc/93/00/01/794930001.db2.gz YOMKQCYMHANXJI-NSHDSACASA-N 1 0 327.362 -1.009 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001280610980 794929677 /nfs/dbraw/zinc/92/96/77/794929677.db2.gz ZMOPGURIVXTAGJ-HLUFSKSISA-N 1 0 347.415 -1.024 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001280610981 794929843 /nfs/dbraw/zinc/92/98/43/794929843.db2.gz ZMOPGURIVXTAGJ-UZVBGSJOSA-N 1 0 347.415 -1.024 20 30 EAEDRO CN1C(=O)CC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001280618715 794929732 /nfs/dbraw/zinc/92/97/32/794929732.db2.gz CRIOAGDZNPEHDK-NEPJUHHUSA-N 1 0 337.380 -1.936 20 30 EAEDRO CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001280618717 794929440 /nfs/dbraw/zinc/92/94/40/794929440.db2.gz CRIOAGDZNPEHDK-RYUDHWBXSA-N 1 0 337.380 -1.936 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2ccnc2)CCO1 ZINC001280619066 794929632 /nfs/dbraw/zinc/92/96/32/794929632.db2.gz GNGRWMZMPNGFOF-AWEZNQCLSA-N 1 0 333.392 -1.160 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2ccnc2)CCO1 ZINC001280619067 794929406 /nfs/dbraw/zinc/92/94/06/794929406.db2.gz GNGRWMZMPNGFOF-CQSZACIVSA-N 1 0 333.392 -1.160 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001280621949 794931022 /nfs/dbraw/zinc/93/10/22/794931022.db2.gz VPCXPWJDZKEXIY-LLVKDONJSA-N 1 0 337.380 -1.142 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CCO1 ZINC001280621951 794931154 /nfs/dbraw/zinc/93/11/54/794931154.db2.gz VPCXPWJDZKEXIY-NSHDSACASA-N 1 0 337.380 -1.142 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 ZINC001280626961 794930968 /nfs/dbraw/zinc/93/09/68/794930968.db2.gz BOVNBVRANCCCQK-CHWSQXEVSA-N 1 0 338.408 -1.416 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 ZINC001280626964 786469238 /nfs/dbraw/zinc/46/92/38/786469238.db2.gz BOVNBVRANCCCQK-OLZOCXBDSA-N 1 0 338.408 -1.416 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 ZINC001280626969 786470073 /nfs/dbraw/zinc/47/00/73/786470073.db2.gz BOVNBVRANCCCQK-QWHCGFSZSA-N 1 0 338.408 -1.416 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 ZINC001280626973 786470757 /nfs/dbraw/zinc/47/07/57/786470757.db2.gz BOVNBVRANCCCQK-STQMWFEESA-N 1 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C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001280628321 794931108 /nfs/dbraw/zinc/93/11/08/794931108.db2.gz IOMRKPCJKMZFEM-WBMJQRKESA-N 1 0 336.392 -1.921 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CCO1 ZINC001280629383 794931101 /nfs/dbraw/zinc/93/11/01/794931101.db2.gz OVYBKTPAEJOLMU-LLVKDONJSA-N 1 0 335.364 -1.694 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CCO1 ZINC001280629410 794930502 /nfs/dbraw/zinc/93/05/02/794930502.db2.gz OVYBKTPAEJOLMU-NSHDSACASA-N 1 0 335.364 -1.694 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CCO1 ZINC001280630616 794930896 /nfs/dbraw/zinc/93/08/96/794930896.db2.gz QFJBNTIYIPOPOJ-CYBMUJFWSA-N 1 0 347.437 -1.478 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CCO1 ZINC001280630629 794931121 /nfs/dbraw/zinc/93/11/21/794931121.db2.gz QFJBNTIYIPOPOJ-ZDUSSCGKSA-N 1 0 347.437 -1.478 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001280630790 794930982 /nfs/dbraw/zinc/93/09/82/794930982.db2.gz RAGAVFUFAJNAGV-NEPJUHHUSA-N 1 0 336.392 -1.793 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001280630793 794930484 /nfs/dbraw/zinc/93/04/84/794930484.db2.gz RAGAVFUFAJNAGV-NWDGAFQWSA-N 1 0 336.392 -1.793 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001280630794 794931013 /nfs/dbraw/zinc/93/10/13/794931013.db2.gz RAGAVFUFAJNAGV-RYUDHWBXSA-N 1 0 336.392 -1.793 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001280630796 794931225 /nfs/dbraw/zinc/93/12/25/794931225.db2.gz RAGAVFUFAJNAGV-VXGBXAGGSA-N 1 0 336.392 -1.793 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001280631482 794930690 /nfs/dbraw/zinc/93/06/90/794930690.db2.gz YCMGXBHQUIUYEE-BLLLJJGKSA-N 1 0 338.408 -1.368 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001280631483 794930653 /nfs/dbraw/zinc/93/06/53/794930653.db2.gz YCMGXBHQUIUYEE-LRDDRELGSA-N 1 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EAEDRO COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001281119670 794982521 /nfs/dbraw/zinc/98/25/21/794982521.db2.gz CCHKWZRIAWDKIY-SWLSCSKDSA-N 1 0 326.397 -1.364 20 30 EAEDRO COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001281119671 794982862 /nfs/dbraw/zinc/98/28/62/794982862.db2.gz CCHKWZRIAWDKIY-WFASDCNBSA-N 1 0 326.397 -1.364 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001281119908 794982037 /nfs/dbraw/zinc/98/20/37/794982037.db2.gz FKSQYBRNZBDFLE-INIZCTEOSA-N 1 0 348.407 -1.692 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001281119918 794982324 /nfs/dbraw/zinc/98/23/24/794982324.db2.gz FKSQYBRNZBDFLE-MRXNPFEDSA-N 1 0 348.407 -1.692 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001281120133 794982014 /nfs/dbraw/zinc/98/20/14/794982014.db2.gz HKIRQZPQGNNZHE-ABAIWWIYSA-N 1 0 340.380 -1.660 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001281120135 794982049 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EAEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cnnn2CC)C1 ZINC001281120387 794982401 /nfs/dbraw/zinc/98/24/01/794982401.db2.gz IMSUHUWVNXUZKG-MRXNPFEDSA-N 1 0 348.407 -1.396 20 30 EAEDRO Cn1cnc(C(=O)N2CCC[C@](CO)([NH2+]CC(=O)NCC#N)C2)n1 ZINC001281120841 794982620 /nfs/dbraw/zinc/98/26/20/794982620.db2.gz NGVPASOZUWYONO-AWEZNQCLSA-N 1 0 335.368 -1.988 20 30 EAEDRO Cn1cnc(C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C2)n1 ZINC001281120848 794982746 /nfs/dbraw/zinc/98/27/46/794982746.db2.gz NGVPASOZUWYONO-CQSZACIVSA-N 1 0 335.368 -1.988 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)CC1 ZINC001281121676 794982498 /nfs/dbraw/zinc/98/24/98/794982498.db2.gz JUVGLEWRLHOMMB-HNNXBMFYSA-N 1 0 347.419 -1.109 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)CC1 ZINC001281121677 794982705 /nfs/dbraw/zinc/98/27/05/794982705.db2.gz JUVGLEWRLHOMMB-OAHLLOKOSA-N 1 0 347.419 -1.109 20 30 EAEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001281142450 794983667 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EAEDRO N#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 ZINC001281148463 794984462 /nfs/dbraw/zinc/98/44/62/794984462.db2.gz WLEHWROFXOTXJZ-HNNXBMFYSA-N 1 0 335.364 -1.200 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 ZINC001281148465 794983996 /nfs/dbraw/zinc/98/39/96/794983996.db2.gz WLEHWROFXOTXJZ-OAHLLOKOSA-N 1 0 335.364 -1.200 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001281163379 794985803 /nfs/dbraw/zinc/98/58/03/794985803.db2.gz NOEPBVHNUODJGO-BFQNTYOBSA-N 1 0 338.408 -1.647 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001281163383 794985742 /nfs/dbraw/zinc/98/57/42/794985742.db2.gz NOEPBVHNUODJGO-WQGACYEGSA-N 1 0 338.408 -1.647 20 30 EAEDRO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001281166041 794985605 /nfs/dbraw/zinc/98/56/05/794985605.db2.gz BEFGZYHEQJYJDW-INIZCTEOSA-N 1 0 336.392 -1.173 20 30 EAEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001281166044 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EAEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ncccn2)C1 ZINC001281167289 794985693 /nfs/dbraw/zinc/98/56/93/794985693.db2.gz KDFKHTGDLIOSHM-MRXNPFEDSA-N 1 0 331.376 -1.217 20 30 EAEDRO COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cnnn2)C1 ZINC001281168200 794985265 /nfs/dbraw/zinc/98/52/65/794985265.db2.gz QYYZUTDLAAYIFC-HNNXBMFYSA-N 1 0 336.396 -1.344 20 30 EAEDRO COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCn2cnnn2)C1 ZINC001281168201 794985425 /nfs/dbraw/zinc/98/54/25/794985425.db2.gz QYYZUTDLAAYIFC-OAHLLOKOSA-N 1 0 336.396 -1.344 20 30 EAEDRO C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001281191377 794986953 /nfs/dbraw/zinc/98/69/53/794986953.db2.gz GFXHQQNPSSLLRY-HNNXBMFYSA-N 1 0 336.396 -1.104 20 30 EAEDRO C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001281191381 794986878 /nfs/dbraw/zinc/98/68/78/794986878.db2.gz GFXHQQNPSSLLRY-OAHLLOKOSA-N 1 0 336.396 -1.104 20 30 EAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001281194678 794988090 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C#CCNC(=O)C[NH2+]CC1(NC(=O)CCc2nnc[nH]2)CCOCC1 ZINC001281223798 794988734 /nfs/dbraw/zinc/98/87/34/794988734.db2.gz FTMXCFIUCZZDDB-UHFFFAOYSA-N 1 0 348.407 -1.258 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)Cc2cc[nH]n2)CCOCC1 ZINC001281225540 794988995 /nfs/dbraw/zinc/98/89/95/794988995.db2.gz SGYHZYQNFXDADE-UHFFFAOYSA-N 1 0 334.380 -1.153 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H](C)n2cncn2)CCOCC1 ZINC001281226147 794988642 /nfs/dbraw/zinc/98/86/42/794988642.db2.gz WOQRMIRDMRKHPN-CYBMUJFWSA-N 1 0 348.407 -1.157 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H](C)n2cncn2)CCOCC1 ZINC001281226148 794988909 /nfs/dbraw/zinc/98/89/09/794988909.db2.gz WOQRMIRDMRKHPN-ZDUSSCGKSA-N 1 0 348.407 -1.157 20 30 EAEDRO COCC#CC[NH2+]CC1(NC(=O)C2CS(=O)(=O)C2)CCOCC1 ZINC001281239189 794988514 /nfs/dbraw/zinc/98/85/14/794988514.db2.gz LGBLZAIGIAXHDF-UHFFFAOYSA-N 1 0 344.433 -1.064 20 30 EAEDRO CC#CC[NH2+]CC1(NC(=O)Cn2cnc(C(N)=O)n2)CCOCC1 ZINC001281239557 794988830 /nfs/dbraw/zinc/98/88/30/794988830.db2.gz 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C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001282157154 795060285 /nfs/dbraw/zinc/06/02/85/795060285.db2.gz RMGAIXIOFWXECU-VXGBXAGGSA-N 1 0 336.392 -1.242 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001282200464 795062230 /nfs/dbraw/zinc/06/22/30/795062230.db2.gz GORKFJKKXXHCCN-GHMZBOCLSA-N 1 0 346.453 -1.454 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001282200465 795062012 /nfs/dbraw/zinc/06/20/12/795062012.db2.gz GORKFJKKXXHCCN-MNOVXSKESA-N 1 0 346.453 -1.454 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001282200466 795062368 /nfs/dbraw/zinc/06/23/68/795062368.db2.gz GORKFJKKXXHCCN-QWRGUYRKSA-N 1 0 346.453 -1.454 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001282200467 795061757 /nfs/dbraw/zinc/06/17/57/795061757.db2.gz GORKFJKKXXHCCN-WDEREUQCSA-N 1 0 346.453 -1.454 20 30 EAEDRO Cc1cc(C)n(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001282205774 795061563 /nfs/dbraw/zinc/06/15/63/795061563.db2.gz ISKBZZCWJYXYAT-CHWSQXEVSA-N 1 0 348.407 -1.017 20 30 EAEDRO Cc1cc(C)n(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001282205775 795061296 /nfs/dbraw/zinc/06/12/96/795061296.db2.gz ISKBZZCWJYXYAT-OLZOCXBDSA-N 1 0 348.407 -1.017 20 30 EAEDRO Cc1cc(C)n(CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001282205777 795061998 /nfs/dbraw/zinc/06/19/98/795061998.db2.gz ISKBZZCWJYXYAT-QWHCGFSZSA-N 1 0 348.407 -1.017 20 30 EAEDRO Cc1cc(C)n(CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)c(=O)n1 ZINC001282205779 795061917 /nfs/dbraw/zinc/06/19/17/795061917.db2.gz ISKBZZCWJYXYAT-STQMWFEESA-N 1 0 348.407 -1.017 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001282212955 795061771 /nfs/dbraw/zinc/06/17/71/795061771.db2.gz BMCQMCMEPRFULY-GHMZBOCLSA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001282212958 795062099 /nfs/dbraw/zinc/06/20/99/795062099.db2.gz BMCQMCMEPRFULY-MNOVXSKESA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001282212960 795061538 /nfs/dbraw/zinc/06/15/38/795061538.db2.gz BMCQMCMEPRFULY-QWRGUYRKSA-N 1 0 337.380 -1.887 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001282212962 795062280 /nfs/dbraw/zinc/06/22/80/795062280.db2.gz BMCQMCMEPRFULY-WDEREUQCSA-N 1 0 337.380 -1.887 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001282214092 795061702 /nfs/dbraw/zinc/06/17/02/795061702.db2.gz JBCDOTPAOFAVRQ-GHMZBOCLSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001282214093 795061813 /nfs/dbraw/zinc/06/18/13/795061813.db2.gz JBCDOTPAOFAVRQ-MNOVXSKESA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001282214094 795061799 /nfs/dbraw/zinc/06/17/99/795061799.db2.gz JBCDOTPAOFAVRQ-QWRGUYRKSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001282214095 795061960 /nfs/dbraw/zinc/06/19/60/795061960.db2.gz JBCDOTPAOFAVRQ-WDEREUQCSA-N 1 0 339.396 -1.287 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001282231062 795061336 /nfs/dbraw/zinc/06/13/36/795061336.db2.gz UDOLBFKLFHFRJH-NXEZZACHSA-N 1 0 337.380 -1.116 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001282231063 795062113 /nfs/dbraw/zinc/06/21/13/795062113.db2.gz UDOLBFKLFHFRJH-UWVGGRQHSA-N 1 0 337.380 -1.116 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001282231064 795061832 /nfs/dbraw/zinc/06/18/32/795061832.db2.gz UDOLBFKLFHFRJH-VHSXEESVSA-N 1 0 337.380 -1.116 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001282231065 795062175 /nfs/dbraw/zinc/06/21/75/795062175.db2.gz UDOLBFKLFHFRJH-ZJUUUORDSA-N 1 0 337.380 -1.116 20 30 EAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)CS(C)(=O)=O ZINC001282288226 788352350 /nfs/dbraw/zinc/35/23/50/788352350.db2.gz DTNBKNZEGQVSCP-UHFFFAOYSA-N 1 0 332.426 -1.255 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CNC(=O)NC ZINC001282306600 788354156 /nfs/dbraw/zinc/35/41/56/788354156.db2.gz KAIQAZWCBGFAQC-UHFFFAOYSA-N 1 0 325.413 -1.261 20 30 EAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001282313696 788354560 /nfs/dbraw/zinc/35/45/60/788354560.db2.gz OOGACMIHQXYBHT-LLVKDONJSA-N 1 0 338.412 -1.276 20 30 EAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001282313697 788354488 /nfs/dbraw/zinc/35/44/88/788354488.db2.gz OOGACMIHQXYBHT-NSHDSACASA-N 1 0 338.412 -1.276 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)NC)C1=O ZINC001282496758 788369370 /nfs/dbraw/zinc/36/93/70/788369370.db2.gz ZWKGXXPULREKNM-NEPJUHHUSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)NC)C1=O ZINC001282496763 788369851 /nfs/dbraw/zinc/36/98/51/788369851.db2.gz ZWKGXXPULREKNM-NWDGAFQWSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)NC)C1=O ZINC001282496765 788369823 /nfs/dbraw/zinc/36/98/23/788369823.db2.gz ZWKGXXPULREKNM-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)NC)C1=O ZINC001282496767 788369286 /nfs/dbraw/zinc/36/92/86/788369286.db2.gz ZWKGXXPULREKNM-VXGBXAGGSA-N 1 0 346.453 -1.241 20 30 EAEDRO CC(C)[C@H](C(=O)NC1(CCO)CN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001282529390 788371810 /nfs/dbraw/zinc/37/18/10/788371810.db2.gz JBQKFLZERTXIQU-CQSZACIVSA-N 1 0 339.440 -1.235 20 30 EAEDRO CC(C)[C@@H](CCN(C)C(=O)c1nnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001282560832 788374191 /nfs/dbraw/zinc/37/41/91/788374191.db2.gz BQRMDRFUVVJDJF-LLVKDONJSA-N 1 0 336.400 -1.074 20 30 EAEDRO CC(C)[C@H](CCN(C)C(=O)c1nnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001282560835 788374349 /nfs/dbraw/zinc/37/43/49/788374349.db2.gz BQRMDRFUVVJDJF-NSHDSACASA-N 1 0 336.400 -1.074 20 30 EAEDRO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001282563964 788374171 /nfs/dbraw/zinc/37/41/71/788374171.db2.gz ZZZUATGCKGPKHY-NEPJUHHUSA-N 1 0 338.412 -1.230 20 30 EAEDRO CC(C)[C@H](CCN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001282563971 788374241 /nfs/dbraw/zinc/37/42/41/788374241.db2.gz ZZZUATGCKGPKHY-NWDGAFQWSA-N 1 0 338.412 -1.230 20 30 EAEDRO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001282563972 788374102 /nfs/dbraw/zinc/37/41/02/788374102.db2.gz ZZZUATGCKGPKHY-RYUDHWBXSA-N 1 0 338.412 -1.230 20 30 EAEDRO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001282563973 788373849 /nfs/dbraw/zinc/37/38/49/788373849.db2.gz ZZZUATGCKGPKHY-VXGBXAGGSA-N 1 0 338.412 -1.230 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CNC(=O)N2)CCCCC1 ZINC001282618944 788379203 /nfs/dbraw/zinc/37/92/03/788379203.db2.gz GXRHSBHEBFRTSQ-LLVKDONJSA-N 1 0 336.396 -1.284 20 30 EAEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CNC(=O)N2)CCCCC1 ZINC001282618945 788379375 /nfs/dbraw/zinc/37/93/75/788379375.db2.gz GXRHSBHEBFRTSQ-NSHDSACASA-N 1 0 336.396 -1.284 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CNC(=O)N2)CCCCC1 ZINC001282619346 788379731 /nfs/dbraw/zinc/37/97/31/788379731.db2.gz RAXSGDHLRSPHDL-GFCCVEGCSA-N 1 0 335.408 -1.174 20 30 EAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CNC(=O)N2)CCCCC1 ZINC001282619347 788379345 /nfs/dbraw/zinc/37/93/45/788379345.db2.gz RAXSGDHLRSPHDL-LBPRGKRZSA-N 1 0 335.408 -1.174 20 30 EAEDRO C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CN(CC(=O)NCC#N)CCO2 ZINC001282782140 788383423 /nfs/dbraw/zinc/38/34/23/788383423.db2.gz QCPCOLOLEWTANT-INIZCTEOSA-N 1 0 337.424 -1.119 20 30 EAEDRO C[NH+](C)CCC(=O)N1CC[C@]2(C1)CN(CC(=O)NCC#N)CCO2 ZINC001282782141 788383634 /nfs/dbraw/zinc/38/36/34/788383634.db2.gz QCPCOLOLEWTANT-MRXNPFEDSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 ZINC001282848519 788384257 /nfs/dbraw/zinc/38/42/57/788384257.db2.gz HNQAOKPHXNOOKX-SYQHCUMBSA-N 1 0 333.388 -1.017 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 ZINC001282848520 788384363 /nfs/dbraw/zinc/38/43/63/788384363.db2.gz HNQAOKPHXNOOKX-XDQVBPFNSA-N 1 0 333.388 -1.017 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC)n3)[C@@H]2C1 ZINC001282857846 788385218 /nfs/dbraw/zinc/38/52/18/788385218.db2.gz DHDCHKDICKBXBV-XYYAHUGASA-N 1 0 330.392 -1.045 20 30 EAEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001282859356 788385590 /nfs/dbraw/zinc/38/55/90/788385590.db2.gz BSDPXXZUVPQRQB-YFKTTZPYSA-N 1 0 349.391 -1.819 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001282860126 788385863 /nfs/dbraw/zinc/38/58/63/788385863.db2.gz GKWHXSODTNMENA-SYQHCUMBSA-N 1 0 332.404 -1.444 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001282860128 788385151 /nfs/dbraw/zinc/38/51/51/788385151.db2.gz 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VKRQLTOYJPEDHM-TUVASFSCSA-N 1 0 346.431 -1.102 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC001282862332 788385036 /nfs/dbraw/zinc/38/50/36/788385036.db2.gz VKRQLTOYJPEDHM-ZQDZILKHSA-N 1 0 346.431 -1.102 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001282869965 788386218 /nfs/dbraw/zinc/38/62/18/788386218.db2.gz CTKUXPFCTVKEKE-SYQHCUMBSA-N 1 0 332.404 -1.444 20 30 EAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001282869967 788387047 /nfs/dbraw/zinc/38/70/47/788387047.db2.gz CTKUXPFCTVKEKE-XDQVBPFNSA-N 1 0 332.404 -1.444 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001282876184 788388194 /nfs/dbraw/zinc/38/81/94/788388194.db2.gz KCOJEDXIKGWUFC-KHMAMNHCSA-N 1 0 346.431 -1.069 20 30 EAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001282876593 788387417 /nfs/dbraw/zinc/38/74/17/788387417.db2.gz 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ZINC001283679256 788476213 /nfs/dbraw/zinc/47/62/13/788476213.db2.gz LPFWGQFYUVONCM-QWRGUYRKSA-N 1 0 332.426 -1.890 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001283679257 788476469 /nfs/dbraw/zinc/47/64/69/788476469.db2.gz LPFWGQFYUVONCM-WDEREUQCSA-N 1 0 332.426 -1.890 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001283690756 788476879 /nfs/dbraw/zinc/47/68/79/788476879.db2.gz HNPHOBUSYHDBNM-GHMZBOCLSA-N 1 0 336.392 -1.386 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001283690799 788476742 /nfs/dbraw/zinc/47/67/42/788476742.db2.gz HNPHOBUSYHDBNM-MNOVXSKESA-N 1 0 336.392 -1.386 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001283690804 788476911 /nfs/dbraw/zinc/47/69/11/788476911.db2.gz HNPHOBUSYHDBNM-QWRGUYRKSA-N 1 0 336.392 -1.386 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001283690810 788477020 /nfs/dbraw/zinc/47/70/20/788477020.db2.gz HNPHOBUSYHDBNM-WDEREUQCSA-N 1 0 336.392 -1.386 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001283691071 788475798 /nfs/dbraw/zinc/47/57/98/788475798.db2.gz JIWIUKACEQWBMB-JTQLQIEISA-N 1 0 337.384 -1.123 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001283691072 788476796 /nfs/dbraw/zinc/47/67/96/788476796.db2.gz JIWIUKACEQWBMB-SNVBAGLBSA-N 1 0 337.384 -1.123 20 30 EAEDRO CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001283693480 788476727 /nfs/dbraw/zinc/47/67/27/788476727.db2.gz VISKKYYFNLVCLU-LLVKDONJSA-N 1 0 336.400 -1.127 20 30 EAEDRO CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001283693481 788476036 /nfs/dbraw/zinc/47/60/36/788476036.db2.gz VISKKYYFNLVCLU-NSHDSACASA-N 1 0 336.400 -1.127 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001283693619 788476056 /nfs/dbraw/zinc/47/60/56/788476056.db2.gz WTZBQBCBKRUSMA-GFCCVEGCSA-N 1 0 335.412 -1.018 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001283693621 788476193 /nfs/dbraw/zinc/47/61/93/788476193.db2.gz WTZBQBCBKRUSMA-LBPRGKRZSA-N 1 0 335.412 -1.018 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283713361 788478031 /nfs/dbraw/zinc/47/80/31/788478031.db2.gz JFNZUSGRUOWJSN-JTQLQIEISA-N 1 0 325.369 -1.723 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283713363 788478167 /nfs/dbraw/zinc/47/81/67/788478167.db2.gz JFNZUSGRUOWJSN-SNVBAGLBSA-N 1 0 325.369 -1.723 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001283713653 788477392 /nfs/dbraw/zinc/47/73/92/788477392.db2.gz LMUKPBYGXZUJDD-NEPJUHHUSA-N 1 0 336.392 -1.290 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001283713654 788477710 /nfs/dbraw/zinc/47/77/10/788477710.db2.gz LMUKPBYGXZUJDD-NWDGAFQWSA-N 1 0 336.392 -1.290 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001283713656 788477474 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C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O)C1=O ZINC001283732741 788479889 /nfs/dbraw/zinc/47/98/89/788479889.db2.gz AFDPYANPXIRLBT-CHWSQXEVSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O)C1=O ZINC001283732743 788479470 /nfs/dbraw/zinc/47/94/70/788479470.db2.gz AFDPYANPXIRLBT-OLZOCXBDSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O)C1=O ZINC001283732745 788479541 /nfs/dbraw/zinc/47/95/41/788479541.db2.gz AFDPYANPXIRLBT-QWHCGFSZSA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O)C1=O ZINC001283732747 788479934 /nfs/dbraw/zinc/47/99/34/788479934.db2.gz AFDPYANPXIRLBT-STQMWFEESA-N 1 0 326.397 -1.682 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001283732846 788479362 /nfs/dbraw/zinc/47/93/62/788479362.db2.gz JDEDRLMMOLVDCY-CMPLNLGQSA-N 1 0 335.364 -1.351 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001283732847 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20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764880 788483878 /nfs/dbraw/zinc/48/38/78/788483878.db2.gz OKQVJVUNSFFRJO-MNOVXSKESA-N 1 0 325.369 -2.654 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001283764886 788483915 /nfs/dbraw/zinc/48/39/15/788483915.db2.gz OKQVJVUNSFFRJO-QWRGUYRKSA-N 1 0 325.369 -2.654 20 30 EAEDRO COc1cc(C)cnc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283764981 788485074 /nfs/dbraw/zinc/48/50/74/788485074.db2.gz OVIWXTPHHJFIBI-LLVKDONJSA-N 1 0 335.364 -1.281 20 30 EAEDRO COc1cc(C)cnc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283764982 788484275 /nfs/dbraw/zinc/48/42/75/788484275.db2.gz OVIWXTPHHJFIBI-NSHDSACASA-N 1 0 335.364 -1.281 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001283765392 788484037 /nfs/dbraw/zinc/48/40/37/788484037.db2.gz TYWBIHQKKOBMAV-GHMZBOCLSA-N 1 0 338.364 -2.660 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001283765393 788484072 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/nfs/dbraw/zinc/48/77/73/788487773.db2.gz LYEQIZKBSPMXIN-LBPRGKRZSA-N 1 0 325.369 -2.312 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001283784077 788487739 /nfs/dbraw/zinc/48/77/39/788487739.db2.gz MBXQIGNAQXQUFS-KZVDOYCCSA-N 1 0 340.380 -2.256 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001283784078 788487522 /nfs/dbraw/zinc/48/75/22/788487522.db2.gz MBXQIGNAQXQUFS-ZJQBRPOHSA-N 1 0 340.380 -2.256 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001283784338 788487879 /nfs/dbraw/zinc/48/78/79/788487879.db2.gz MTFJDZGTPUDFCA-LJISPDSOSA-N 1 0 326.393 -1.246 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001283784346 788487316 /nfs/dbraw/zinc/48/73/16/788487316.db2.gz MTFJDZGTPUDFCA-ZQDZILKHSA-N 1 0 326.393 -1.246 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001283784845 788486859 /nfs/dbraw/zinc/48/68/59/788486859.db2.gz PUHLDWGRHKNWQE-MNOVXSKESA-N 1 0 347.393 -3.384 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001283784848 788487907 /nfs/dbraw/zinc/48/79/07/788487907.db2.gz PUHLDWGRHKNWQE-QWRGUYRKSA-N 1 0 347.393 -3.384 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001283785620 788487407 /nfs/dbraw/zinc/48/74/07/788487407.db2.gz UMPKOKBPWLXVEQ-GFCCVEGCSA-N 1 0 345.363 -1.613 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001283785626 788487722 /nfs/dbraw/zinc/48/77/22/788487722.db2.gz UMPKOKBPWLXVEQ-LBPRGKRZSA-N 1 0 345.363 -1.613 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001283785995 788487503 /nfs/dbraw/zinc/48/75/03/788487503.db2.gz WERYKMDVKDETJF-AWEZNQCLSA-N 1 0 344.375 -1.008 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001283785996 788487027 /nfs/dbraw/zinc/48/70/27/788487027.db2.gz WERYKMDVKDETJF-CQSZACIVSA-N 1 0 344.375 -1.008 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283791372 788487948 /nfs/dbraw/zinc/48/79/48/788487948.db2.gz GDPFHCPBQVABIU-NEPJUHHUSA-N 1 0 339.396 -3.377 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283791373 788487571 /nfs/dbraw/zinc/48/75/71/788487571.db2.gz GDPFHCPBQVABIU-NWDGAFQWSA-N 1 0 339.396 -3.377 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283791374 788488059 /nfs/dbraw/zinc/48/80/59/788488059.db2.gz GDPFHCPBQVABIU-RYUDHWBXSA-N 1 0 339.396 -3.377 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283791375 788487593 /nfs/dbraw/zinc/48/75/93/788487593.db2.gz GDPFHCPBQVABIU-VXGBXAGGSA-N 1 0 339.396 -3.377 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001283796687 788489126 /nfs/dbraw/zinc/48/91/26/788489126.db2.gz KKDILERUQUVUGO-AAEUAGOBSA-N 1 0 349.391 -1.309 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001283796693 788489574 /nfs/dbraw/zinc/48/95/74/788489574.db2.gz KKDILERUQUVUGO-DGCLKSJQSA-N 1 0 349.391 -1.309 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001283796695 788488477 /nfs/dbraw/zinc/48/84/77/788488477.db2.gz KKDILERUQUVUGO-WCQYABFASA-N 1 0 349.391 -1.309 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001283796697 788489079 /nfs/dbraw/zinc/48/90/79/788489079.db2.gz KKDILERUQUVUGO-YPMHNXCESA-N 1 0 349.391 -1.309 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2ncn(C)c2n1 ZINC001283803026 788490560 /nfs/dbraw/zinc/49/05/60/788490560.db2.gz DHHUOPYZJDGCDV-LLVKDONJSA-N 1 0 346.391 -1.049 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2ncn(C)c2n1 ZINC001283803028 788490432 /nfs/dbraw/zinc/49/04/32/788490432.db2.gz DHHUOPYZJDGCDV-NSHDSACASA-N 1 0 346.391 -1.049 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001283803391 788490754 /nfs/dbraw/zinc/49/07/54/788490754.db2.gz FBHBXKPVOMWKQH-GFCCVEGCSA-N 1 0 334.376 -1.181 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001283803397 788490678 /nfs/dbraw/zinc/49/06/78/788490678.db2.gz FBHBXKPVOMWKQH-LBPRGKRZSA-N 1 0 334.376 -1.181 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283804376 788490930 /nfs/dbraw/zinc/49/09/30/788490930.db2.gz OXNXKOZWNOIEIG-NXEZZACHSA-N 1 0 325.369 -1.503 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283804377 788490204 /nfs/dbraw/zinc/49/02/04/788490204.db2.gz OXNXKOZWNOIEIG-UWVGGRQHSA-N 1 0 325.369 -1.503 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283804378 788490371 /nfs/dbraw/zinc/49/03/71/788490371.db2.gz OXNXKOZWNOIEIG-VHSXEESVSA-N 1 0 325.369 -1.503 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283804379 788491220 /nfs/dbraw/zinc/49/12/20/788491220.db2.gz OXNXKOZWNOIEIG-ZJUUUORDSA-N 1 0 325.369 -1.503 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(=O)NCC ZINC001283804540 788490325 /nfs/dbraw/zinc/49/03/25/788490325.db2.gz MJLLSJLCVXRDQY-TUAOUCFPSA-N 1 0 342.396 -1.510 20 30 EAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(=O)NCC ZINC001283804541 788492029 /nfs/dbraw/zinc/49/20/29/788492029.db2.gz MJLLSJLCVXRDQY-UTUOFQBUSA-N 1 0 342.396 -1.510 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001283806344 788492940 /nfs/dbraw/zinc/49/29/40/788492940.db2.gz VFMPNFIDAGRUAW-LLVKDONJSA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001283806345 788491908 /nfs/dbraw/zinc/49/19/08/788491908.db2.gz VFMPNFIDAGRUAW-NSHDSACASA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001283811910 788492501 /nfs/dbraw/zinc/49/25/01/788492501.db2.gz AHQQUHXNSBMSRS-DZGCQCFKSA-N 1 0 349.362 -1.055 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001283811911 788491793 /nfs/dbraw/zinc/49/17/93/788491793.db2.gz AHQQUHXNSBMSRS-HIFRSBDPSA-N 1 0 349.362 -1.055 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001283811912 788492433 /nfs/dbraw/zinc/49/24/33/788492433.db2.gz AHQQUHXNSBMSRS-UKRRQHHQSA-N 1 0 349.362 -1.055 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001283811913 788492928 /nfs/dbraw/zinc/49/29/28/788492928.db2.gz AHQQUHXNSBMSRS-ZFWWWQNUSA-N 1 0 349.362 -1.055 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn2cc(C)cnc12 ZINC001283812400 788492492 /nfs/dbraw/zinc/49/24/92/788492492.db2.gz HCZDPOGQLRNGKM-GFCCVEGCSA-N 1 0 344.375 -1.533 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn2cc(C)cnc12 ZINC001283812401 788491832 /nfs/dbraw/zinc/49/18/32/788491832.db2.gz HCZDPOGQLRNGKM-LBPRGKRZSA-N 1 0 344.375 -1.533 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001283812442 788492735 /nfs/dbraw/zinc/49/27/35/788492735.db2.gz HWZOIUWBWFGKEO-LLVKDONJSA-N 1 0 332.364 -1.288 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001283812443 788492532 /nfs/dbraw/zinc/49/25/32/788492532.db2.gz HWZOIUWBWFGKEO-NSHDSACASA-N 1 0 332.364 -1.288 20 30 EAEDRO CN(C)c1cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)ccn1 ZINC001283812708 788492549 /nfs/dbraw/zinc/49/25/49/788492549.db2.gz JAVDDYLBBFTCIR-GFCCVEGCSA-N 1 0 334.380 -1.532 20 30 EAEDRO CN(C)c1cc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)ccn1 ZINC001283812709 788491727 /nfs/dbraw/zinc/49/17/27/788491727.db2.gz JAVDDYLBBFTCIR-LBPRGKRZSA-N 1 0 334.380 -1.532 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001283813915 788494172 /nfs/dbraw/zinc/49/41/72/788494172.db2.gz RZJKWZKKTXKICT-GXTWGEPZSA-N 1 0 332.422 -1.330 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001283813916 785289537 /nfs/dbraw/zinc/28/95/37/785289537.db2.gz RZJKWZKKTXKICT-JSGCOSHPSA-N 1 0 332.422 -1.330 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001283813920 785291361 /nfs/dbraw/zinc/29/13/61/785291361.db2.gz RZJKWZKKTXKICT-OCCSQVGLSA-N 1 0 332.422 -1.330 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001283813930 785291935 /nfs/dbraw/zinc/29/19/35/785291935.db2.gz RZJKWZKKTXKICT-TZMCWYRMSA-N 1 0 332.422 -1.330 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn2ccccc12 ZINC001283814363 788494229 /nfs/dbraw/zinc/49/42/29/788494229.db2.gz GEOCHIHILSTWNW-GFCCVEGCSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn2ccccc12 ZINC001283814364 788493252 /nfs/dbraw/zinc/49/32/52/788493252.db2.gz GEOCHIHILSTWNW-LBPRGKRZSA-N 1 0 329.360 -1.236 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)nc1 ZINC001283814592 788493764 /nfs/dbraw/zinc/49/37/64/788493764.db2.gz AGEXADAGPGOTIU-GFCCVEGCSA-N 1 0 340.405 -1.708 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)nc1 ZINC001283814601 788493910 /nfs/dbraw/zinc/49/39/10/788493910.db2.gz AGEXADAGPGOTIU-LBPRGKRZSA-N 1 0 340.405 -1.708 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2nonc2C)C1=O ZINC001283814622 788494385 /nfs/dbraw/zinc/49/43/85/788494385.db2.gz AOBQGFJYGLNVPQ-NEPJUHHUSA-N 1 0 337.380 -1.226 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2nonc2C)C1=O ZINC001283814653 788494320 /nfs/dbraw/zinc/49/43/20/788494320.db2.gz AOBQGFJYGLNVPQ-NWDGAFQWSA-N 1 0 337.380 -1.226 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2nonc2C)C1=O ZINC001283814655 788493616 /nfs/dbraw/zinc/49/36/16/788493616.db2.gz AOBQGFJYGLNVPQ-RYUDHWBXSA-N 1 0 337.380 -1.226 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc2nonc2C)C1=O ZINC001283814656 788493720 /nfs/dbraw/zinc/49/37/20/788493720.db2.gz AOBQGFJYGLNVPQ-VXGBXAGGSA-N 1 0 337.380 -1.226 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c2c(nn1C)CCC2 ZINC001283815303 788493730 /nfs/dbraw/zinc/49/37/30/788493730.db2.gz DHNPAIYMSOIQAO-LLVKDONJSA-N 1 0 333.392 -1.662 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c2c(nn1C)CCC2 ZINC001283815307 788494020 /nfs/dbraw/zinc/49/40/20/788494020.db2.gz DHNPAIYMSOIQAO-NSHDSACASA-N 1 0 333.392 -1.662 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)nc1 ZINC001283816126 788494528 /nfs/dbraw/zinc/49/45/28/788494528.db2.gz HDIXLHRHZGETJC-GFCCVEGCSA-N 1 0 325.390 -1.212 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)nc1 ZINC001283816128 788493388 /nfs/dbraw/zinc/49/33/88/788493388.db2.gz HDIXLHRHZGETJC-LBPRGKRZSA-N 1 0 325.390 -1.212 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn(C(F)F)c1 ZINC001283816365 788493367 /nfs/dbraw/zinc/49/33/67/788493367.db2.gz PHFZQXPUFVOROW-JTQLQIEISA-N 1 0 329.307 -1.292 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn(C(F)F)c1 ZINC001283816368 788494399 /nfs/dbraw/zinc/49/43/99/788494399.db2.gz PHFZQXPUFVOROW-SNVBAGLBSA-N 1 0 329.307 -1.292 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001283816684 788495967 /nfs/dbraw/zinc/49/59/67/788495967.db2.gz KJYHCYNGMXOXSJ-GFCCVEGCSA-N 1 0 347.375 -2.129 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001283816686 788496147 /nfs/dbraw/zinc/49/61/47/788496147.db2.gz KJYHCYNGMXOXSJ-LBPRGKRZSA-N 1 0 347.375 -2.129 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001283817217 788495794 /nfs/dbraw/zinc/49/57/94/788495794.db2.gz LUMZSQWBQQELOA-NEPJUHHUSA-N 1 0 347.419 -1.036 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001283817219 788495489 /nfs/dbraw/zinc/49/54/89/788495489.db2.gz LUMZSQWBQQELOA-NWDGAFQWSA-N 1 0 347.419 -1.036 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001283817221 788495422 /nfs/dbraw/zinc/49/54/22/788495422.db2.gz LUMZSQWBQQELOA-RYUDHWBXSA-N 1 0 347.419 -1.036 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001283817223 788495949 /nfs/dbraw/zinc/49/59/49/788495949.db2.gz LUMZSQWBQQELOA-VXGBXAGGSA-N 1 0 347.419 -1.036 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001283817346 788496031 /nfs/dbraw/zinc/49/60/31/788496031.db2.gz NANRTJXWFCRTHQ-JTQLQIEISA-N 1 0 339.352 -3.304 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001283817349 788495923 /nfs/dbraw/zinc/49/59/23/788495923.db2.gz NANRTJXWFCRTHQ-SNVBAGLBSA-N 1 0 339.352 -3.304 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCOCC2)nc1 ZINC001283818579 788496186 /nfs/dbraw/zinc/49/61/86/788496186.db2.gz RCKNCMAQQAWIEI-AWEZNQCLSA-N 1 0 346.387 -1.398 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCOCC2)nc1 ZINC001283818581 788495445 /nfs/dbraw/zinc/49/54/45/788495445.db2.gz RCKNCMAQQAWIEI-CQSZACIVSA-N 1 0 346.387 -1.398 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001283818611 788496268 /nfs/dbraw/zinc/49/62/68/788496268.db2.gz RLMWNAHXPSELOU-AAEUAGOBSA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001283818614 788496321 /nfs/dbraw/zinc/49/63/21/788496321.db2.gz RLMWNAHXPSELOU-DGCLKSJQSA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001283818616 788495867 /nfs/dbraw/zinc/49/58/67/788495867.db2.gz RLMWNAHXPSELOU-WCQYABFASA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001283818617 788496140 /nfs/dbraw/zinc/49/61/40/788496140.db2.gz RLMWNAHXPSELOU-YPMHNXCESA-N 1 0 335.408 -1.117 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2nncn2c1 ZINC001283818660 788495855 /nfs/dbraw/zinc/49/58/55/788495855.db2.gz XZTCGDCRLKBTNF-GFCCVEGCSA-N 1 0 330.348 -1.841 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2nncn2c1 ZINC001283818661 788495587 /nfs/dbraw/zinc/49/55/87/788495587.db2.gz XZTCGDCRLKBTNF-LBPRGKRZSA-N 1 0 330.348 -1.841 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001283819003 788495524 /nfs/dbraw/zinc/49/55/24/788495524.db2.gz SRFJLGQSNRGGAR-GFCCVEGCSA-N 1 0 345.355 -1.100 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001283819006 788496199 /nfs/dbraw/zinc/49/61/99/788496199.db2.gz SRFJLGQSNRGGAR-LBPRGKRZSA-N 1 0 345.355 -1.100 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ccc(OC)nn2)C1=O ZINC001283819090 788495396 /nfs/dbraw/zinc/49/53/96/788495396.db2.gz UBBNGPYFQOSQNP-AAEUAGOBSA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(OC)nn2)C1=O ZINC001283819091 788496109 /nfs/dbraw/zinc/49/61/09/788496109.db2.gz UBBNGPYFQOSQNP-DGCLKSJQSA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ccc(OC)nn2)C1=O ZINC001283819092 788496097 /nfs/dbraw/zinc/49/60/97/788496097.db2.gz UBBNGPYFQOSQNP-WCQYABFASA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(OC)nn2)C1=O ZINC001283819093 788495643 /nfs/dbraw/zinc/49/56/43/788495643.db2.gz UBBNGPYFQOSQNP-YPMHNXCESA-N 1 0 349.391 -1.048 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc2c(cnn2C)c1 ZINC001283819175 788495376 /nfs/dbraw/zinc/49/53/76/788495376.db2.gz ZXPUJGSGCQPRKR-CYBMUJFWSA-N 1 0 346.391 -1.049 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc2c(cnn2C)c1 ZINC001283819176 788495762 /nfs/dbraw/zinc/49/57/62/788495762.db2.gz ZXPUJGSGCQPRKR-ZDUSSCGKSA-N 1 0 346.391 -1.049 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O)cn1 ZINC001283822463 788497338 /nfs/dbraw/zinc/49/73/38/788497338.db2.gz CBXWLSPCVKOFPS-CYBMUJFWSA-N 1 0 340.405 -1.708 20 30 EAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O)cn1 ZINC001283822465 788496975 /nfs/dbraw/zinc/49/69/75/788496975.db2.gz CBXWLSPCVKOFPS-ZDUSSCGKSA-N 1 0 340.405 -1.708 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001283823436 788499288 /nfs/dbraw/zinc/49/92/88/788499288.db2.gz HLWICQFHQIJPGR-GFCCVEGCSA-N 1 0 325.369 -2.393 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001283823438 788499200 /nfs/dbraw/zinc/49/92/00/788499200.db2.gz HLWICQFHQIJPGR-LBPRGKRZSA-N 1 0 325.369 -2.393 20 30 EAEDRO C[C@@H]1CCn2ncc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)c2C1 ZINC001283824202 788498364 /nfs/dbraw/zinc/49/83/64/788498364.db2.gz KSVAOHZNNJZMEQ-NEPJUHHUSA-N 1 0 348.407 -1.215 20 30 EAEDRO C[C@H]1CCn2ncc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c2C1 ZINC001283824204 788499224 /nfs/dbraw/zinc/49/92/24/788499224.db2.gz KSVAOHZNNJZMEQ-NWDGAFQWSA-N 1 0 348.407 -1.215 20 30 EAEDRO C[C@H]1CCn2ncc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)c2C1 ZINC001283824206 788499097 /nfs/dbraw/zinc/49/90/97/788499097.db2.gz KSVAOHZNNJZMEQ-RYUDHWBXSA-N 1 0 348.407 -1.215 20 30 EAEDRO C[C@@H]1CCn2ncc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c2C1 ZINC001283824208 788499260 /nfs/dbraw/zinc/49/92/60/788499260.db2.gz KSVAOHZNNJZMEQ-VXGBXAGGSA-N 1 0 348.407 -1.215 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1ccc2c(c1)COC2 ZINC001283824556 788499073 /nfs/dbraw/zinc/49/90/73/788499073.db2.gz LXSIIEVMVRIIHJ-HNNXBMFYSA-N 1 0 346.387 -1.034 20 30 EAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1ccc2c(c1)COC2 ZINC001283824557 788498421 /nfs/dbraw/zinc/49/84/21/788498421.db2.gz LXSIIEVMVRIIHJ-OAHLLOKOSA-N 1 0 346.387 -1.034 20 30 EAEDRO C#Cc1ccccc1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283824747 788498695 /nfs/dbraw/zinc/49/86/95/788498695.db2.gz NDEDDYBEDBNQNC-HNNXBMFYSA-N 1 0 328.372 -1.083 20 30 EAEDRO C#Cc1ccccc1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283824750 788498501 /nfs/dbraw/zinc/49/85/01/788498501.db2.gz NDEDDYBEDBNQNC-OAHLLOKOSA-N 1 0 328.372 -1.083 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2nnn(C)c2c1 ZINC001283825150 788498408 /nfs/dbraw/zinc/49/84/08/788498408.db2.gz ODNRHQLOPRNEPU-GFCCVEGCSA-N 1 0 346.391 -1.049 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2nnn(C)c2c1 ZINC001283825151 788498429 /nfs/dbraw/zinc/49/84/29/788498429.db2.gz ODNRHQLOPRNEPU-LBPRGKRZSA-N 1 0 346.391 -1.049 20 30 EAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1nc2ncccn2n1 ZINC001283826907 788500501 /nfs/dbraw/zinc/50/05/01/788500501.db2.gz FDTQQTGOURYVSO-GFCCVEGCSA-N 1 0 332.364 -1.617 20 30 EAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1nc2ncccn2n1 ZINC001283826908 788500037 /nfs/dbraw/zinc/50/00/37/788500037.db2.gz FDTQQTGOURYVSO-LBPRGKRZSA-N 1 0 332.364 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1csc2nccn12 ZINC001283827085 788499622 /nfs/dbraw/zinc/49/96/22/788499622.db2.gz HDFAVEAZWGORIS-LLVKDONJSA-N 1 0 349.416 -1.246 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1csc2nccn12 ZINC001283827086 788499820 /nfs/dbraw/zinc/49/98/20/788499820.db2.gz HDFAVEAZWGORIS-NSHDSACASA-N 1 0 349.416 -1.246 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn2ccccc2=O)C1=O ZINC001283827228 788499950 /nfs/dbraw/zinc/49/99/50/788499950.db2.gz JGAHGSGZKTWTLX-KBPBESRZSA-N 1 0 348.403 -1.298 20 30 EAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2ccccc2=O)C1=O ZINC001283827230 788500948 /nfs/dbraw/zinc/50/09/48/788500948.db2.gz JGAHGSGZKTWTLX-KGLIPLIRSA-N 1 0 348.403 -1.298 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2ccccc2=O)C1=O ZINC001283827232 788500660 /nfs/dbraw/zinc/50/06/60/788500660.db2.gz JGAHGSGZKTWTLX-UONOGXRCSA-N 1 0 348.403 -1.298 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2ccccc2=O)C1=O ZINC001283827234 788499841 /nfs/dbraw/zinc/49/98/41/788499841.db2.gz JGAHGSGZKTWTLX-ZIAGYGMSSA-N 1 0 348.403 -1.298 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cncnc1CC ZINC001283827626 788499966 /nfs/dbraw/zinc/49/99/66/788499966.db2.gz ORCHGTMWNUQPFW-NEPJUHHUSA-N 1 0 333.392 -1.143 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cncnc1CC ZINC001283827627 788500145 /nfs/dbraw/zinc/50/01/45/788500145.db2.gz ORCHGTMWNUQPFW-NWDGAFQWSA-N 1 0 333.392 -1.143 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cncnc1CC ZINC001283827628 788500378 /nfs/dbraw/zinc/50/03/78/788500378.db2.gz ORCHGTMWNUQPFW-RYUDHWBXSA-N 1 0 333.392 -1.143 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cncnc1CC ZINC001283827629 788500093 /nfs/dbraw/zinc/50/00/93/788500093.db2.gz ORCHGTMWNUQPFW-VXGBXAGGSA-N 1 0 333.392 -1.143 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CN1CCCCCC1=O ZINC001283827770 788499607 /nfs/dbraw/zinc/49/96/07/788499607.db2.gz ROEQOTMORFXXLJ-CYBMUJFWSA-N 1 0 338.408 -1.795 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CN1CCCCCC1=O ZINC001283827771 788500716 /nfs/dbraw/zinc/50/07/16/788500716.db2.gz ROEQOTMORFXXLJ-ZDUSSCGKSA-N 1 0 338.408 -1.795 20 30 EAEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2C(=O)CNC2=O)cc1 ZINC001283827898 788500257 /nfs/dbraw/zinc/50/02/57/788500257.db2.gz USKMTNFQNQOMPB-CYBMUJFWSA-N 1 0 345.359 -1.323 20 30 EAEDRO N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)CN2C(=O)CNC2=O)cc1 ZINC001283827899 788500923 /nfs/dbraw/zinc/50/09/23/788500923.db2.gz USKMTNFQNQOMPB-ZDUSSCGKSA-N 1 0 345.359 -1.323 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N2CCN(CCNC(=O)C(N)=O)CC2)CC1 ZINC001283830153 788501295 /nfs/dbraw/zinc/50/12/95/788501295.db2.gz JTKQMYYYDFUELC-UHFFFAOYSA-N 1 0 349.435 -1.923 20 30 EAEDRO NC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)CC#Cc1ccccc1 ZINC001283830382 788503234 /nfs/dbraw/zinc/50/32/34/788503234.db2.gz BLYMIRBHZAFWON-CYBMUJFWSA-N 1 0 332.360 -1.310 20 30 EAEDRO NC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)CC#Cc1ccccc1 ZINC001283830384 788502776 /nfs/dbraw/zinc/50/27/76/788502776.db2.gz BLYMIRBHZAFWON-ZDUSSCGKSA-N 1 0 332.360 -1.310 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001283830853 788503504 /nfs/dbraw/zinc/50/35/04/788503504.db2.gz HFHIXZOPVREWEF-AAEUAGOBSA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001283830854 788503540 /nfs/dbraw/zinc/50/35/40/788503540.db2.gz HFHIXZOPVREWEF-DGCLKSJQSA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001283830855 788502679 /nfs/dbraw/zinc/50/26/79/788502679.db2.gz HFHIXZOPVREWEF-WCQYABFASA-N 1 0 335.408 -1.117 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001283830856 788502859 /nfs/dbraw/zinc/50/28/59/788502859.db2.gz HFHIXZOPVREWEF-YPMHNXCESA-N 1 0 335.408 -1.117 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c2ncccc12 ZINC001283831380 788503517 /nfs/dbraw/zinc/50/35/17/788503517.db2.gz KSPMCATYFSEBDR-CYBMUJFWSA-N 1 0 343.387 -1.079 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c2ncccc12 ZINC001283831386 788503726 /nfs/dbraw/zinc/50/37/26/788503726.db2.gz KSPMCATYFSEBDR-ZDUSSCGKSA-N 1 0 343.387 -1.079 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001283831849 788503249 /nfs/dbraw/zinc/50/32/49/788503249.db2.gz NOODWYVFNKAGBM-GHMZBOCLSA-N 1 0 337.380 -2.458 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001283831850 788503350 /nfs/dbraw/zinc/50/33/50/788503350.db2.gz NOODWYVFNKAGBM-MNOVXSKESA-N 1 0 337.380 -2.458 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001283831851 788503692 /nfs/dbraw/zinc/50/36/92/788503692.db2.gz NOODWYVFNKAGBM-QWRGUYRKSA-N 1 0 337.380 -2.458 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001283831852 788502734 /nfs/dbraw/zinc/50/27/34/788502734.db2.gz NOODWYVFNKAGBM-WDEREUQCSA-N 1 0 337.380 -2.458 20 30 EAEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NCC#N ZINC001283833009 788504256 /nfs/dbraw/zinc/50/42/56/788504256.db2.gz ZSDXZTIPVCXWKF-CHWSQXEVSA-N 1 0 325.413 -1.433 20 30 EAEDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NCC#N ZINC001283833010 788504548 /nfs/dbraw/zinc/50/45/48/788504548.db2.gz ZSDXZTIPVCXWKF-OLZOCXBDSA-N 1 0 325.413 -1.433 20 30 EAEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC#N ZINC001283833011 788504000 /nfs/dbraw/zinc/50/40/00/788504000.db2.gz ZSDXZTIPVCXWKF-QWHCGFSZSA-N 1 0 325.413 -1.433 20 30 EAEDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC#N ZINC001283833012 788504122 /nfs/dbraw/zinc/50/41/22/788504122.db2.gz ZSDXZTIPVCXWKF-STQMWFEESA-N 1 0 325.413 -1.433 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001283868198 788508823 /nfs/dbraw/zinc/50/88/23/788508823.db2.gz XZMUCOIHPRXRMT-NXEZZACHSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001283868200 788508379 /nfs/dbraw/zinc/50/83/79/788508379.db2.gz XZMUCOIHPRXRMT-VHSXEESVSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001283868442 788508864 /nfs/dbraw/zinc/50/88/64/788508864.db2.gz XZMUCOIHPRXRMT-ZJUUUORDSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1C ZINC001283879008 788510378 /nfs/dbraw/zinc/51/03/78/788510378.db2.gz AIPVQSQIVADQHS-NEPJUHHUSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001283879018 788510153 /nfs/dbraw/zinc/51/01/53/788510153.db2.gz AIPVQSQIVADQHS-NWDGAFQWSA-N 1 0 346.453 -1.193 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1C ZINC001283879022 788509466 /nfs/dbraw/zinc/50/94/66/788509466.db2.gz AIPVQSQIVADQHS-VXGBXAGGSA-N 1 0 346.453 -1.193 20 30 EAEDRO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001283880916 788510851 /nfs/dbraw/zinc/51/08/51/788510851.db2.gz JOKNRHNGKJBWEV-NEPJUHHUSA-N 1 0 339.396 -1.690 20 30 EAEDRO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001283880920 788510953 /nfs/dbraw/zinc/51/09/53/788510953.db2.gz JOKNRHNGKJBWEV-NWDGAFQWSA-N 1 0 339.396 -1.690 20 30 EAEDRO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001283880924 788511132 /nfs/dbraw/zinc/51/11/32/788511132.db2.gz JOKNRHNGKJBWEV-VXGBXAGGSA-N 1 0 339.396 -1.690 20 30 EAEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCOCC1=O ZINC001283882598 788510668 /nfs/dbraw/zinc/51/06/68/788510668.db2.gz WYJGYDRRWFUDNW-NEPJUHHUSA-N 1 0 337.380 -1.936 20 30 EAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCOCC1=O ZINC001283882599 788510657 /nfs/dbraw/zinc/51/06/57/788510657.db2.gz WYJGYDRRWFUDNW-NWDGAFQWSA-N 1 0 337.380 -1.936 20 30 EAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CN1CCOCC1=O ZINC001283882600 788511408 /nfs/dbraw/zinc/51/14/08/788511408.db2.gz WYJGYDRRWFUDNW-VXGBXAGGSA-N 1 0 337.380 -1.936 20 30 EAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001283884142 788511093 /nfs/dbraw/zinc/51/10/93/788511093.db2.gz HLHQBZVMRGPCTC-CMPLNLGQSA-N 1 0 342.421 -1.360 20 30 EAEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001283884144 788511553 /nfs/dbraw/zinc/51/15/53/788511553.db2.gz HLHQBZVMRGPCTC-PWSUYJOCSA-N 1 0 342.421 -1.360 20 30 EAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001283884146 788510872 /nfs/dbraw/zinc/51/08/72/788510872.db2.gz HLHQBZVMRGPCTC-ZYHUDNBSSA-N 1 0 342.421 -1.360 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001283962009 788516409 /nfs/dbraw/zinc/51/64/09/788516409.db2.gz BBQKOEDWDREKQL-NXEZZACHSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001283962012 788515754 /nfs/dbraw/zinc/51/57/54/788515754.db2.gz BBQKOEDWDREKQL-UWVGGRQHSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001283962014 788516766 /nfs/dbraw/zinc/51/67/66/788516766.db2.gz BBQKOEDWDREKQL-VHSXEESVSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001283962016 788516505 /nfs/dbraw/zinc/51/65/05/788516505.db2.gz BBQKOEDWDREKQL-ZJUUUORDSA-N 1 0 325.369 -1.547 20 30 EAEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001283968144 788518198 /nfs/dbraw/zinc/51/81/98/788518198.db2.gz ZWOBYKUIFMSCPI-CHWSQXEVSA-N 1 0 338.408 -1.274 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001283968151 788517427 /nfs/dbraw/zinc/51/74/27/788517427.db2.gz ZWOBYKUIFMSCPI-OLZOCXBDSA-N 1 0 338.408 -1.274 20 30 EAEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001283968153 788518147 /nfs/dbraw/zinc/51/81/47/788518147.db2.gz ZWOBYKUIFMSCPI-QWHCGFSZSA-N 1 0 338.408 -1.274 20 30 EAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC001283968155 788517800 /nfs/dbraw/zinc/51/78/00/788517800.db2.gz ZWOBYKUIFMSCPI-STQMWFEESA-N 1 0 338.408 -1.274 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001283986304 788517548 /nfs/dbraw/zinc/51/75/48/788517548.db2.gz LVMSZCKXNHNDIN-NEPJUHHUSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001283986305 788517238 /nfs/dbraw/zinc/51/72/38/788517238.db2.gz LVMSZCKXNHNDIN-NWDGAFQWSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001283986306 788517269 /nfs/dbraw/zinc/51/72/69/788517269.db2.gz LVMSZCKXNHNDIN-RYUDHWBXSA-N 1 0 346.453 -1.241 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001283986307 788517560 /nfs/dbraw/zinc/51/75/60/788517560.db2.gz LVMSZCKXNHNDIN-VXGBXAGGSA-N 1 0 346.453 -1.241 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001283994600 788519277 /nfs/dbraw/zinc/51/92/77/788519277.db2.gz GCSTZRLQDAPYQF-KBPBESRZSA-N 1 0 349.435 -1.911 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001283994601 788519112 /nfs/dbraw/zinc/51/91/12/788519112.db2.gz GCSTZRLQDAPYQF-KGLIPLIRSA-N 1 0 349.435 -1.911 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001283994602 788518986 /nfs/dbraw/zinc/51/89/86/788518986.db2.gz GCSTZRLQDAPYQF-UONOGXRCSA-N 1 0 349.435 -1.911 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001283994603 788519287 /nfs/dbraw/zinc/51/92/87/788519287.db2.gz GCSTZRLQDAPYQF-ZIAGYGMSSA-N 1 0 349.435 -1.911 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001283997271 788518747 /nfs/dbraw/zinc/51/87/47/788518747.db2.gz AFDMOZWPQUHWHN-NEPJUHHUSA-N 1 0 332.426 -1.731 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001283997273 788518814 /nfs/dbraw/zinc/51/88/14/788518814.db2.gz AFDMOZWPQUHWHN-NWDGAFQWSA-N 1 0 332.426 -1.731 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001283997275 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HFQXUSSGHPNPED-VXGBXAGGSA-N 1 0 346.453 -1.064 20 30 EAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCn1ncn(C)c1=O ZINC001284003148 788518538 /nfs/dbraw/zinc/51/85/38/788518538.db2.gz ZZOPNBSZNZRSQN-NEPJUHHUSA-N 1 0 349.395 -1.809 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCn1ncn(C)c1=O ZINC001284003149 788519410 /nfs/dbraw/zinc/51/94/10/788519410.db2.gz ZZOPNBSZNZRSQN-NWDGAFQWSA-N 1 0 349.395 -1.809 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCn1ncn(C)c1=O ZINC001284003150 788518503 /nfs/dbraw/zinc/51/85/03/788518503.db2.gz ZZOPNBSZNZRSQN-RYUDHWBXSA-N 1 0 349.395 -1.809 20 30 EAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCn1ncn(C)c1=O ZINC001284003151 788519251 /nfs/dbraw/zinc/51/92/51/788519251.db2.gz ZZOPNBSZNZRSQN-VXGBXAGGSA-N 1 0 349.395 -1.809 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001284012844 788519916 /nfs/dbraw/zinc/51/99/16/788519916.db2.gz FRQKFVBDDQSEOU-GXSJLCMTSA-N 1 0 335.364 -1.742 20 30 EAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001284012845 788519938 /nfs/dbraw/zinc/51/99/38/788519938.db2.gz FRQKFVBDDQSEOU-KOLCDFICSA-N 1 0 335.364 -1.742 20 30 EAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001284012846 788520242 /nfs/dbraw/zinc/52/02/42/788520242.db2.gz FRQKFVBDDQSEOU-MWLCHTKSSA-N 1 0 335.364 -1.742 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001284012847 788520614 /nfs/dbraw/zinc/52/06/14/788520614.db2.gz FRQKFVBDDQSEOU-ONGXEEELSA-N 1 0 335.364 -1.742 20 30 EAEDRO C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284023785 788521608 /nfs/dbraw/zinc/52/16/08/788521608.db2.gz QWJPEGCFSCGFLQ-ZDUSSCGKSA-N 1 0 332.404 -1.061 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001284025472 788521535 /nfs/dbraw/zinc/52/15/35/788521535.db2.gz LDWCVRUTTVLFEC-AAEUAGOBSA-N 1 0 348.407 -1.781 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001284025473 788521523 /nfs/dbraw/zinc/52/15/23/788521523.db2.gz LDWCVRUTTVLFEC-DGCLKSJQSA-N 1 0 348.407 -1.781 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001284025474 788522071 /nfs/dbraw/zinc/52/20/71/788522071.db2.gz LDWCVRUTTVLFEC-WCQYABFASA-N 1 0 348.407 -1.781 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001284025475 788521952 /nfs/dbraw/zinc/52/19/52/788521952.db2.gz LDWCVRUTTVLFEC-YPMHNXCESA-N 1 0 348.407 -1.781 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001284026016 788521290 /nfs/dbraw/zinc/52/12/90/788521290.db2.gz NYOIIUGYNXOKKQ-NEPJUHHUSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001284026017 788522166 /nfs/dbraw/zinc/52/21/66/788522166.db2.gz NYOIIUGYNXOKKQ-NWDGAFQWSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001284026018 788521266 /nfs/dbraw/zinc/52/12/66/788521266.db2.gz NYOIIUGYNXOKKQ-RYUDHWBXSA-N 1 0 331.376 -1.278 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001284026019 788521585 /nfs/dbraw/zinc/52/15/85/788521585.db2.gz NYOIIUGYNXOKKQ-VXGBXAGGSA-N 1 0 331.376 -1.278 20 30 EAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CN1C(=O)CNC1=O ZINC001284026217 788521701 /nfs/dbraw/zinc/52/17/01/788521701.db2.gz PISHEQLTNZSRKX-NXEZZACHSA-N 1 0 336.352 -2.243 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CN1C(=O)CNC1=O ZINC001284026227 788521686 /nfs/dbraw/zinc/52/16/86/788521686.db2.gz PISHEQLTNZSRKX-UWVGGRQHSA-N 1 0 336.352 -2.243 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CN1C(=O)CNC1=O ZINC001284026231 788522045 /nfs/dbraw/zinc/52/20/45/788522045.db2.gz PISHEQLTNZSRKX-VHSXEESVSA-N 1 0 336.352 -2.243 20 30 EAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CN1C(=O)CNC1=O ZINC001284026235 788521557 /nfs/dbraw/zinc/52/15/57/788521557.db2.gz PISHEQLTNZSRKX-ZJUUUORDSA-N 1 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C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cn(C)c(=O)n1C ZINC001284034622 788523504 /nfs/dbraw/zinc/52/35/04/788523504.db2.gz SKCWTOTVYIAXAA-MNOVXSKESA-N 1 0 334.380 -1.444 20 30 EAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cn(C)c(=O)n1C ZINC001284034623 788522454 /nfs/dbraw/zinc/52/24/54/788522454.db2.gz SKCWTOTVYIAXAA-QWRGUYRKSA-N 1 0 334.380 -1.444 20 30 EAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cn(C)c(=O)n1C ZINC001284034624 788522515 /nfs/dbraw/zinc/52/25/15/788522515.db2.gz SKCWTOTVYIAXAA-WDEREUQCSA-N 1 0 334.380 -1.444 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001284164997 788531139 /nfs/dbraw/zinc/53/11/39/788531139.db2.gz JITSTNDBDRGOAO-SFDCQRBFSA-N 1 0 347.419 -1.285 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001284165285 788531247 /nfs/dbraw/zinc/53/12/47/788531247.db2.gz PFKVSJZRRCROPN-KZVDOYCCSA-N 1 0 333.392 -1.675 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001284166632 788531211 /nfs/dbraw/zinc/53/12/11/788531211.db2.gz PBGSVDANTWQUBI-SFDCQRBFSA-N 1 0 347.419 -1.414 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001284181838 788534091 /nfs/dbraw/zinc/53/40/91/788534091.db2.gz YWUINMRNQWGNCX-CHWSQXEVSA-N 1 0 348.407 -1.099 20 30 EAEDRO COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001284181839 788533721 /nfs/dbraw/zinc/53/37/21/788533721.db2.gz YWUINMRNQWGNCX-OLZOCXBDSA-N 1 0 348.407 -1.099 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001284181840 788533324 /nfs/dbraw/zinc/53/33/24/788533324.db2.gz YWUINMRNQWGNCX-QWHCGFSZSA-N 1 0 348.407 -1.099 20 30 EAEDRO COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001284181841 788533966 /nfs/dbraw/zinc/53/39/66/788533966.db2.gz YWUINMRNQWGNCX-STQMWFEESA-N 1 0 348.407 -1.099 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001284193007 788533475 /nfs/dbraw/zinc/53/34/75/788533475.db2.gz DYWASULTTPFWBJ-KBPBESRZSA-N 1 0 349.435 -1.958 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001284193015 788533838 /nfs/dbraw/zinc/53/38/38/788533838.db2.gz DYWASULTTPFWBJ-KGLIPLIRSA-N 1 0 349.435 -1.958 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001284193017 788533390 /nfs/dbraw/zinc/53/33/90/788533390.db2.gz DYWASULTTPFWBJ-UONOGXRCSA-N 1 0 349.435 -1.958 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001284193019 788533872 /nfs/dbraw/zinc/53/38/72/788533872.db2.gz DYWASULTTPFWBJ-ZIAGYGMSSA-N 1 0 349.435 -1.958 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001284241051 788537188 /nfs/dbraw/zinc/53/71/88/788537188.db2.gz JKIFSFOAIBZJAS-NEPJUHHUSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001284241052 788537893 /nfs/dbraw/zinc/53/78/93/788537893.db2.gz JKIFSFOAIBZJAS-NWDGAFQWSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001284241053 788537813 /nfs/dbraw/zinc/53/78/13/788537813.db2.gz JKIFSFOAIBZJAS-RYUDHWBXSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001284241054 788537275 /nfs/dbraw/zinc/53/72/75/788537275.db2.gz JKIFSFOAIBZJAS-VXGBXAGGSA-N 1 0 349.391 -1.838 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)CS(C)(=O)=O)CC1(C)C ZINC001284258183 788537824 /nfs/dbraw/zinc/53/78/24/788537824.db2.gz GPWSEDBGPUJENC-NEPJUHHUSA-N 1 0 343.449 -1.005 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)CC1(C)C ZINC001284258187 788537866 /nfs/dbraw/zinc/53/78/66/788537866.db2.gz GPWSEDBGPUJENC-NWDGAFQWSA-N 1 0 343.449 -1.005 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)CS(C)(=O)=O)CC1(C)C ZINC001284258188 788536811 /nfs/dbraw/zinc/53/68/11/788536811.db2.gz GPWSEDBGPUJENC-RYUDHWBXSA-N 1 0 343.449 -1.005 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)CC1(C)C ZINC001284258190 788537917 /nfs/dbraw/zinc/53/79/17/788537917.db2.gz GPWSEDBGPUJENC-VXGBXAGGSA-N 1 0 343.449 -1.005 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)CNC(=O)NC)CC1 ZINC001284258483 788537779 /nfs/dbraw/zinc/53/77/79/788537779.db2.gz FVEFPGKNKRMPAO-GFCCVEGCSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)CNC(=O)NC)CC1 ZINC001284258484 788537316 /nfs/dbraw/zinc/53/73/16/788537316.db2.gz FVEFPGKNKRMPAO-LBPRGKRZSA-N 1 0 337.424 -1.119 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)Cn2ncnn2)CC1 ZINC001284260980 788538741 /nfs/dbraw/zinc/53/87/41/788538741.db2.gz NIZCAKWOQKVUTK-GFCCVEGCSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)Cn2ncnn2)CC1 ZINC001284260983 788538654 /nfs/dbraw/zinc/53/86/54/788538654.db2.gz NIZCAKWOQKVUTK-LBPRGKRZSA-N 1 0 333.396 -1.361 20 30 EAEDRO CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001284313513 788544816 /nfs/dbraw/zinc/54/48/16/788544816.db2.gz QNFTXOCUGZHAIN-LLVKDONJSA-N 1 0 332.364 -1.150 20 30 EAEDRO CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001284313514 788545132 /nfs/dbraw/zinc/54/51/32/788545132.db2.gz QNFTXOCUGZHAIN-NSHDSACASA-N 1 0 332.364 -1.150 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cnnn2)CC1(C)C ZINC001284333547 788545888 /nfs/dbraw/zinc/54/58/88/788545888.db2.gz WBYNLJJAIJTIID-GFCCVEGCSA-N 1 0 333.396 -1.361 20 30 EAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCn2cnnn2)CC1(C)C ZINC001284333548 788546584 /nfs/dbraw/zinc/54/65/84/788546584.db2.gz WBYNLJJAIJTIID-LBPRGKRZSA-N 1 0 333.396 -1.361 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C ZINC001284346834 788547296 /nfs/dbraw/zinc/54/72/96/788547296.db2.gz BXRNQLWTMHUKCR-LLVKDONJSA-N 1 0 346.453 -1.336 20 30 EAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C ZINC001284346837 788547599 /nfs/dbraw/zinc/54/75/99/788547599.db2.gz BXRNQLWTMHUKCR-NSHDSACASA-N 1 0 346.453 -1.336 20 30 EAEDRO Cn1nc(C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)ccc1=O ZINC001284347961 788547151 /nfs/dbraw/zinc/54/71/51/788547151.db2.gz QMSXEFSAHQNMEA-GFCCVEGCSA-N 1 0 346.391 -1.140 20 30 EAEDRO Cn1nc(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)ccc1=O ZINC001284347970 788547025 /nfs/dbraw/zinc/54/70/25/788547025.db2.gz QMSXEFSAHQNMEA-LBPRGKRZSA-N 1 0 346.391 -1.140 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001284379085 788551071 /nfs/dbraw/zinc/55/10/71/788551071.db2.gz HJMBBYLETNONHY-GXTWGEPZSA-N 1 0 334.376 -1.520 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001284379086 788551604 /nfs/dbraw/zinc/55/16/04/788551604.db2.gz HJMBBYLETNONHY-JSGCOSHPSA-N 1 0 334.376 -1.520 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001284379088 788551011 /nfs/dbraw/zinc/55/10/11/788551011.db2.gz HJMBBYLETNONHY-OCCSQVGLSA-N 1 0 334.376 -1.520 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001284379090 788551102 /nfs/dbraw/zinc/55/11/02/788551102.db2.gz HJMBBYLETNONHY-TZMCWYRMSA-N 1 0 334.376 -1.520 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001284384497 788551670 /nfs/dbraw/zinc/55/16/70/788551670.db2.gz CACYDYKVRYHKMZ-NXEZZACHSA-N 1 0 325.394 -1.302 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001284384498 788551150 /nfs/dbraw/zinc/55/11/50/788551150.db2.gz CACYDYKVRYHKMZ-UWVGGRQHSA-N 1 0 325.394 -1.302 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001284384500 788551179 /nfs/dbraw/zinc/55/11/79/788551179.db2.gz CACYDYKVRYHKMZ-VHSXEESVSA-N 1 0 325.394 -1.302 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001284384502 788551479 /nfs/dbraw/zinc/55/14/79/788551479.db2.gz CACYDYKVRYHKMZ-ZJUUUORDSA-N 1 0 325.394 -1.302 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001284388247 788552892 /nfs/dbraw/zinc/55/28/92/788552892.db2.gz ONGRTALHXFUACZ-GXTWGEPZSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001284388251 788553237 /nfs/dbraw/zinc/55/32/37/788553237.db2.gz ONGRTALHXFUACZ-JSGCOSHPSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001284388253 788553036 /nfs/dbraw/zinc/55/30/36/788553036.db2.gz ONGRTALHXFUACZ-OCCSQVGLSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001284388255 788552818 /nfs/dbraw/zinc/55/28/18/788552818.db2.gz ONGRTALHXFUACZ-TZMCWYRMSA-N 1 0 335.408 -1.491 20 30 EAEDRO C=CCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001284389946 788553255 /nfs/dbraw/zinc/55/32/55/788553255.db2.gz SWZVJUVUURAUHC-CYBMUJFWSA-N 1 0 338.408 -1.041 20 30 EAEDRO C=CCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001284389948 788553199 /nfs/dbraw/zinc/55/31/99/788553199.db2.gz SWZVJUVUURAUHC-ZDUSSCGKSA-N 1 0 338.408 -1.041 20 30 EAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001284397298 788552397 /nfs/dbraw/zinc/55/23/97/788552397.db2.gz CDSUZQIEEPXHKS-NEPJUHHUSA-N 1 0 326.397 -1.101 20 30 EAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C ZINC001284397302 788552760 /nfs/dbraw/zinc/55/27/60/788552760.db2.gz CDSUZQIEEPXHKS-NWDGAFQWSA-N 1 0 326.397 -1.101 20 30 EAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001284397304 788553005 /nfs/dbraw/zinc/55/30/05/788553005.db2.gz CDSUZQIEEPXHKS-RYUDHWBXSA-N 1 0 326.397 -1.101 20 30 EAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C ZINC001284397305 788553049 /nfs/dbraw/zinc/55/30/49/788553049.db2.gz CDSUZQIEEPXHKS-VXGBXAGGSA-N 1 0 326.397 -1.101 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001284399845 788554575 /nfs/dbraw/zinc/55/45/75/788554575.db2.gz JCNHVIVFPNZVNI-BXUZGUMPSA-N 1 0 338.408 -1.989 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001284399846 788554227 /nfs/dbraw/zinc/55/42/27/788554227.db2.gz JCNHVIVFPNZVNI-FZMZJTMJSA-N 1 0 338.408 -1.989 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001284399847 788554539 /nfs/dbraw/zinc/55/45/39/788554539.db2.gz JCNHVIVFPNZVNI-RISCZKNCSA-N 1 0 338.408 -1.989 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001284399848 788553779 /nfs/dbraw/zinc/55/37/79/788553779.db2.gz JCNHVIVFPNZVNI-SMDDNHRTSA-N 1 0 338.408 -1.989 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001284400607 788553714 /nfs/dbraw/zinc/55/37/14/788553714.db2.gz NMEHIHQDVKWNDF-GFCCVEGCSA-N 1 0 328.394 -1.047 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001284400610 788554700 /nfs/dbraw/zinc/55/47/00/788554700.db2.gz NMEHIHQDVKWNDF-LBPRGKRZSA-N 1 0 328.394 -1.047 20 30 EAEDRO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001284404130 788553729 /nfs/dbraw/zinc/55/37/29/788553729.db2.gz WFFPBJJIRQUASZ-GFCCVEGCSA-N 1 0 325.369 -2.487 20 30 EAEDRO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001284404134 788554410 /nfs/dbraw/zinc/55/44/10/788554410.db2.gz WFFPBJJIRQUASZ-LBPRGKRZSA-N 1 0 325.369 -2.487 20 30 EAEDRO CN(C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C#CC1CC1 ZINC001284405024 788554405 /nfs/dbraw/zinc/55/44/05/788554405.db2.gz ZMIMMGUBBPKILQ-CABCVRRESA-N 1 0 337.420 -1.208 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C#CC1CC1 ZINC001284405026 788553940 /nfs/dbraw/zinc/55/39/40/788553940.db2.gz ZMIMMGUBBPKILQ-GJZGRUSLSA-N 1 0 337.420 -1.208 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001284415077 788555734 /nfs/dbraw/zinc/55/57/34/788555734.db2.gz AVFPBPXVZRHSEY-LLVKDONJSA-N 1 0 347.379 -1.551 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001284415078 788555648 /nfs/dbraw/zinc/55/56/48/788555648.db2.gz AVFPBPXVZRHSEY-NSHDSACASA-N 1 0 347.379 -1.551 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415508 788555965 /nfs/dbraw/zinc/55/59/65/788555965.db2.gz GAODXGAHUGSTCM-GHMZBOCLSA-N 1 0 327.385 -2.538 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415514 788555718 /nfs/dbraw/zinc/55/57/18/788555718.db2.gz GAODXGAHUGSTCM-MNOVXSKESA-N 1 0 327.385 -2.538 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415517 788555269 /nfs/dbraw/zinc/55/52/69/788555269.db2.gz GAODXGAHUGSTCM-QWRGUYRKSA-N 1 0 327.385 -2.538 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415520 788555047 /nfs/dbraw/zinc/55/50/47/788555047.db2.gz GAODXGAHUGSTCM-WDEREUQCSA-N 1 0 327.385 -2.538 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1C ZINC001284415725 788555924 /nfs/dbraw/zinc/55/59/24/788555924.db2.gz IASPUGKJGSXBKU-AWEZNQCLSA-N 1 0 335.408 -1.571 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1C ZINC001284415726 788555489 /nfs/dbraw/zinc/55/54/89/788555489.db2.gz IASPUGKJGSXBKU-CQSZACIVSA-N 1 0 335.408 -1.571 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001284416214 788555984 /nfs/dbraw/zinc/55/59/84/788555984.db2.gz LJTDSLZAMCMIOI-GFCCVEGCSA-N 1 0 340.380 -2.997 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001284416215 788556113 /nfs/dbraw/zinc/55/61/13/788556113.db2.gz LJTDSLZAMCMIOI-LBPRGKRZSA-N 1 0 340.380 -2.997 20 30 EAEDRO Cc1c(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001284416301 788555388 /nfs/dbraw/zinc/55/53/88/788555388.db2.gz MDVQOFUOAGFOBR-CYBMUJFWSA-N 1 0 336.396 -1.680 20 30 EAEDRO Cc1c(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001284416305 788555568 /nfs/dbraw/zinc/55/55/68/788555568.db2.gz MDVQOFUOAGFOBR-ZDUSSCGKSA-N 1 0 336.396 -1.680 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001284416767 788556143 /nfs/dbraw/zinc/55/61/43/788556143.db2.gz PJQOXEVILWOALQ-GFCCVEGCSA-N 1 0 333.392 -1.399 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001284416768 788556202 /nfs/dbraw/zinc/55/62/02/788556202.db2.gz PJQOXEVILWOALQ-LBPRGKRZSA-N 1 0 333.392 -1.399 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn(C2CCC2)nn1 ZINC001284416924 788555601 /nfs/dbraw/zinc/55/56/01/788555601.db2.gz LLAUSOPJVPTNHH-GFCCVEGCSA-N 1 0 349.395 -1.335 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn(C2CCC2)nn1 ZINC001284416925 788555000 /nfs/dbraw/zinc/55/50/00/788555000.db2.gz LLAUSOPJVPTNHH-LBPRGKRZSA-N 1 0 349.395 -1.335 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn2c1CCC2 ZINC001284417131 788554979 /nfs/dbraw/zinc/55/49/79/788554979.db2.gz SVNARDFESFLOHY-LLVKDONJSA-N 1 0 334.380 -1.508 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn2c1CCC2 ZINC001284417132 788555844 /nfs/dbraw/zinc/55/58/44/788555844.db2.gz SVNARDFESFLOHY-NSHDSACASA-N 1 0 334.380 -1.508 20 30 EAEDRO Cc1cnccc1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001284417753 788555345 /nfs/dbraw/zinc/55/53/45/788555345.db2.gz PHWSICOEMOOUEB-AWEZNQCLSA-N 1 0 333.392 -1.019 20 30 EAEDRO Cc1cnccc1CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001284417754 788555095 /nfs/dbraw/zinc/55/50/95/788555095.db2.gz PHWSICOEMOOUEB-CQSZACIVSA-N 1 0 333.392 -1.019 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001284425196 788557274 /nfs/dbraw/zinc/55/72/74/788557274.db2.gz NSBWGUPXGGRYAE-GXTWGEPZSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001284425197 788556593 /nfs/dbraw/zinc/55/65/93/788556593.db2.gz NSBWGUPXGGRYAE-JSGCOSHPSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001284425198 788557159 /nfs/dbraw/zinc/55/71/59/788557159.db2.gz NSBWGUPXGGRYAE-OCCSQVGLSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001284425199 788557105 /nfs/dbraw/zinc/55/71/05/788557105.db2.gz NSBWGUPXGGRYAE-TZMCWYRMSA-N 1 0 348.403 -1.454 20 30 EAEDRO Cc1cc(=O)c(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)cn1C ZINC001284426158 788556826 /nfs/dbraw/zinc/55/68/26/788556826.db2.gz ZZSWWGHCBLORTO-GFCCVEGCSA-N 1 0 349.391 -1.644 20 30 EAEDRO Cc1cc(=O)c(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)cn1C ZINC001284426159 788557498 /nfs/dbraw/zinc/55/74/98/788557498.db2.gz ZZSWWGHCBLORTO-LBPRGKRZSA-N 1 0 349.391 -1.644 20 30 EAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001284427564 785518626 /nfs/dbraw/zinc/51/86/26/785518626.db2.gz ACLVMPJSKFOKKD-LLVKDONJSA-N 1 0 329.378 -1.027 20 30 EAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001284427565 785518496 /nfs/dbraw/zinc/51/84/96/785518496.db2.gz ACLVMPJSKFOKKD-NSHDSACASA-N 1 0 329.378 -1.027 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001284428710 788557375 /nfs/dbraw/zinc/55/73/75/788557375.db2.gz HXPVDFHFGTYPGU-CYBMUJFWSA-N 1 0 332.422 -1.520 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001284428763 788557118 /nfs/dbraw/zinc/55/71/18/788557118.db2.gz HXPVDFHFGTYPGU-ZDUSSCGKSA-N 1 0 332.422 -1.520 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnc2ccccn21 ZINC001284429855 788556842 /nfs/dbraw/zinc/55/68/42/788556842.db2.gz NPAUYXAHXOEFNM-GFCCVEGCSA-N 1 0 344.375 -1.003 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnc2ccccn21 ZINC001284429863 788557691 /nfs/dbraw/zinc/55/76/91/788557691.db2.gz NPAUYXAHXOEFNM-LBPRGKRZSA-N 1 0 344.375 -1.003 20 30 EAEDRO COc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001284430332 788557722 /nfs/dbraw/zinc/55/77/22/788557722.db2.gz QKCDTUUBCWAVFU-JTQLQIEISA-N 1 0 338.368 -1.909 20 30 EAEDRO COc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001284430333 788557429 /nfs/dbraw/zinc/55/74/29/788557429.db2.gz QKCDTUUBCWAVFU-SNVBAGLBSA-N 1 0 338.368 -1.909 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284430497 788556705 /nfs/dbraw/zinc/55/67/05/788556705.db2.gz RTRBHOMBYACWAG-GHMZBOCLSA-N 1 0 325.369 -2.439 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284430498 788557286 /nfs/dbraw/zinc/55/72/86/788557286.db2.gz RTRBHOMBYACWAG-MNOVXSKESA-N 1 0 325.369 -2.439 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC(=O)NC1 ZINC001284430499 788557027 /nfs/dbraw/zinc/55/70/27/788557027.db2.gz RTRBHOMBYACWAG-QWRGUYRKSA-N 1 0 325.369 -2.439 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC(=O)NC1 ZINC001284430500 788556907 /nfs/dbraw/zinc/55/69/07/788556907.db2.gz RTRBHOMBYACWAG-WDEREUQCSA-N 1 0 325.369 -2.439 20 30 EAEDRO CN(C)c1ccc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)cn1 ZINC001284430546 788556979 /nfs/dbraw/zinc/55/69/79/788556979.db2.gz SOOXSJQXPJDGBD-CYBMUJFWSA-N 1 0 348.407 -1.190 20 30 EAEDRO CN(C)c1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)cn1 ZINC001284430547 788557544 /nfs/dbraw/zinc/55/75/44/788557544.db2.gz SOOXSJQXPJDGBD-ZDUSSCGKSA-N 1 0 348.407 -1.190 20 30 EAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001284430898 785519360 /nfs/dbraw/zinc/51/93/60/785519360.db2.gz XZIXGFBXGHRADT-JTQLQIEISA-N 1 0 329.378 -1.027 20 30 EAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001284430899 785520242 /nfs/dbraw/zinc/52/02/42/785520242.db2.gz XZIXGFBXGHRADT-SNVBAGLBSA-N 1 0 329.378 -1.027 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001284431377 788557573 /nfs/dbraw/zinc/55/75/73/788557573.db2.gz FCMKDBMJIPBZRA-KNCOVGOOSA-N 1 0 337.420 -1.040 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001284431379 788557593 /nfs/dbraw/zinc/55/75/93/788557593.db2.gz FCMKDBMJIPBZRA-RZLSGREXSA-N 1 0 337.420 -1.040 20 30 EAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001284433442 788558028 /nfs/dbraw/zinc/55/80/28/788558028.db2.gz XNVZHYUDNYUSDT-OAGGEKHMSA-N 1 0 339.436 -1.092 20 30 EAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001284433443 788557983 /nfs/dbraw/zinc/55/79/83/788557983.db2.gz XNVZHYUDNYUSDT-XHSDSOJGSA-N 1 0 339.436 -1.092 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnc(Cl)n1C ZINC001284433498 788557971 /nfs/dbraw/zinc/55/79/71/788557971.db2.gz YRRRYUPMOSZZNF-SECBINFHSA-N 1 0 342.787 -1.264 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnc(Cl)n1C ZINC001284433499 788559150 /nfs/dbraw/zinc/55/91/50/788559150.db2.gz YRRRYUPMOSZZNF-VIFPVBQESA-N 1 0 342.787 -1.264 20 30 EAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001284433526 788558431 /nfs/dbraw/zinc/55/84/31/788558431.db2.gz ZMGLZDAWKHBRBA-MNOVXSKESA-N 1 0 333.410 -2.115 20 30 EAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001284433527 788558795 /nfs/dbraw/zinc/55/87/95/788558795.db2.gz ZMGLZDAWKHBRBA-QWRGUYRKSA-N 1 0 333.410 -2.115 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)C1=O ZINC001284435687 788558414 /nfs/dbraw/zinc/55/84/14/788558414.db2.gz KECWABYVRPNJGP-GHMZBOCLSA-N 1 0 337.384 -1.981 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)C1=O ZINC001284435688 788558309 /nfs/dbraw/zinc/55/83/09/788558309.db2.gz KECWABYVRPNJGP-MNOVXSKESA-N 1 0 337.384 -1.981 20 30 EAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)C1=O ZINC001284435689 788558615 /nfs/dbraw/zinc/55/86/15/788558615.db2.gz KECWABYVRPNJGP-QWRGUYRKSA-N 1 0 337.384 -1.981 20 30 EAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)C1=O ZINC001284435690 788558161 /nfs/dbraw/zinc/55/81/61/788558161.db2.gz KECWABYVRPNJGP-WDEREUQCSA-N 1 0 337.384 -1.981 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001284436945 788558130 /nfs/dbraw/zinc/55/81/30/788558130.db2.gz VPYRJHHHGHBNOF-ABAIWWIYSA-N 1 0 339.396 -2.049 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001284436947 788558331 /nfs/dbraw/zinc/55/83/31/788558331.db2.gz VPYRJHHHGHBNOF-IAQYHMDHSA-N 1 0 339.396 -2.049 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001284436951 788558889 /nfs/dbraw/zinc/55/88/89/788558889.db2.gz VPYRJHHHGHBNOF-NHYWBVRUSA-N 1 0 339.396 -2.049 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001284436955 788558690 /nfs/dbraw/zinc/55/86/90/788558690.db2.gz VPYRJHHHGHBNOF-XHDPSFHLSA-N 1 0 339.396 -2.049 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001284437965 788558726 /nfs/dbraw/zinc/55/87/26/788558726.db2.gz BJCGTTWSFPFUHK-GFCCVEGCSA-N 1 0 339.396 -3.424 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001284437966 788559053 /nfs/dbraw/zinc/55/90/53/788559053.db2.gz BJCGTTWSFPFUHK-LBPRGKRZSA-N 1 0 339.396 -3.424 20 30 EAEDRO COc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001284438009 788559204 /nfs/dbraw/zinc/55/92/04/788559204.db2.gz CAKIXKMNJDLCHU-JTQLQIEISA-N 1 0 338.368 -1.909 20 30 EAEDRO COc1nn(C)cc1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001284438010 788558080 /nfs/dbraw/zinc/55/80/80/788558080.db2.gz CAKIXKMNJDLCHU-SNVBAGLBSA-N 1 0 338.368 -1.909 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn2cccnc12 ZINC001284438805 788558573 /nfs/dbraw/zinc/55/85/73/788558573.db2.gz TVHIOGKNXFJUAE-LLVKDONJSA-N 1 0 345.363 -1.608 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn2cccnc12 ZINC001284438806 788558952 /nfs/dbraw/zinc/55/89/52/788558952.db2.gz TVHIOGKNXFJUAE-NSHDSACASA-N 1 0 345.363 -1.608 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284439011 788558521 /nfs/dbraw/zinc/55/85/21/788558521.db2.gz XJGMJKULBGMKCH-GHMZBOCLSA-N 1 0 327.385 -2.279 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284439012 788558537 /nfs/dbraw/zinc/55/85/37/788558537.db2.gz XJGMJKULBGMKCH-MNOVXSKESA-N 1 0 327.385 -2.279 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284439013 788559033 /nfs/dbraw/zinc/55/90/33/788559033.db2.gz XJGMJKULBGMKCH-QWRGUYRKSA-N 1 0 327.385 -2.279 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284439014 788559002 /nfs/dbraw/zinc/55/90/02/788559002.db2.gz XJGMJKULBGMKCH-WDEREUQCSA-N 1 0 327.385 -2.279 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001284443167 788559551 /nfs/dbraw/zinc/55/95/51/788559551.db2.gz AUYDBQAKHUYVEB-NEPJUHHUSA-N 1 0 348.407 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001284443168 788560196 /nfs/dbraw/zinc/56/01/96/788560196.db2.gz AUYDBQAKHUYVEB-NWDGAFQWSA-N 1 0 348.407 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001284443169 788560665 /nfs/dbraw/zinc/56/06/65/788560665.db2.gz AUYDBQAKHUYVEB-RYUDHWBXSA-N 1 0 348.407 -1.617 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001284443170 788560459 /nfs/dbraw/zinc/56/04/59/788560459.db2.gz AUYDBQAKHUYVEB-VXGBXAGGSA-N 1 0 348.407 -1.617 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284445078 788560593 /nfs/dbraw/zinc/56/05/93/788560593.db2.gz PIKVFVRUKDAXQO-GHMZBOCLSA-N 1 0 337.380 -1.517 20 30 EAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284445079 788560861 /nfs/dbraw/zinc/56/08/61/788560861.db2.gz PIKVFVRUKDAXQO-MNOVXSKESA-N 1 0 337.380 -1.517 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284445080 788560726 /nfs/dbraw/zinc/56/07/26/788560726.db2.gz PIKVFVRUKDAXQO-QWRGUYRKSA-N 1 0 337.380 -1.517 20 30 EAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284445081 788560893 /nfs/dbraw/zinc/56/08/93/788560893.db2.gz PIKVFVRUKDAXQO-WDEREUQCSA-N 1 0 337.380 -1.517 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001284446315 788559906 /nfs/dbraw/zinc/55/99/06/788559906.db2.gz FLKUGCIVLLLIHL-MNOVXSKESA-N 1 0 326.353 -2.357 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001284446316 788559947 /nfs/dbraw/zinc/55/99/47/788559947.db2.gz FLKUGCIVLLLIHL-QWRGUYRKSA-N 1 0 326.353 -2.357 20 30 EAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001284446525 785521543 /nfs/dbraw/zinc/52/15/43/785521543.db2.gz JYCYXJPGNCTKAX-JTQLQIEISA-N 1 0 326.353 -1.608 20 30 EAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001284446526 785520849 /nfs/dbraw/zinc/52/08/49/785520849.db2.gz JYCYXJPGNCTKAX-SNVBAGLBSA-N 1 0 326.353 -1.608 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001284446807 788560871 /nfs/dbraw/zinc/56/08/71/788560871.db2.gz PHTRCBUWWDKYMC-CYBMUJFWSA-N 1 0 338.412 -1.145 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001284446809 788560843 /nfs/dbraw/zinc/56/08/43/788560843.db2.gz PHTRCBUWWDKYMC-ZDUSSCGKSA-N 1 0 338.412 -1.145 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001284448613 788561986 /nfs/dbraw/zinc/56/19/86/788561986.db2.gz PRQWSOPFZBQINT-GFCCVEGCSA-N 1 0 336.392 -1.290 20 30 EAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001284448614 788561275 /nfs/dbraw/zinc/56/12/75/788561275.db2.gz PRQWSOPFZBQINT-LBPRGKRZSA-N 1 0 336.392 -1.290 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001284448779 788561489 /nfs/dbraw/zinc/56/14/89/788561489.db2.gz SWFVOAZJTXMOHC-BFHYXJOUSA-N 1 0 347.419 -1.318 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001284448780 788562166 /nfs/dbraw/zinc/56/21/66/788562166.db2.gz SWFVOAZJTXMOHC-MGPQQGTHSA-N 1 0 347.419 -1.318 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001284455041 788561345 /nfs/dbraw/zinc/56/13/45/788561345.db2.gz BLLSPCCAZNEGGF-GXTWGEPZSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001284455045 788561713 /nfs/dbraw/zinc/56/17/13/788561713.db2.gz BLLSPCCAZNEGGF-JSGCOSHPSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001284455046 788561590 /nfs/dbraw/zinc/56/15/90/788561590.db2.gz BLLSPCCAZNEGGF-OCCSQVGLSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001284455048 788561621 /nfs/dbraw/zinc/56/16/21/788561621.db2.gz BLLSPCCAZNEGGF-TZMCWYRMSA-N 1 0 335.408 -1.491 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001284455418 788562386 /nfs/dbraw/zinc/56/23/86/788562386.db2.gz DPJARNQTZMMSJQ-NEPJUHHUSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001284455420 788561119 /nfs/dbraw/zinc/56/11/19/788561119.db2.gz DPJARNQTZMMSJQ-NWDGAFQWSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001284455422 788561563 /nfs/dbraw/zinc/56/15/63/788561563.db2.gz DPJARNQTZMMSJQ-RYUDHWBXSA-N 1 0 349.391 -1.354 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(OC)nn1 ZINC001284455424 788562273 /nfs/dbraw/zinc/56/22/73/788562273.db2.gz DPJARNQTZMMSJQ-VXGBXAGGSA-N 1 0 349.391 -1.354 20 30 EAEDRO COc1c(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001284455458 788561647 /nfs/dbraw/zinc/56/16/47/788561647.db2.gz DSPMGSYJCQBXKQ-JTQLQIEISA-N 1 0 338.368 -1.909 20 30 EAEDRO COc1c(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)cnn1C ZINC001284455460 788562520 /nfs/dbraw/zinc/56/25/20/788562520.db2.gz DSPMGSYJCQBXKQ-SNVBAGLBSA-N 1 0 338.368 -1.909 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284455823 788561929 /nfs/dbraw/zinc/56/19/29/788561929.db2.gz GOQHKDOLCCZCRS-CHWSQXEVSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284455824 788562356 /nfs/dbraw/zinc/56/23/56/788562356.db2.gz GOQHKDOLCCZCRS-OLZOCXBDSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284455825 788561424 /nfs/dbraw/zinc/56/14/24/788561424.db2.gz GOQHKDOLCCZCRS-QWHCGFSZSA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284455826 788562503 /nfs/dbraw/zinc/56/25/03/788562503.db2.gz GOQHKDOLCCZCRS-STQMWFEESA-N 1 0 348.403 -1.454 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284456133 788561737 /nfs/dbraw/zinc/56/17/37/788561737.db2.gz IZCFZSGOXNBNJL-GFCCVEGCSA-N 1 0 334.376 -1.843 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001284456134 788561317 /nfs/dbraw/zinc/56/13/17/788561317.db2.gz IZCFZSGOXNBNJL-LBPRGKRZSA-N 1 0 334.376 -1.843 20 30 EAEDRO C#Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O)nc1 ZINC001284456343 788561405 /nfs/dbraw/zinc/56/14/05/788561405.db2.gz KLIVABYKCXIHBP-LLVKDONJSA-N 1 0 333.348 -1.720 20 30 EAEDRO C#Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)nc1 ZINC001284456344 788561828 /nfs/dbraw/zinc/56/18/28/788561828.db2.gz KLIVABYKCXIHBP-NSHDSACASA-N 1 0 333.348 -1.720 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#C)nc1 ZINC001284457309 788563993 /nfs/dbraw/zinc/56/39/93/788563993.db2.gz TVXJIRSSDCFJAR-HNNXBMFYSA-N 1 0 328.372 -1.165 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#C)nc1 ZINC001284457310 788562812 /nfs/dbraw/zinc/56/28/12/788562812.db2.gz TVXJIRSSDCFJAR-OAHLLOKOSA-N 1 0 328.372 -1.165 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cccn(C)c1=O ZINC001284457595 788563794 /nfs/dbraw/zinc/56/37/94/788563794.db2.gz VMCZDOFDTCHQKV-LLVKDONJSA-N 1 0 335.364 -1.952 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cccn(C)c1=O ZINC001284457596 788563058 /nfs/dbraw/zinc/56/30/58/788563058.db2.gz VMCZDOFDTCHQKV-NSHDSACASA-N 1 0 335.364 -1.952 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C(F)F)c1 ZINC001284459541 788562862 /nfs/dbraw/zinc/56/28/62/788562862.db2.gz FKLPQPYGBJHBMR-JTQLQIEISA-N 1 0 344.322 -1.060 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C(F)F)c1 ZINC001284459542 788563702 /nfs/dbraw/zinc/56/37/02/788563702.db2.gz FKLPQPYGBJHBMR-SNVBAGLBSA-N 1 0 344.322 -1.060 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001284466850 788565686 /nfs/dbraw/zinc/56/56/86/788565686.db2.gz GGIIBPSCPLMULN-LLVKDONJSA-N 1 0 326.353 -2.403 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001284466851 788564620 /nfs/dbraw/zinc/56/46/20/788564620.db2.gz GGIIBPSCPLMULN-NSHDSACASA-N 1 0 326.353 -2.403 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001284469313 788565256 /nfs/dbraw/zinc/56/52/56/788565256.db2.gz PYLWAQUTPHBRBI-GXTWGEPZSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001284469316 788565042 /nfs/dbraw/zinc/56/50/42/788565042.db2.gz PYLWAQUTPHBRBI-JSGCOSHPSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001284469319 788564713 /nfs/dbraw/zinc/56/47/13/788564713.db2.gz PYLWAQUTPHBRBI-OCCSQVGLSA-N 1 0 335.408 -1.262 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001284469322 788564515 /nfs/dbraw/zinc/56/45/15/788564515.db2.gz PYLWAQUTPHBRBI-TZMCWYRMSA-N 1 0 335.408 -1.262 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCc2nncn2C1 ZINC001284470086 788565550 /nfs/dbraw/zinc/56/55/50/788565550.db2.gz UAMQLQOCVPGBLH-NEPJUHHUSA-N 1 0 349.395 -2.111 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCc2nncn2C1 ZINC001284470094 788564734 /nfs/dbraw/zinc/56/47/34/788564734.db2.gz UAMQLQOCVPGBLH-NWDGAFQWSA-N 1 0 349.395 -2.111 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCc2nncn2C1 ZINC001284470097 788565025 /nfs/dbraw/zinc/56/50/25/788565025.db2.gz UAMQLQOCVPGBLH-RYUDHWBXSA-N 1 0 349.395 -2.111 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCc2nncn2C1 ZINC001284470099 788565349 /nfs/dbraw/zinc/56/53/49/788565349.db2.gz UAMQLQOCVPGBLH-VXGBXAGGSA-N 1 0 349.395 -2.111 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CCCOC1 ZINC001284470501 788565101 /nfs/dbraw/zinc/56/51/01/788565101.db2.gz VRODEXGEDSCDNE-CHWSQXEVSA-N 1 0 326.397 -1.148 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CCCOC1 ZINC001284470502 788565234 /nfs/dbraw/zinc/56/52/34/788565234.db2.gz VRODEXGEDSCDNE-OLZOCXBDSA-N 1 0 326.397 -1.148 20 30 EAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CCCOC1 ZINC001284470503 788564990 /nfs/dbraw/zinc/56/49/90/788564990.db2.gz VRODEXGEDSCDNE-QWHCGFSZSA-N 1 0 326.397 -1.148 20 30 EAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CCCOC1 ZINC001284470504 788564923 /nfs/dbraw/zinc/56/49/23/788564923.db2.gz VRODEXGEDSCDNE-STQMWFEESA-N 1 0 326.397 -1.148 20 30 EAEDRO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001284476581 788565648 /nfs/dbraw/zinc/56/56/48/788565648.db2.gz ITPNSKDBRNYHQL-GFCCVEGCSA-N 1 0 336.396 -1.355 20 30 EAEDRO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)nn1C ZINC001284476582 788565309 /nfs/dbraw/zinc/56/53/09/788565309.db2.gz ITPNSKDBRNYHQL-LBPRGKRZSA-N 1 0 336.396 -1.355 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001284478671 788567064 /nfs/dbraw/zinc/56/70/64/788567064.db2.gz WCGOLBLGHNOGKG-GFCCVEGCSA-N 1 0 347.375 -2.048 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001284478702 788567042 /nfs/dbraw/zinc/56/70/42/788567042.db2.gz WCGOLBLGHNOGKG-LBPRGKRZSA-N 1 0 347.375 -2.048 20 30 EAEDRO CN(C)c1ccnc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001284479369 788566473 /nfs/dbraw/zinc/56/64/73/788566473.db2.gz YKTDDRTWDVPYPU-CYBMUJFWSA-N 1 0 348.407 -1.190 20 30 EAEDRO CN(C)c1ccnc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001284479370 788566265 /nfs/dbraw/zinc/56/62/65/788566265.db2.gz YKTDDRTWDVPYPU-ZDUSSCGKSA-N 1 0 348.407 -1.190 20 30 EAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001284479383 788566615 /nfs/dbraw/zinc/56/66/15/788566615.db2.gz YTVRQAIEGGXHDD-LLVKDONJSA-N 1 0 338.368 -2.564 20 30 EAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001284479384 788567740 /nfs/dbraw/zinc/56/77/40/788567740.db2.gz YTVRQAIEGGXHDD-NSHDSACASA-N 1 0 338.368 -2.564 20 30 EAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001284491353 788566952 /nfs/dbraw/zinc/56/69/52/788566952.db2.gz AQUNSFSUMCNHTJ-CYBMUJFWSA-N 1 0 336.392 -1.679 20 30 EAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001284491360 788567661 /nfs/dbraw/zinc/56/76/61/788567661.db2.gz AQUNSFSUMCNHTJ-ZDUSSCGKSA-N 1 0 336.392 -1.679 20 30 EAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001284492846 788567799 /nfs/dbraw/zinc/56/77/99/788567799.db2.gz NQPLSTLKVFQZAY-KBPBESRZSA-N 1 0 325.409 -1.134 20 30 EAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001284492847 785532290 /nfs/dbraw/zinc/53/22/90/785532290.db2.gz NQPLSTLKVFQZAY-KGLIPLIRSA-N 1 0 325.409 -1.134 20 30 EAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001284492848 785532371 /nfs/dbraw/zinc/53/23/71/785532371.db2.gz NQPLSTLKVFQZAY-UONOGXRCSA-N 1 0 325.409 -1.134 20 30 EAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001284492849 785532439 /nfs/dbraw/zinc/53/24/39/785532439.db2.gz NQPLSTLKVFQZAY-ZIAGYGMSSA-N 1 0 325.409 -1.134 20 30 EAEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001284492964 788569714 /nfs/dbraw/zinc/56/97/14/788569714.db2.gz NVNIEDIZKRPDMX-CYBMUJFWSA-N 1 0 338.408 -1.126 20 30 EAEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001284492965 788568996 /nfs/dbraw/zinc/56/89/96/788568996.db2.gz NVNIEDIZKRPDMX-ZDUSSCGKSA-N 1 0 338.408 -1.126 20 30 EAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001284493296 788568556 /nfs/dbraw/zinc/56/85/56/788568556.db2.gz QRGJFLHLJJEHBF-GFCCVEGCSA-N 1 0 334.442 -1.891 20 30 EAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001284493297 785532901 /nfs/dbraw/zinc/53/29/01/785532901.db2.gz QRGJFLHLJJEHBF-LBPRGKRZSA-N 1 0 334.442 -1.891 20 30 EAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284501920 788568494 /nfs/dbraw/zinc/56/84/94/788568494.db2.gz KOHFIZPTHQULNG-CYBMUJFWSA-N 1 0 339.396 -2.017 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284501922 788569253 /nfs/dbraw/zinc/56/92/53/788569253.db2.gz KOHFIZPTHQULNG-ZDUSSCGKSA-N 1 0 339.396 -2.017 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001284503005 788571433 /nfs/dbraw/zinc/57/14/33/788571433.db2.gz WBLLDAAFGQYXDO-KBPBESRZSA-N 1 0 325.409 -1.087 20 30 EAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001284503006 788570913 /nfs/dbraw/zinc/57/09/13/788570913.db2.gz WBLLDAAFGQYXDO-KGLIPLIRSA-N 1 0 325.409 -1.087 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001284503007 788570166 /nfs/dbraw/zinc/57/01/66/788570166.db2.gz WBLLDAAFGQYXDO-UONOGXRCSA-N 1 0 325.409 -1.087 20 30 EAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001284503008 788570642 /nfs/dbraw/zinc/57/06/42/788570642.db2.gz WBLLDAAFGQYXDO-ZIAGYGMSSA-N 1 0 325.409 -1.087 20 30 EAEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001284505579 788570941 /nfs/dbraw/zinc/57/09/41/788570941.db2.gz NQGYBFXCHMPUIF-NEPJUHHUSA-N 1 0 347.437 -1.773 20 30 EAEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001284505580 788570275 /nfs/dbraw/zinc/57/02/75/788570275.db2.gz NQGYBFXCHMPUIF-RYUDHWBXSA-N 1 0 347.437 -1.773 20 30 EAEDRO C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001284509158 785539376 /nfs/dbraw/zinc/53/93/76/785539376.db2.gz KNWHZVSFVZIAFF-DOMZBBRYSA-N 1 0 329.372 -1.385 20 30 EAEDRO C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001284509160 785540245 /nfs/dbraw/zinc/54/02/45/785540245.db2.gz KNWHZVSFVZIAFF-IUODEOHRSA-N 1 0 329.372 -1.385 20 30 EAEDRO C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001284509161 785540030 /nfs/dbraw/zinc/54/00/30/785540030.db2.gz KNWHZVSFVZIAFF-SWLSCSKDSA-N 1 0 329.372 -1.385 20 30 EAEDRO C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001284509162 785539833 /nfs/dbraw/zinc/53/98/33/785539833.db2.gz KNWHZVSFVZIAFF-WFASDCNBSA-N 1 0 329.372 -1.385 20 30 EAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001284516792 788572226 /nfs/dbraw/zinc/57/22/26/788572226.db2.gz ONWOISHIXQOJFM-CYBMUJFWSA-N 1 0 349.453 -1.721 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001284516793 788571933 /nfs/dbraw/zinc/57/19/33/788571933.db2.gz ONWOISHIXQOJFM-ZDUSSCGKSA-N 1 0 349.453 -1.721 20 30 EAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001284520217 788574395 /nfs/dbraw/zinc/57/43/95/788574395.db2.gz PSJSTRZITZDOPJ-CYBMUJFWSA-N 1 0 338.408 -1.262 20 30 EAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001284520221 788574830 /nfs/dbraw/zinc/57/48/30/788574830.db2.gz PSJSTRZITZDOPJ-ZDUSSCGKSA-N 1 0 338.408 -1.262 20 30 EAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001284520548 788573979 /nfs/dbraw/zinc/57/39/79/788573979.db2.gz UFIFZMUPTYGQOG-GFCCVEGCSA-N 1 0 336.396 -1.636 20 30 EAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001284520549 788574615 /nfs/dbraw/zinc/57/46/15/788574615.db2.gz UFIFZMUPTYGQOG-LBPRGKRZSA-N 1 0 336.396 -1.636 20 30 EAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001284520837 788574087 /nfs/dbraw/zinc/57/40/87/788574087.db2.gz ZPZNOMGNUILNIU-AWEZNQCLSA-N 1 0 345.465 -1.509 20 30 EAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001284520838 788573689 /nfs/dbraw/zinc/57/36/89/788573689.db2.gz ZPZNOMGNUILNIU-CQSZACIVSA-N 1 0 345.465 -1.509 20 30 EAEDRO C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)CNC(=O)NC)CC1 ZINC001284535347 788575850 /nfs/dbraw/zinc/57/58/50/788575850.db2.gz IXBNBHVKMUYULV-UHFFFAOYSA-N 1 0 337.424 -1.165 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cn1cnnn1)C(C)(C)C ZINC001284563623 788580999 /nfs/dbraw/zinc/58/09/99/788580999.db2.gz FUDRFENHZLDRTH-NEPJUHHUSA-N 1 0 335.412 -1.069 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C ZINC001284563624 788580968 /nfs/dbraw/zinc/58/09/68/788580968.db2.gz FUDRFENHZLDRTH-NWDGAFQWSA-N 1 0 335.412 -1.069 20 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ZINC001284613065 788584086 /nfs/dbraw/zinc/58/40/86/788584086.db2.gz BLUHAQKRVBDNAY-NWDGAFQWSA-N 1 0 337.424 -1.120 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C(C)(C)C ZINC001284613066 788583758 /nfs/dbraw/zinc/58/37/58/788583758.db2.gz BLUHAQKRVBDNAY-RYUDHWBXSA-N 1 0 337.424 -1.120 20 30 EAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C(C)(C)C ZINC001284613068 788584631 /nfs/dbraw/zinc/58/46/31/788584631.db2.gz BLUHAQKRVBDNAY-VXGBXAGGSA-N 1 0 337.424 -1.120 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@H](C[NH2+]CC#CCOC)C(C)(C)C ZINC001284614423 788583662 /nfs/dbraw/zinc/58/36/62/788583662.db2.gz QOVCZUUHTIYELG-GFCCVEGCSA-N 1 0 348.469 -1.190 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N[C@@H](C[NH2+]CC#CCOC)C(C)(C)C ZINC001284614424 788584510 /nfs/dbraw/zinc/58/45/10/788584510.db2.gz QOVCZUUHTIYELG-LBPRGKRZSA-N 1 0 348.469 -1.190 20 30 EAEDRO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(C)(C)C ZINC001284640067 788587005 /nfs/dbraw/zinc/58/70/05/788587005.db2.gz DYUCOFMGVIJPDY-NWDGAFQWSA-N 1 0 335.412 -1.069 20 30 EAEDRO C#CC[NH2+]C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(C)(C)C ZINC001284640070 788586170 /nfs/dbraw/zinc/58/61/70/788586170.db2.gz DYUCOFMGVIJPDY-RYUDHWBXSA-N 1 0 335.412 -1.069 20 30 EAEDRO C#CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)CNC(=O)NC)CC1 ZINC001284685874 788589100 /nfs/dbraw/zinc/58/91/00/788589100.db2.gz BJSQNPBBEXXBNP-GFCCVEGCSA-N 1 0 337.424 -1.119 20 30 EAEDRO C=CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)CNC(C)=O)C1 ZINC001284736520 788593401 /nfs/dbraw/zinc/59/34/01/788593401.db2.gz HYSTYYIKWQSVLD-UHFFFAOYSA-N 1 0 339.396 -1.287 20 30 EAEDRO COCCn1cc(C(=O)N(C)C2CC([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001284762299 788595146 /nfs/dbraw/zinc/59/51/46/788595146.db2.gz QYDOJNUQNXCANW-UHFFFAOYSA-N 1 0 349.395 -1.243 20 30 EAEDRO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001284771218 788595113 /nfs/dbraw/zinc/59/51/13/788595113.db2.gz MQOKDNZISJWNST-BPCQOVAHSA-N 1 0 335.408 -1.142 20 30 EAEDRO C[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1)N1C(=O)CCC1=O ZINC001284771422 788594727 /nfs/dbraw/zinc/59/47/27/788594727.db2.gz QJVMKYCOWFJRSD-UNXYVOJBSA-N 1 0 349.391 -1.257 20 30 EAEDRO C[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1)N1C(=O)CCC1=O ZINC001284771423 788594954 /nfs/dbraw/zinc/59/49/54/788594954.db2.gz QJVMKYCOWFJRSD-VOMCLLRMSA-N 1 0 349.391 -1.257 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001284771490 788594511 /nfs/dbraw/zinc/59/45/11/788594511.db2.gz TVFBAEKHPOETFB-ILDUYXDCSA-N 1 0 335.364 -2.087 20 30 EAEDRO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCOCC2=O)C1 ZINC001284771961 788594834 /nfs/dbraw/zinc/59/48/34/788594834.db2.gz ZFESEMQHKXRRAL-UHFFFAOYSA-N 1 0 338.408 -1.274 20 30 EAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001284773407 788594233 /nfs/dbraw/zinc/59/42/33/788594233.db2.gz DXLUOTPMCBFHJT-HIFPTAJRSA-N 1 0 348.407 -1.701 20 30 EAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001284773411 788594253 /nfs/dbraw/zinc/59/42/53/788594253.db2.gz DXLUOTPMCBFHJT-PNESKVBLSA-N 1 0 348.407 -1.701 20 30 EAEDRO CN(C(=O)CCN1C(=O)CCC1=O)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284780173 788595972 /nfs/dbraw/zinc/59/59/72/788595972.db2.gz JZLKUMVGVUKTSU-UHFFFAOYSA-N 1 0 349.391 -1.256 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001284780742 788596061 /nfs/dbraw/zinc/59/60/61/788596061.db2.gz BNTNZAYHCYASKW-UHFFFAOYSA-N 1 0 345.425 -2.631 20 30 EAEDRO CNS(=O)(=O)NCC(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001284780933 788595793 /nfs/dbraw/zinc/59/57/93/788595793.db2.gz HFWHOFYYMAVOFU-UHFFFAOYSA-N 1 0 332.426 -1.731 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001284784550 788595717 /nfs/dbraw/zinc/59/57/17/788595717.db2.gz LSNCNOCOCJTYOP-UHFFFAOYSA-N 1 0 335.408 -2.253 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001284799325 788596258 /nfs/dbraw/zinc/59/62/58/788596258.db2.gz GQFLXJNSFAQGJG-UHFFFAOYSA-N 1 0 334.376 -1.632 20 30 EAEDRO CN(C(=O)COCc1nncn1C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284812877 788595664 /nfs/dbraw/zinc/59/56/64/788595664.db2.gz IYYKQLLXOGDHCA-UHFFFAOYSA-N 1 0 349.395 -1.450 20 30 EAEDRO CN(C(=O)CCn1cnccc1=O)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284813129 788595942 /nfs/dbraw/zinc/59/59/42/788595942.db2.gz SGWBTPABHLYXGF-UHFFFAOYSA-N 1 0 346.391 -1.148 20 30 EAEDRO CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001284815267 788595729 /nfs/dbraw/zinc/59/57/29/788595729.db2.gz HWYWUORPAQRDAA-PNESKVBLSA-N 1 0 333.396 -1.220 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001284819219 788597122 /nfs/dbraw/zinc/59/71/22/788597122.db2.gz WGNVQZMILRNVMD-HTAVTVPLSA-N 1 0 342.421 -1.994 20 30 EAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001284819220 788596894 /nfs/dbraw/zinc/59/68/94/788596894.db2.gz WGNVQZMILRNVMD-MCIGGMRASA-N 1 0 342.421 -1.994 20 30 EAEDRO C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001284822493 788597576 /nfs/dbraw/zinc/59/75/76/788597576.db2.gz QZZVUNIDROLGGM-GFCCVEGCSA-N 1 0 333.396 -1.066 20 30 EAEDRO C#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001284822497 788597625 /nfs/dbraw/zinc/59/76/25/788597625.db2.gz QZZVUNIDROLGGM-LBPRGKRZSA-N 1 0 333.396 -1.066 20 30 EAEDRO C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001284829699 788598193 /nfs/dbraw/zinc/59/81/93/788598193.db2.gz OYKGUWNAUCYAPQ-CYBMUJFWSA-N 1 0 333.396 -1.217 20 30 EAEDRO C#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001284829701 788598184 /nfs/dbraw/zinc/59/81/84/788598184.db2.gz OYKGUWNAUCYAPQ-ZDUSSCGKSA-N 1 0 333.396 -1.217 20 30 EAEDRO CC#CC[NH2+]CCOCCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001284875788 788602346 /nfs/dbraw/zinc/60/23/46/788602346.db2.gz BDTHADHFYOEQMF-UHFFFAOYSA-N 1 0 343.409 -1.241 20 30 EAEDRO C#Cc1ccc(C(=O)N(C)CCOCC[NH2+]CC(=O)NC(N)=O)nc1 ZINC001284878208 788602747 /nfs/dbraw/zinc/60/27/47/788602747.db2.gz NLEZFVQSWXNZSU-UHFFFAOYSA-N 1 0 347.375 -1.064 20 30 EAEDRO 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