smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000002538254 181393814 /nfs/dbraw/zinc/39/38/14/181393814.db2.gz CSNOBIOEFQGLKA-UHFFFAOYSA-N 1 0 227.224 -0.744 20 5 BBBDRO [NH3+]CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000002538298 181380680 /nfs/dbraw/zinc/38/06/80/181380680.db2.gz KOURBMKOMSJDKH-UHFFFAOYSA-N 1 0 227.224 -0.744 20 5 BBBDRO [NH3+]CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000002538300 181380842 /nfs/dbraw/zinc/38/08/42/181380842.db2.gz JPCQGZHFVKPAOL-UHFFFAOYSA-N 1 0 227.224 -0.744 20 5 BBBDRO [NH3+]CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000002538301 181380978 /nfs/dbraw/zinc/38/09/78/181380978.db2.gz YHXOANDNCBESPK-UHFFFAOYSA-N 1 0 241.251 -0.354 20 5 BBBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]CC1 ZINC000020213816 182651114 /nfs/dbraw/zinc/65/11/14/182651114.db2.gz VCZWPNVUETYFFD-UHFFFAOYSA-N 1 0 224.220 -0.032 20 5 BBBDRO Cn1c(C(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000020213837 371243421 /nfs/dbraw/zinc/24/34/21/371243421.db2.gz FRPJJSDPPIBGEL-UHFFFAOYSA-N 1 0 238.247 -0.021 20 5 BBBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]CC1 ZINC000020213845 371242214 /nfs/dbraw/zinc/24/22/14/371242214.db2.gz PFKWDAWZXXXSMM-UHFFFAOYSA-N 1 0 224.220 -0.032 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](O)C[NH+](C)C ZINC000029587251 636440876 /nfs/dbraw/zinc/44/08/76/636440876.db2.gz LYRJEJDIAROGKQ-ZETCQYMHSA-N 1 0 243.267 -0.337 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](O)C[NH+](C)C ZINC000029587252 636440693 /nfs/dbraw/zinc/44/06/93/636440693.db2.gz LYRJEJDIAROGKQ-SSDOTTSWSA-N 1 0 243.267 -0.337 20 5 BBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000037902495 180675624 /nfs/dbraw/zinc/67/56/24/180675624.db2.gz BTODMUHZBJQKKS-UHFFFAOYSA-N 1 0 212.209 -0.378 20 5 BBBDRO Cn1c(C(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000037902499 342998933 /nfs/dbraw/zinc/99/89/33/342998933.db2.gz DMTMWDKEZZQZCK-UHFFFAOYSA-N 1 0 212.209 -0.378 20 5 BBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]CC1 ZINC000043403876 182066071 /nfs/dbraw/zinc/06/60/71/182066071.db2.gz VIPZGANYYGSWQO-UHFFFAOYSA-N 1 0 239.235 -0.777 20 5 BBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]CC1 ZINC000043403911 182067469 /nfs/dbraw/zinc/06/74/69/182067469.db2.gz XGFXUJISABDWRL-UHFFFAOYSA-N 1 0 239.235 -0.777 20 5 BBBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]CC2)n1 ZINC000043500114 343091659 /nfs/dbraw/zinc/09/16/59/343091659.db2.gz IWCGAHRYNRPIGM-UHFFFAOYSA-N 1 0 225.252 -0.304 20 5 BBBDRO C[NH+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044667110 323821839 /nfs/dbraw/zinc/82/18/39/323821839.db2.gz LUXCQMQNCBVQRD-UHFFFAOYSA-N 1 0 241.251 -0.531 20 5 BBBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054244112 173355279 /nfs/dbraw/zinc/35/52/79/173355279.db2.gz HIJPVSWGFLXCIN-UHFFFAOYSA-N 1 0 212.209 -0.128 20 5 BBBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000054244113 359724538 /nfs/dbraw/zinc/72/45/38/359724538.db2.gz FSQYNEPPERERPI-UHFFFAOYSA-N 1 0 226.236 -0.118 20 5 BBBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000054244117 173356334 /nfs/dbraw/zinc/35/63/34/173356334.db2.gz INTNPPDDPXSYAN-UHFFFAOYSA-N 1 0 226.236 -0.118 20 5 BBBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000054244119 173356065 /nfs/dbraw/zinc/35/60/65/173356065.db2.gz FVEJWEZRKLWXTE-UHFFFAOYSA-N 1 0 212.209 -0.128 20 5 BBBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])n1C ZINC000054417415 172731867 /nfs/dbraw/zinc/73/18/67/172731867.db2.gz SVPLWOCBTTUTFG-UHFFFAOYSA-N 1 0 226.236 -0.036 20 5 BBBDRO O=[N+]([O-])c1cnn(C[C@@H]2C[NH2+]CCO2)c1 ZINC000070649639 345794690 /nfs/dbraw/zinc/79/46/90/345794690.db2.gz ZCKPXMXOKVDTDJ-QMMMGPOBSA-N 1 0 212.209 -0.220 20 5 BBBDRO O=[N+]([O-])c1cnn(C[C@H]2C[NH2+]CCO2)c1 ZINC000070649640 345794946 /nfs/dbraw/zinc/79/49/46/345794946.db2.gz ZCKPXMXOKVDTDJ-MRVPVSSYSA-N 1 0 212.209 -0.220 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000082573508 345436854 /nfs/dbraw/zinc/43/68/54/345436854.db2.gz WOXYISLZZBSLHA-YFKPBYRVSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000082573510 345436698 /nfs/dbraw/zinc/43/66/98/345436698.db2.gz WOXYISLZZBSLHA-RXMQYKEDSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082574133 345437534 /nfs/dbraw/zinc/43/75/34/345437534.db2.gz XBLLUAQMHFJMKP-YFKPBYRVSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082574134 345437439 /nfs/dbraw/zinc/43/74/39/345437439.db2.gz XBLLUAQMHFJMKP-RXMQYKEDSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000082576750 643347009 /nfs/dbraw/zinc/34/70/09/643347009.db2.gz UDVBIVWPPKKZLK-RXMQYKEDSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082577567 398341967 /nfs/dbraw/zinc/34/19/67/398341967.db2.gz GZUSQADWZLQCTI-YFKPBYRVSA-N 1 0 212.209 0.000 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000082577569 176661465 /nfs/dbraw/zinc/66/14/65/176661465.db2.gz GZUSQADWZLQCTI-RXMQYKEDSA-N 1 0 212.209 0.000 20 5 BBBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000082654150 384517001 /nfs/dbraw/zinc/51/70/01/384517001.db2.gz MWZHAUYOYPDUGR-UHFFFAOYSA-N 1 0 239.235 -0.328 20 5 BBBDRO C[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090516488 388788678 /nfs/dbraw/zinc/78/86/78/388788678.db2.gz JPRZOMLQLKNBDQ-UHFFFAOYSA-N 1 0 241.247 -0.319 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571594 369352377 /nfs/dbraw/zinc/35/23/77/369352377.db2.gz XFWJNDVKHBUZAA-OCAPTIKFSA-N 1 0 237.263 -0.016 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571596 369353045 /nfs/dbraw/zinc/35/30/45/369353045.db2.gz XFWJNDVKHBUZAA-HTQZYQBOSA-N 1 0 237.263 -0.016 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571599 345534447 /nfs/dbraw/zinc/53/44/47/345534447.db2.gz XFWJNDVKHBUZAA-YUMQZZPRSA-N 1 0 237.263 -0.016 20 5 BBBDRO C[NH2+]CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000120976919 173348222 /nfs/dbraw/zinc/34/82/22/173348222.db2.gz YRVBHCGHDYDCMT-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO CN(CC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127090599 172451037 /nfs/dbraw/zinc/45/10/37/172451037.db2.gz SOEPHZAHXUPBAQ-UHFFFAOYSA-N 1 0 241.251 -0.049 20 5 BBBDRO C[NH+](C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000130018932 387398406 /nfs/dbraw/zinc/39/84/06/387398406.db2.gz APCJGGPWRORMKQ-UHFFFAOYSA-N 1 0 241.251 -0.531 20 5 BBBDRO C[NH+](C)C1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000134886436 384469686 /nfs/dbraw/zinc/46/96/86/384469686.db2.gz LGKFXMQSRXWSAP-UHFFFAOYSA-N 1 0 239.235 -0.296 20 5 BBBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000140263469 358918894 /nfs/dbraw/zinc/91/88/94/358918894.db2.gz VZQBAMPVVSTHJJ-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000152240816 387233399 /nfs/dbraw/zinc/23/33/99/387233399.db2.gz NIIVXXHFBCKHOG-SECBINFHSA-N 1 0 226.236 -0.142 20 5 BBBDRO NC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000152391868 323180588 /nfs/dbraw/zinc/18/05/88/323180588.db2.gz IDVVIYPNUQCKRF-UHFFFAOYSA-N 1 0 239.235 -0.601 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)C2)n1 ZINC000152580989 387633710 /nfs/dbraw/zinc/63/37/10/387633710.db2.gz OKVRUWZEIMAPDK-QMMMGPOBSA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)C2)n1 ZINC000152581094 387633977 /nfs/dbraw/zinc/63/39/77/387633977.db2.gz OKVRUWZEIMAPDK-MRVPVSSYSA-N 1 0 226.236 -0.142 20 5 BBBDRO CC[C@@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000152895031 362976112 /nfs/dbraw/zinc/97/61/12/362976112.db2.gz MFGLVPFYQUTLKU-MRVPVSSYSA-N 1 0 241.251 -0.355 20 5 BBBDRO CC[N@H+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157375213 384382998 /nfs/dbraw/zinc/38/29/98/384382998.db2.gz QTWNNVYAUPEQMV-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000158703229 398333676 /nfs/dbraw/zinc/33/36/76/398333676.db2.gz QDLAAEXGDZYQNR-UHFFFAOYSA-N 1 0 224.220 -0.013 20 5 BBBDRO CCCc1n[nH]c(C(=O)NCC[NH3+])c1[N+](=O)[O-] ZINC000158706711 398333699 /nfs/dbraw/zinc/33/36/99/398333699.db2.gz IXIWSPNNHNIERJ-UHFFFAOYSA-N 1 0 241.251 -0.041 20 5 BBBDRO CN(CCC[NH3+])C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000158715788 344730462 /nfs/dbraw/zinc/73/04/62/344730462.db2.gz MQSLZTPCSMDADJ-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC2)c1 ZINC000173390410 388420824 /nfs/dbraw/zinc/42/08/24/388420824.db2.gz YRMSNWUOXBIOMM-SECBINFHSA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC2)c1 ZINC000173390424 388420639 /nfs/dbraw/zinc/42/06/39/388420639.db2.gz YRMSNWUOXBIOMM-VIFPVBQESA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[NH+](CCO)CCO)c1 ZINC000175175997 388445997 /nfs/dbraw/zinc/44/59/97/388445997.db2.gz DPQLXEUTULIPPS-UHFFFAOYSA-N 1 0 244.251 -0.922 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[NH+](CCO)CCO)n1 ZINC000177025312 397840514 /nfs/dbraw/zinc/84/05/14/397840514.db2.gz GCBUHHAYZNAQMP-UHFFFAOYSA-N 1 0 244.251 -0.922 20 5 BBBDRO CC(C)([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178267359 384884254 /nfs/dbraw/zinc/88/42/54/384884254.db2.gz XCIRXAXEZJJSEQ-UHFFFAOYSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[NH2+]CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178411473 173348166 /nfs/dbraw/zinc/34/81/66/173348166.db2.gz RANAKBLOQMGXSQ-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO C[C@H]([NH3+])CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000178618008 384060828 /nfs/dbraw/zinc/06/08/28/384060828.db2.gz OZWMQQXXNDUZHN-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H]([NH3+])CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000178618016 384061941 /nfs/dbraw/zinc/06/19/41/384061941.db2.gz OZWMQQXXNDUZHN-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@H]([NH3+])CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178639051 384160908 /nfs/dbraw/zinc/16/09/08/384160908.db2.gz BBVFSJCWQPZHNL-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H]([NH3+])CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178639069 175805316 /nfs/dbraw/zinc/80/53/16/175805316.db2.gz BBVFSJCWQPZHNL-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO CC[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178710589 170114664 /nfs/dbraw/zinc/11/46/64/170114664.db2.gz FFMXZUAIPVGYQA-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO CC(C)(C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178872925 187481266 /nfs/dbraw/zinc/48/12/66/187481266.db2.gz YNOGVAWCAIVCLR-UHFFFAOYSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H](C[NH3+])N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179190162 175708852 /nfs/dbraw/zinc/70/88/52/175708852.db2.gz SHUOAVBDCPPCII-ZETCQYMHSA-N 1 0 241.251 -0.403 20 5 BBBDRO C[C@H](C[NH3+])N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179190175 384635784 /nfs/dbraw/zinc/63/57/84/384635784.db2.gz SHUOAVBDCPPCII-SSDOTTSWSA-N 1 0 241.251 -0.403 20 5 BBBDRO NC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000183811919 367042578 /nfs/dbraw/zinc/04/25/78/367042578.db2.gz METLCFCRWDDSMK-UHFFFAOYSA-N 1 0 239.235 -0.601 20 5 BBBDRO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[NH2+]1 ZINC000189023016 176265773 /nfs/dbraw/zinc/26/57/73/176265773.db2.gz JABGQZYNDUMWEW-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO CCN(CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000191732162 387819828 /nfs/dbraw/zinc/81/98/28/387819828.db2.gz GCFBBZWCIDAKSQ-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO C[NH+](C)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000196747855 398300625 /nfs/dbraw/zinc/30/06/25/398300625.db2.gz SXSNDKDHCGXYAB-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]CC1 ZINC000213636121 363048421 /nfs/dbraw/zinc/04/84/21/363048421.db2.gz FXLCRPJWNFQQAE-UHFFFAOYSA-N 1 0 225.252 -0.267 20 5 BBBDRO CC(C)([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000236610467 386292098 /nfs/dbraw/zinc/29/20/98/386292098.db2.gz WVZMOLNGMXWOSU-UHFFFAOYSA-N 1 0 241.251 -0.355 20 5 BBBDRO CC(C)(C(=O)NCC[NH3+])n1cc([N+](=O)[O-])cn1 ZINC000236707190 166506122 /nfs/dbraw/zinc/50/61/22/166506122.db2.gz GKGYHCVJABXBNP-UHFFFAOYSA-N 1 0 241.251 -0.399 20 5 BBBDRO CC[NH2+]CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000236923884 170115038 /nfs/dbraw/zinc/11/50/38/170115038.db2.gz XSCDEZHQXLGGGK-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO C[NH2+]CCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237296376 173351752 /nfs/dbraw/zinc/35/17/52/173351752.db2.gz NFNXCOJOBNAYGH-UHFFFAOYSA-N 1 0 241.251 -0.531 20 5 BBBDRO C[C@@H](C[NH3+])N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237435615 387518935 /nfs/dbraw/zinc/51/89/35/387518935.db2.gz FLDQFMRQGOFXGS-ZETCQYMHSA-N 1 0 241.251 -0.403 20 5 BBBDRO C[C@H](C[NH3+])N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237615722 387779021 /nfs/dbraw/zinc/77/90/21/387779021.db2.gz FLDQFMRQGOFXGS-SSDOTTSWSA-N 1 0 241.251 -0.403 20 5 BBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000252403721 363237859 /nfs/dbraw/zinc/23/78/59/363237859.db2.gz BQYMXJYQGQOZLT-KPCSLPGQSA-N 1 0 236.231 -0.130 20 5 BBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000252419955 363237362 /nfs/dbraw/zinc/23/73/62/363237362.db2.gz WZHSBTQDUZMQTA-QMSLJYSESA-N 1 0 236.231 -0.130 20 5 BBBDRO C[NH2+][C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261849218 385830893 /nfs/dbraw/zinc/83/08/93/385830893.db2.gz XDUXONLAAFCGHQ-SSDOTTSWSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+][C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261849219 384884760 /nfs/dbraw/zinc/88/47/60/384884760.db2.gz XDUXONLAAFCGHQ-ZETCQYMHSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+][C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261867766 384894187 /nfs/dbraw/zinc/89/41/87/384894187.db2.gz ZGPNMNXOYQSQBT-SSDOTTSWSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+][C@@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261867768 384895262 /nfs/dbraw/zinc/89/52/62/384895262.db2.gz ZGPNMNXOYQSQBT-ZETCQYMHSA-N 1 0 241.251 -0.485 20 5 BBBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000262008137 135272497 /nfs/dbraw/zinc/27/24/97/135272497.db2.gz IRMZLDVYUSUGQB-UHFFFAOYSA-N 1 0 224.220 -0.128 20 5 BBBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000262013075 135272299 /nfs/dbraw/zinc/27/22/99/135272299.db2.gz JYNRHKDBVNBXBI-UHFFFAOYSA-N 1 0 224.220 -0.128 20 5 BBBDRO Cn1c(C(=O)NCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262048085 135275772 /nfs/dbraw/zinc/27/57/72/135275772.db2.gz UZVLKRTXNVQEDN-UHFFFAOYSA-N 1 0 238.247 -0.118 20 5 BBBDRO CC(C)(C[NH3+])NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000262540157 386261004 /nfs/dbraw/zinc/26/10/04/386261004.db2.gz FGXFYMJUWMJTSY-UHFFFAOYSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[NH2+]CCN(C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000262947998 173352862 /nfs/dbraw/zinc/35/28/62/173352862.db2.gz BHIWOIWMFNECFV-UHFFFAOYSA-N 1 0 241.251 -0.082 20 5 BBBDRO C[NH2+]CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000263257512 173351320 /nfs/dbraw/zinc/35/13/20/173351320.db2.gz RGCVGMJQNLCPQV-UHFFFAOYSA-N 1 0 241.251 -0.531 20 5 BBBDRO C[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267108706 386021705 /nfs/dbraw/zinc/02/17/05/386021705.db2.gz WVPDNVXXUFQKPJ-UHFFFAOYSA-N 1 0 214.225 -0.285 20 5 BBBDRO CC[NH2+]CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000269153052 170115171 /nfs/dbraw/zinc/11/51/71/170115171.db2.gz RIQKAPWCHHEPTK-UHFFFAOYSA-N 1 0 241.251 -0.034 20 5 BBBDRO Cc1n[nH]c(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000269730288 387475436 /nfs/dbraw/zinc/47/54/36/387475436.db2.gz YBAFPMXNVNRDPZ-UHFFFAOYSA-N 1 0 241.251 -0.082 20 5 BBBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000270839279 388367731 /nfs/dbraw/zinc/36/77/31/388367731.db2.gz HPPSDUFOMKZZNT-UHFFFAOYSA-N 1 0 238.251 -0.283 20 5 BBBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000271067189 388372496 /nfs/dbraw/zinc/37/24/96/388372496.db2.gz WMMGIBRAOXEGQK-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+](C)C ZINC000271067191 388372367 /nfs/dbraw/zinc/37/23/67/388372367.db2.gz WMMGIBRAOXEGQK-ZCFIWIBFSA-N 1 0 241.251 -0.002 20 5 BBBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000285263650 398319606 /nfs/dbraw/zinc/31/96/06/398319606.db2.gz SLQZFBFBBBMOKD-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000285263655 384429275 /nfs/dbraw/zinc/42/92/75/384429275.db2.gz SLQZFBFBBBMOKD-ZCFIWIBFSA-N 1 0 241.251 -0.002 20 5 BBBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285502589 388835884 /nfs/dbraw/zinc/83/58/84/388835884.db2.gz AXYCQLSYRQVBDQ-UHFFFAOYSA-N 1 0 239.235 -0.296 20 5 BBBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285677724 384197850 /nfs/dbraw/zinc/19/78/50/384197850.db2.gz UQLFNYNXEJCWLZ-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO C[N@@H+](CCC(N)=O)CCn1ccc([N+](=O)[O-])n1 ZINC000286266825 384259512 /nfs/dbraw/zinc/25/95/12/384259512.db2.gz BOMGIGMQEAKCTC-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286300334 384265765 /nfs/dbraw/zinc/26/57/65/384265765.db2.gz WZMJGICIYCZFQG-UHFFFAOYSA-N 1 0 241.251 -0.049 20 5 BBBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286373382 384284048 /nfs/dbraw/zinc/28/40/48/384284048.db2.gz YUEBESTWAZWPSR-UHFFFAOYSA-N 1 0 227.224 -0.391 20 5 BBBDRO C[N@@H+](CCC(N)=O)CCn1cc([N+](=O)[O-])cn1 ZINC000286575450 385172829 /nfs/dbraw/zinc/17/28/29/385172829.db2.gz UXYYDDUSTLIGCX-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287287986 383897086 /nfs/dbraw/zinc/89/70/86/383897086.db2.gz UJNRWGSOGNEZMI-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO C[C@@H](C[NH+](C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000287317838 383925806 /nfs/dbraw/zinc/92/58/06/383925806.db2.gz WRVKOKORCNKEDW-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO C[NH+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000298764169 388654127 /nfs/dbraw/zinc/65/41/27/388654127.db2.gz FEHXBEWBFVVAOX-UHFFFAOYSA-N 1 0 241.251 -0.531 20 5 BBBDRO C[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304307101 529920507 /nfs/dbraw/zinc/92/05/07/529920507.db2.gz KKETWZVIGLWRAY-SECBINFHSA-N 1 0 244.251 -0.924 20 5 BBBDRO C[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304307102 529920706 /nfs/dbraw/zinc/92/07/06/529920706.db2.gz KKETWZVIGLWRAY-VIFPVBQESA-N 1 0 244.251 -0.924 20 5 BBBDRO C[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000304535223 388358492 /nfs/dbraw/zinc/35/84/92/388358492.db2.gz OTJYZEAYMFTPPX-UHFFFAOYSA-N 1 0 214.225 -0.285 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000308950841 384386789 /nfs/dbraw/zinc/38/67/89/384386789.db2.gz UXVHAVVVLDVZKY-HTQZYQBOSA-N 1 0 213.237 -0.527 20 5 BBBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000308950845 384387995 /nfs/dbraw/zinc/38/79/95/384387995.db2.gz UXVHAVVVLDVZKY-JGVFFNPUSA-N 1 0 213.237 -0.527 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000308950850 384388244 /nfs/dbraw/zinc/38/82/44/384388244.db2.gz UXVHAVVVLDVZKY-SFYZADRCSA-N 1 0 213.237 -0.527 20 5 BBBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000308950854 384386916 /nfs/dbraw/zinc/38/69/16/384386916.db2.gz UXVHAVVVLDVZKY-YUMQZZPRSA-N 1 0 213.237 -0.527 20 5 BBBDRO Nc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000309652408 632616748 /nfs/dbraw/zinc/61/67/48/632616748.db2.gz YEOYNKQVOFIJCI-UHFFFAOYSA-N 1 0 224.220 -0.135 20 5 BBBDRO C[N@H+](C[C@@H](O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000310469884 384175323 /nfs/dbraw/zinc/17/53/23/384175323.db2.gz YOBYKVYXVJORTC-MRVPVSSYSA-N 1 0 241.251 -0.359 20 5 BBBDRO C[N@H+](C[C@H](O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000310469885 384175647 /nfs/dbraw/zinc/17/56/47/384175647.db2.gz YOBYKVYXVJORTC-QMMMGPOBSA-N 1 0 241.251 -0.359 20 5 BBBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])n1 ZINC000310545411 343529711 /nfs/dbraw/zinc/52/97/11/343529711.db2.gz SBMXFYNYDRXIMC-MRVPVSSYSA-N 1 0 243.267 -0.113 20 5 BBBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])n1 ZINC000310545412 343529631 /nfs/dbraw/zinc/52/96/31/343529631.db2.gz SBMXFYNYDRXIMC-QMMMGPOBSA-N 1 0 243.267 -0.113 20 5 BBBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCC2)nc1 ZINC000336668058 411685489 /nfs/dbraw/zinc/68/54/89/411685489.db2.gz GGDQBQPTNUHMHD-UHFFFAOYSA-N 1 0 223.236 0.502 20 5 BBBDRO [NH3+]CCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000342404062 135271933 /nfs/dbraw/zinc/27/19/33/135271933.db2.gz WHPSXXZXDHNKTN-UHFFFAOYSA-N 1 0 243.267 -0.956 20 5 BBBDRO [NH3+]CCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000342409775 135272836 /nfs/dbraw/zinc/27/28/36/135272836.db2.gz CAVQJSPSZNAMFJ-UHFFFAOYSA-N 1 0 243.267 -0.956 20 5 BBBDRO [NH3+]C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCC1 ZINC000342652722 135307450 /nfs/dbraw/zinc/30/74/50/135307450.db2.gz IGWYJXUIDPEEEE-UHFFFAOYSA-N 1 0 239.235 -0.071 20 5 BBBDRO C[NH+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000345599748 355806589 /nfs/dbraw/zinc/80/65/89/355806589.db2.gz PVAUDQVCPIWFKC-UHFFFAOYSA-N 1 0 227.224 -0.391 20 5 BBBDRO C[C@H](C[NH+](C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000346171445 387033356 /nfs/dbraw/zinc/03/33/56/387033356.db2.gz WRVKOKORCNKEDW-ZCFIWIBFSA-N 1 0 241.251 -0.002 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[NH3+] ZINC000347624928 359007579 /nfs/dbraw/zinc/00/75/79/359007579.db2.gz PPXSWLZDAXHTBI-LURJTMIESA-N 1 0 241.251 -0.437 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[NH3+] ZINC000347624929 359007482 /nfs/dbraw/zinc/00/74/82/359007482.db2.gz PPXSWLZDAXHTBI-ZCFIWIBFSA-N 1 0 241.251 -0.437 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000347663092 135996448 /nfs/dbraw/zinc/99/64/48/135996448.db2.gz WDVSXTCHLQJNAR-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000347663093 359026640 /nfs/dbraw/zinc/02/66/40/359026640.db2.gz WDVSXTCHLQJNAR-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000347691342 136005556 /nfs/dbraw/zinc/00/55/56/136005556.db2.gz NZXLUZXFSTWRJQ-LURJTMIESA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000347691351 136005534 /nfs/dbraw/zinc/00/55/34/136005534.db2.gz NZXLUZXFSTWRJQ-ZCFIWIBFSA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000347707789 136008398 /nfs/dbraw/zinc/00/83/98/136008398.db2.gz YQDYRYVUNLCSOL-LURJTMIESA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000347707791 136008506 /nfs/dbraw/zinc/00/85/06/136008506.db2.gz YQDYRYVUNLCSOL-ZCFIWIBFSA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@H](CC[NH3+])NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349966910 370840265 /nfs/dbraw/zinc/84/02/65/370840265.db2.gz TVXYFLOXLVFZSU-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H](CC[NH3+])NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000349966911 370840883 /nfs/dbraw/zinc/84/08/83/370840883.db2.gz TVXYFLOXLVFZSU-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@H](CC[NH3+])NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000349997688 370930415 /nfs/dbraw/zinc/93/04/15/370930415.db2.gz ZNTYHXPGGLFDGC-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@@H](CC[NH3+])NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000349997797 370930627 /nfs/dbraw/zinc/93/06/27/370930627.db2.gz ZNTYHXPGGLFDGC-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000353100463 398321035 /nfs/dbraw/zinc/32/10/35/398321035.db2.gz AMBYJSOGXLYWCL-UHFFFAOYSA-N 1 0 225.208 -0.637 20 5 BBBDRO C[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000353772067 388373585 /nfs/dbraw/zinc/37/35/85/388373585.db2.gz XUHHUIZLPNAZQJ-LURJTMIESA-N 1 0 227.224 -0.745 20 5 BBBDRO [NH3+]C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353772376 181325356 /nfs/dbraw/zinc/32/53/56/181325356.db2.gz YKWMEYZVMRHYTK-UHFFFAOYSA-N 1 0 239.235 -0.601 20 5 BBBDRO CN(CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355787797 385848136 /nfs/dbraw/zinc/84/81/36/385848136.db2.gz AZNDDHJRLFSVQG-UHFFFAOYSA-N 1 0 214.225 -0.248 20 5 BBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000356120332 388389351 /nfs/dbraw/zinc/38/93/51/388389351.db2.gz SILHGVCDIKFKJV-UHFFFAOYSA-N 1 0 241.251 -0.380 20 5 BBBDRO CN(CCn1ccc([N+](=O)[O-])n1)C1C[NH2+]C1 ZINC000357071567 388391134 /nfs/dbraw/zinc/39/11/34/388391134.db2.gz GVDUSKIXTZKTRJ-UHFFFAOYSA-N 1 0 225.252 -0.305 20 5 BBBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC000357074367 388391378 /nfs/dbraw/zinc/39/13/78/388391378.db2.gz GRXMMYHXSHBNPH-UHFFFAOYSA-N 1 0 225.252 -0.305 20 5 BBBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1C[NH2+]C1 ZINC000357108147 172836539 /nfs/dbraw/zinc/83/65/39/172836539.db2.gz SXXJLSSOMHYRSW-UHFFFAOYSA-N 1 0 225.252 -0.268 20 5 BBBDRO [NH3+]CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000357801154 181376137 /nfs/dbraw/zinc/37/61/37/181376137.db2.gz IXFGPZONHKANDY-UHFFFAOYSA-N 1 0 241.251 -0.354 20 5 BBBDRO [NH3+]CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000357804722 181376183 /nfs/dbraw/zinc/37/61/83/181376183.db2.gz MCXMVDUNVIZYJH-UHFFFAOYSA-N 1 0 241.251 -0.354 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363211034 384429954 /nfs/dbraw/zinc/42/99/54/384429954.db2.gz ADCLIDRTBSWHPT-AEJSXWLSSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363211035 384429581 /nfs/dbraw/zinc/42/95/81/384429581.db2.gz ADCLIDRTBSWHPT-BBBLOLIVSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363211036 384430419 /nfs/dbraw/zinc/43/04/19/384430419.db2.gz ADCLIDRTBSWHPT-IVZWLZJFSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363211037 384428931 /nfs/dbraw/zinc/42/89/31/384428931.db2.gz ADCLIDRTBSWHPT-OPRDCNLKSA-N 1 0 239.275 -0.042 20 5 BBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000365926899 173197633 /nfs/dbraw/zinc/19/76/33/173197633.db2.gz GOEDYEDSEQRXEH-JXUBOQSCSA-N 1 0 239.275 -0.328 20 5 BBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000365926900 173197682 /nfs/dbraw/zinc/19/76/82/173197682.db2.gz GOEDYEDSEQRXEH-QCLAVDOMSA-N 1 0 239.275 -0.328 20 5 BBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000365926901 173196813 /nfs/dbraw/zinc/19/68/13/173196813.db2.gz GOEDYEDSEQRXEH-RGOKHQFPSA-N 1 0 239.275 -0.328 20 5 BBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000365926902 173198539 /nfs/dbraw/zinc/19/85/39/173198539.db2.gz GOEDYEDSEQRXEH-UTINFBMNSA-N 1 0 239.275 -0.328 20 5 BBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000366464632 182229766 /nfs/dbraw/zinc/22/97/66/182229766.db2.gz VGDKICHJCQDFGP-DKXJUACHSA-N 1 0 231.227 -0.532 20 5 BBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000366464633 182229252 /nfs/dbraw/zinc/22/92/52/182229252.db2.gz VGDKICHJCQDFGP-HSNKUXOKSA-N 1 0 231.227 -0.532 20 5 BBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366464634 182229125 /nfs/dbraw/zinc/22/91/25/182229125.db2.gz VGDKICHJCQDFGP-RULNZFCNSA-N 1 0 231.227 -0.532 20 5 BBBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000366464635 182229719 /nfs/dbraw/zinc/22/97/19/182229719.db2.gz VGDKICHJCQDFGP-XAMCCFCMSA-N 1 0 231.227 -0.532 20 5 BBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000366933672 173371926 /nfs/dbraw/zinc/37/19/26/173371926.db2.gz LVXJVHQUIUEETC-JBDRJPRFSA-N 1 0 245.254 -0.190 20 5 BBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000366933673 173371721 /nfs/dbraw/zinc/37/17/21/173371721.db2.gz LVXJVHQUIUEETC-MAUMQABQSA-N 1 0 245.254 -0.190 20 5 BBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366933674 173372075 /nfs/dbraw/zinc/37/20/75/173372075.db2.gz LVXJVHQUIUEETC-RBXMUDONSA-N 1 0 245.254 -0.190 20 5 BBBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000366933675 173371831 /nfs/dbraw/zinc/37/18/31/173371831.db2.gz LVXJVHQUIUEETC-XSPKLOCKSA-N 1 0 245.254 -0.190 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368012516 387676113 /nfs/dbraw/zinc/67/61/13/387676113.db2.gz TVJHIRSQUZKHAJ-JLIMGVALSA-N 1 0 239.275 -0.281 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368012517 387675974 /nfs/dbraw/zinc/67/59/74/387675974.db2.gz TVJHIRSQUZKHAJ-KYXWUPHJSA-N 1 0 239.275 -0.281 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368012518 387677368 /nfs/dbraw/zinc/67/73/68/387677368.db2.gz TVJHIRSQUZKHAJ-QEYWKRMJSA-N 1 0 239.275 -0.281 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368012519 387677043 /nfs/dbraw/zinc/67/70/43/387677043.db2.gz TVJHIRSQUZKHAJ-RGOKHQFPSA-N 1 0 239.275 -0.281 20 5 BBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]12 ZINC000368309693 387095280 /nfs/dbraw/zinc/09/52/80/387095280.db2.gz GKSHABYCACYMPY-HOTMZDKISA-N 1 0 239.275 -0.153 20 5 BBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]12 ZINC000368309694 387094957 /nfs/dbraw/zinc/09/49/57/387094957.db2.gz GKSHABYCACYMPY-IGORNWKESA-N 1 0 239.275 -0.153 20 5 BBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]12 ZINC000368309695 387095126 /nfs/dbraw/zinc/09/51/26/387095126.db2.gz GKSHABYCACYMPY-SPFKKGSWSA-N 1 0 239.275 -0.153 20 5 BBBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]12 ZINC000368309696 387095718 /nfs/dbraw/zinc/09/57/18/387095718.db2.gz GKSHABYCACYMPY-VVULQXIFSA-N 1 0 239.275 -0.153 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368370027 182627588 /nfs/dbraw/zinc/62/75/88/182627588.db2.gz MVAZPOZFOZRMLD-IMSYWVGJSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368370028 387369416 /nfs/dbraw/zinc/36/94/16/387369416.db2.gz MVAZPOZFOZRMLD-JLIMGVALSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368370029 387369811 /nfs/dbraw/zinc/36/98/11/387369811.db2.gz MVAZPOZFOZRMLD-JXUBOQSCSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368370030 387369289 /nfs/dbraw/zinc/36/92/89/387369289.db2.gz MVAZPOZFOZRMLD-KYXWUPHJSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376015 387369568 /nfs/dbraw/zinc/36/95/68/387369568.db2.gz KMKUVXSKXVYCAM-JQCXWYLXSA-N 1 0 225.248 -0.528 20 5 BBBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376016 387369274 /nfs/dbraw/zinc/36/92/74/387369274.db2.gz KMKUVXSKXVYCAM-RBXMUDONSA-N 1 0 225.248 -0.528 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376017 387369646 /nfs/dbraw/zinc/36/96/46/387369646.db2.gz KMKUVXSKXVYCAM-UYXSQOIJSA-N 1 0 225.248 -0.528 20 5 BBBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376018 386967603 /nfs/dbraw/zinc/96/76/03/386967603.db2.gz KMKUVXSKXVYCAM-XSPKLOCKSA-N 1 0 225.248 -0.528 20 5 BBBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368385434 182290490 /nfs/dbraw/zinc/29/04/90/182290490.db2.gz OHEMHNLTAHZJGT-DJLDLDEBSA-N 1 0 239.275 -0.090 20 5 BBBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368385435 182289588 /nfs/dbraw/zinc/28/95/88/182289588.db2.gz OHEMHNLTAHZJGT-HRDYMLBCSA-N 1 0 239.275 -0.090 20 5 BBBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368385436 182289715 /nfs/dbraw/zinc/28/97/15/182289715.db2.gz OHEMHNLTAHZJGT-IWSPIJDZSA-N 1 0 239.275 -0.090 20 5 BBBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368385437 182290545 /nfs/dbraw/zinc/29/05/45/182290545.db2.gz OHEMHNLTAHZJGT-XHNCKOQMSA-N 1 0 239.275 -0.090 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368704659 182295450 /nfs/dbraw/zinc/29/54/50/182295450.db2.gz STYMWWSZTUINMM-HLTSFMKQSA-N 1 0 227.264 -0.090 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368704660 182294967 /nfs/dbraw/zinc/29/49/67/182294967.db2.gz STYMWWSZTUINMM-HRDYMLBCSA-N 1 0 227.264 -0.090 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368704661 182295426 /nfs/dbraw/zinc/29/54/26/182295426.db2.gz STYMWWSZTUINMM-IWSPIJDZSA-N 1 0 227.264 -0.090 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368704662 182295122 /nfs/dbraw/zinc/29/51/22/182295122.db2.gz STYMWWSZTUINMM-VGMNWLOBSA-N 1 0 227.264 -0.090 20 5 BBBDRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000371436280 173012752 /nfs/dbraw/zinc/01/27/52/173012752.db2.gz XVQAHJHWYQUYLF-BDAKNGLRSA-N 1 0 227.264 -0.184 20 5 BBBDRO C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000371436282 173013623 /nfs/dbraw/zinc/01/36/23/173013623.db2.gz XVQAHJHWYQUYLF-DTWKUNHWSA-N 1 0 227.264 -0.184 20 5 BBBDRO C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000371436284 173015327 /nfs/dbraw/zinc/01/53/27/173015327.db2.gz XVQAHJHWYQUYLF-IUCAKERBSA-N 1 0 227.264 -0.184 20 5 BBBDRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000371436286 173011180 /nfs/dbraw/zinc/01/11/80/173011180.db2.gz XVQAHJHWYQUYLF-RKDXNWHRSA-N 1 0 227.264 -0.184 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000372731017 388003552 /nfs/dbraw/zinc/00/35/52/388003552.db2.gz ZFNLGYOVGQSHNL-NXEZZACHSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000372731018 388003409 /nfs/dbraw/zinc/00/34/09/388003409.db2.gz ZFNLGYOVGQSHNL-UWVGGRQHSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000372731019 388003321 /nfs/dbraw/zinc/00/33/21/388003321.db2.gz ZFNLGYOVGQSHNL-VHSXEESVSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000372731020 388003026 /nfs/dbraw/zinc/00/30/26/388003026.db2.gz ZFNLGYOVGQSHNL-ZJUUUORDSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373057201 388097210 /nfs/dbraw/zinc/09/72/10/388097210.db2.gz NOTOSUORYILHOW-IMSYWVGJSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373057204 388096540 /nfs/dbraw/zinc/09/65/40/388096540.db2.gz NOTOSUORYILHOW-JLIMGVALSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373057208 388096929 /nfs/dbraw/zinc/09/69/29/388096929.db2.gz NOTOSUORYILHOW-JXUBOQSCSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373057210 388096306 /nfs/dbraw/zinc/09/63/06/388096306.db2.gz NOTOSUORYILHOW-KYXWUPHJSA-N 1 0 239.275 -0.138 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373533591 388370245 /nfs/dbraw/zinc/37/02/45/388370245.db2.gz WNTBZTRCXDOHBY-BZNPZCIMSA-N 1 0 225.248 -0.671 20 5 BBBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373533601 388370315 /nfs/dbraw/zinc/37/03/15/388370315.db2.gz WNTBZTRCXDOHBY-KZVJFYERSA-N 1 0 225.248 -0.671 20 5 BBBDRO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373533604 388370240 /nfs/dbraw/zinc/37/02/40/388370240.db2.gz WNTBZTRCXDOHBY-UYXSQOIJSA-N 1 0 225.248 -0.671 20 5 BBBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373533607 388369956 /nfs/dbraw/zinc/36/99/56/388369956.db2.gz WNTBZTRCXDOHBY-XAVMHZPKSA-N 1 0 225.248 -0.671 20 5 BBBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000420217954 411902773 /nfs/dbraw/zinc/90/27/73/411902773.db2.gz XWLSMJWVSSSTGI-LURJTMIESA-N 1 0 240.267 -0.344 20 5 BBBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000420217955 411900596 /nfs/dbraw/zinc/90/05/96/411900596.db2.gz XWLSMJWVSSSTGI-ZCFIWIBFSA-N 1 0 240.267 -0.344 20 5 BBBDRO Nc1nc(NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC000420226648 411976582 /nfs/dbraw/zinc/97/65/82/411976582.db2.gz AUUFCOCKNOLLHY-UHFFFAOYSA-N 1 0 226.240 -0.460 20 5 BBBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422728841 388685160 /nfs/dbraw/zinc/68/51/60/388685160.db2.gz JRHMMSFNXIPDGL-LURJTMIESA-N 1 0 239.235 -0.200 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422728854 388685105 /nfs/dbraw/zinc/68/51/05/388685105.db2.gz JRHMMSFNXIPDGL-ZCFIWIBFSA-N 1 0 239.235 -0.200 20 5 BBBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422788973 388687454 /nfs/dbraw/zinc/68/74/54/388687454.db2.gz WHVYLXAOKLCJHH-UHFFFAOYSA-N 1 0 227.224 -0.343 20 5 BBBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422790284 388686704 /nfs/dbraw/zinc/68/67/04/388686704.db2.gz SWCDJLFCRIIJEX-LURJTMIESA-N 1 0 239.235 -0.200 20 5 BBBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422790287 388686634 /nfs/dbraw/zinc/68/66/34/388686634.db2.gz SWCDJLFCRIIJEX-ZCFIWIBFSA-N 1 0 239.235 -0.200 20 5 BBBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422826666 388687190 /nfs/dbraw/zinc/68/71/90/388687190.db2.gz LRPWEQLITFADLK-LURJTMIESA-N 1 0 241.251 -0.097 20 5 BBBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000422826667 388686249 /nfs/dbraw/zinc/68/62/49/388686249.db2.gz LRPWEQLITFADLK-ZCFIWIBFSA-N 1 0 241.251 -0.097 20 5 BBBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC1 ZINC000423505630 388692547 /nfs/dbraw/zinc/69/25/47/388692547.db2.gz HHWSOUGFSQSVGA-UHFFFAOYSA-N 1 0 239.235 -0.071 20 5 BBBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423674958 388694006 /nfs/dbraw/zinc/69/40/06/388694006.db2.gz HIUSAGWYTYWLQU-RXMQYKEDSA-N 1 0 227.224 -0.215 20 5 BBBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423674960 388694200 /nfs/dbraw/zinc/69/42/00/388694200.db2.gz HIUSAGWYTYWLQU-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000424173963 388695014 /nfs/dbraw/zinc/69/50/14/388695014.db2.gz NUEDZGMFYBOJFU-JGVFFNPUSA-N 1 0 239.235 -0.745 20 5 BBBDRO C[NH2+]CCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000428124891 388719627 /nfs/dbraw/zinc/71/96/27/388719627.db2.gz LYYRZYCFJUNQQC-UHFFFAOYSA-N 1 0 241.251 -0.034 20 5 BBBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000428198363 201001346 /nfs/dbraw/zinc/00/13/46/201001346.db2.gz YMTIYUUZYYEEEE-LURJTMIESA-N 1 0 239.235 -0.282 20 5 BBBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000428198365 201002695 /nfs/dbraw/zinc/00/26/95/201002695.db2.gz YMTIYUUZYYEEEE-ZCFIWIBFSA-N 1 0 239.235 -0.282 20 5 BBBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000428359438 201011766 /nfs/dbraw/zinc/01/17/66/201011766.db2.gz GVFNSNMXVUHBBO-ZCFIWIBFSA-N 1 0 239.235 -0.200 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH3+] ZINC000428470102 201022762 /nfs/dbraw/zinc/02/27/62/201022762.db2.gz MKNVFRHRJQUQNY-UHFFFAOYSA-N 1 0 241.251 -0.435 20 5 BBBDRO [NH3+][C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000428480999 191080361 /nfs/dbraw/zinc/08/03/61/191080361.db2.gz MJSJZXROBPZWTM-SSDOTTSWSA-N 1 0 239.235 -0.649 20 5 BBBDRO Cc1n[nH]c(C(=O)NCCC[NH3+])c1[N+](=O)[O-] ZINC000428484036 201024846 /nfs/dbraw/zinc/02/48/46/201024846.db2.gz RGOYYBZAPZKHPL-UHFFFAOYSA-N 1 0 227.224 -0.295 20 5 BBBDRO [NH3+][C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428488478 201025168 /nfs/dbraw/zinc/02/51/68/201025168.db2.gz SYPDBQLEVMJORL-SSDOTTSWSA-N 1 0 239.235 -0.649 20 5 BBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[NH2+]C1 ZINC000428645346 201030954 /nfs/dbraw/zinc/03/09/54/201030954.db2.gz CCIHEDLVRFLSRB-SSDOTTSWSA-N 1 0 239.235 -0.731 20 5 BBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[NH2+]C1 ZINC000428645349 201030135 /nfs/dbraw/zinc/03/01/35/201030135.db2.gz CCIHEDLVRFLSRB-ZETCQYMHSA-N 1 0 239.235 -0.731 20 5 BBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[NH2+]C1 ZINC000428656636 201031338 /nfs/dbraw/zinc/03/13/38/201031338.db2.gz JLLCQPLNLSMKKJ-SSDOTTSWSA-N 1 0 239.235 -0.731 20 5 BBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[NH2+]C1 ZINC000428656638 201031206 /nfs/dbraw/zinc/03/12/06/201031206.db2.gz JLLCQPLNLSMKKJ-ZETCQYMHSA-N 1 0 239.235 -0.731 20 5 BBBDRO [NH3+][C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000428942091 201050292 /nfs/dbraw/zinc/05/02/92/201050292.db2.gz MJSJZXROBPZWTM-ZETCQYMHSA-N 1 0 239.235 -0.649 20 5 BBBDRO [NH3+][C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000428979945 201054921 /nfs/dbraw/zinc/05/49/21/201054921.db2.gz SYPDBQLEVMJORL-ZETCQYMHSA-N 1 0 239.235 -0.649 20 5 BBBDRO Cc1n[nH]c(C(=O)N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000429073612 201065934 /nfs/dbraw/zinc/06/59/34/201065934.db2.gz GVFNSNMXVUHBBO-LURJTMIESA-N 1 0 239.235 -0.200 20 5 BBBDRO C[NH2+]CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000429077809 201065744 /nfs/dbraw/zinc/06/57/44/201065744.db2.gz IEPOLORZPSGMLM-UHFFFAOYSA-N 1 0 227.224 -0.424 20 5 BBBDRO C[NH2+]CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000429095327 201067606 /nfs/dbraw/zinc/06/76/06/201067606.db2.gz GJCRLGGPADVRBV-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO C[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000429098369 201069015 /nfs/dbraw/zinc/06/90/15/201069015.db2.gz TVBHWWRZHPILMO-UHFFFAOYSA-N 1 0 227.224 -0.873 20 5 BBBDRO C[NH2+]CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000429101840 201068575 /nfs/dbraw/zinc/06/85/75/201068575.db2.gz YDLISPWHAIWEHO-UHFFFAOYSA-N 1 0 227.224 -0.873 20 5 BBBDRO C[NH2+]CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000429105431 201068386 /nfs/dbraw/zinc/06/83/86/201068386.db2.gz UFDMCFAOQUEFLD-UHFFFAOYSA-N 1 0 241.251 -0.565 20 5 BBBDRO [NH3+][C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430599292 192880338 /nfs/dbraw/zinc/88/03/38/192880338.db2.gz ABTPSCMVPCJNOT-MRVPVSSYSA-N 1 0 225.252 -0.176 20 5 BBBDRO [NH3+][C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430599293 388729090 /nfs/dbraw/zinc/72/90/90/388729090.db2.gz ABTPSCMVPCJNOT-QMMMGPOBSA-N 1 0 225.252 -0.176 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]([NH3+])C1 ZINC000430608537 388728732 /nfs/dbraw/zinc/72/87/32/388728732.db2.gz FTWTXRGPIWRTQV-SSDOTTSWSA-N 1 0 225.252 -0.139 20 5 BBBDRO [NH3+][C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614375 192881633 /nfs/dbraw/zinc/88/16/33/192881633.db2.gz YWTADSLGCNTDDI-MRVPVSSYSA-N 1 0 225.252 -0.176 20 5 BBBDRO [NH3+][C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614376 192881649 /nfs/dbraw/zinc/88/16/49/192881649.db2.gz YWTADSLGCNTDDI-QMMMGPOBSA-N 1 0 225.252 -0.176 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]([NH3+])C1 ZINC000430926158 192897883 /nfs/dbraw/zinc/89/78/83/192897883.db2.gz FTWTXRGPIWRTQV-ZETCQYMHSA-N 1 0 225.252 -0.139 20 5 BBBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000436749278 201336100 /nfs/dbraw/zinc/33/61/00/201336100.db2.gz JHKLGPSINQMJFW-BYPYZUCNSA-N 1 0 227.224 -0.297 20 5 BBBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000436819763 201338153 /nfs/dbraw/zinc/33/81/53/201338153.db2.gz JHKLGPSINQMJFW-SCSAIBSYSA-N 1 0 227.224 -0.297 20 5 BBBDRO C[NH2+]CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000440572264 387321733 /nfs/dbraw/zinc/32/17/33/387321733.db2.gz RHUVWOGLAALBNY-UHFFFAOYSA-N 1 0 227.224 -0.873 20 5 BBBDRO C[C@H](C[NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000441594696 201557624 /nfs/dbraw/zinc/55/76/24/201557624.db2.gz DYIPYMFEGPCRGP-SSDOTTSWSA-N 1 0 241.251 -0.498 20 5 BBBDRO C[C@@H](C[NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000441594703 201558345 /nfs/dbraw/zinc/55/83/45/201558345.db2.gz DYIPYMFEGPCRGP-ZETCQYMHSA-N 1 0 241.251 -0.498 20 5 BBBDRO C[C@H](C[NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000441609095 201559585 /nfs/dbraw/zinc/55/95/85/201559585.db2.gz DCGRQJPSWFQIID-SSDOTTSWSA-N 1 0 241.251 -0.498 20 5 BBBDRO C[C@@H](C[NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000441609097 387326601 /nfs/dbraw/zinc/32/66/01/387326601.db2.gz DCGRQJPSWFQIID-ZETCQYMHSA-N 1 0 241.251 -0.498 20 5 BBBDRO Cc1n[nH]c(C(=O)NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000441620659 387348070 /nfs/dbraw/zinc/34/80/70/387348070.db2.gz GGVSNDUOGJTDEB-RXMQYKEDSA-N 1 0 241.251 -0.049 20 5 BBBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000441620660 387348650 /nfs/dbraw/zinc/34/86/50/387348650.db2.gz GGVSNDUOGJTDEB-YFKPBYRVSA-N 1 0 241.251 -0.049 20 5 BBBDRO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[NH2+]1 ZINC000446437526 388732965 /nfs/dbraw/zinc/73/29/65/388732965.db2.gz JABGQZYNDUMWEW-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO O=[N+]([O-])c1cnn(CCNC2=[NH+]CCCN2)c1 ZINC000489470999 225473794 /nfs/dbraw/zinc/47/37/94/225473794.db2.gz ASNUUWVVNUKZGZ-UHFFFAOYSA-N 1 0 238.251 -0.270 20 5 BBBDRO CC(C)([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000515381341 384786018 /nfs/dbraw/zinc/78/60/18/384786018.db2.gz ICFMZZUZIIDFDM-UHFFFAOYSA-N 1 0 227.224 -0.215 20 5 BBBDRO [NH3+]CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000517143925 385232069 /nfs/dbraw/zinc/23/20/69/385232069.db2.gz GFYWVROUUZWHLO-UHFFFAOYSA-N 1 0 246.248 -0.773 20 5 BBBDRO C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000517231206 256819377 /nfs/dbraw/zinc/81/93/77/256819377.db2.gz VXKSMRVUURYEIY-ZETCQYMHSA-N 1 0 214.225 -0.238 20 5 BBBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000518373266 386365539 /nfs/dbraw/zinc/36/55/39/386365539.db2.gz SPYNMTQKIOWVJZ-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000518768404 386707640 /nfs/dbraw/zinc/70/76/40/386707640.db2.gz LIKAABGKYDQVSW-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO COC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000519543032 386517749 /nfs/dbraw/zinc/51/77/49/386517749.db2.gz SICQMUIOOGSPGH-VIFPVBQESA-N 1 0 244.251 -0.612 20 5 BBBDRO CC[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000519821601 386679034 /nfs/dbraw/zinc/67/90/34/386679034.db2.gz DFCAJESCZFQBNP-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO CC[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000519821667 386677229 /nfs/dbraw/zinc/67/72/29/386677229.db2.gz DFCAJESCZFQBNP-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO [NH3+]CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000520225684 386606804 /nfs/dbraw/zinc/60/68/04/386606804.db2.gz PGGJJLDXPNRDSZ-UHFFFAOYSA-N 1 0 201.157 -0.146 20 5 BBBDRO CN(CC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000522060197 398307514 /nfs/dbraw/zinc/30/75/14/398307514.db2.gz GTGJSLJILQEFAE-UHFFFAOYSA-N 1 0 213.241 -0.318 20 5 BBBDRO C[NH+](C)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548407522 325454250 /nfs/dbraw/zinc/45/42/50/325454250.db2.gz JJMOTPPMIYSSQM-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO C[NH+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548735951 388368138 /nfs/dbraw/zinc/36/81/38/388368138.db2.gz LFYACZLNILPZOA-UHFFFAOYSA-N 1 0 227.224 -0.391 20 5 BBBDRO CC[N@H+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554859995 584168431 /nfs/dbraw/zinc/16/84/31/584168431.db2.gz RDGDLBLSXUOFDB-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO C[NH+](C)C1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000554877244 325738964 /nfs/dbraw/zinc/73/89/64/325738964.db2.gz SICJXMPVDDDMCG-UHFFFAOYSA-N 1 0 239.235 -0.296 20 5 BBBDRO CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558757794 384273762 /nfs/dbraw/zinc/27/37/62/384273762.db2.gz NWQADBIEDCWHOX-UHFFFAOYSA-N 1 0 241.251 -0.049 20 5 BBBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561645042 323004805 /nfs/dbraw/zinc/00/48/05/323004805.db2.gz PQWWFFYGSQYWPF-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000562755516 323029900 /nfs/dbraw/zinc/02/99/00/323029900.db2.gz ROPJLLLRYXEKPP-UHFFFAOYSA-N 1 0 237.219 -0.495 20 5 BBBDRO [NH3+]CCCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000563089987 323091572 /nfs/dbraw/zinc/09/15/72/323091572.db2.gz HQHSWURZFISPFZ-UHFFFAOYSA-N 1 0 241.251 -0.354 20 5 BBBDRO CN(CC[NH3+])C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000563115575 323093375 /nfs/dbraw/zinc/09/33/75/323093375.db2.gz XGQDLKJTEOGPGA-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C[NH3+] ZINC000563216330 323103054 /nfs/dbraw/zinc/10/30/54/323103054.db2.gz XYHNLMSREBLIRL-SECBINFHSA-N 1 0 243.267 -0.957 20 5 BBBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C[NH3+] ZINC000563216331 323103068 /nfs/dbraw/zinc/10/30/68/323103068.db2.gz XYHNLMSREBLIRL-VIFPVBQESA-N 1 0 243.267 -0.957 20 5 BBBDRO CC(C)(C[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000563536306 323129023 /nfs/dbraw/zinc/12/90/23/323129023.db2.gz INKUGPYNNXBTRW-UHFFFAOYSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000563956545 323331085 /nfs/dbraw/zinc/33/10/85/323331085.db2.gz FGTGSXHAYGTYCP-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000564945744 384591499 /nfs/dbraw/zinc/59/14/99/384591499.db2.gz ODFNLSNGOPOTGH-UHFFFAOYSA-N 1 0 227.224 -0.343 20 5 BBBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000564948249 384590525 /nfs/dbraw/zinc/59/05/25/384590525.db2.gz AANYWLNQOBJLRC-ZCFIWIBFSA-N 1 0 239.235 -0.119 20 5 BBBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000564950086 384589403 /nfs/dbraw/zinc/58/94/03/384589403.db2.gz PBGHZBGXZYSTSB-LURJTMIESA-N 1 0 239.235 -0.215 20 5 BBBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000564950088 384590725 /nfs/dbraw/zinc/59/07/25/384590725.db2.gz PBGHZBGXZYSTSB-ZCFIWIBFSA-N 1 0 239.235 -0.215 20 5 BBBDRO CC(C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000564981203 322989098 /nfs/dbraw/zinc/98/90/98/322989098.db2.gz ILAMURULZWHKLR-UHFFFAOYSA-N 1 0 227.224 -0.215 20 5 BBBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000565537189 384662780 /nfs/dbraw/zinc/66/27/80/384662780.db2.gz AXYYOEAGYRORPL-SSDOTTSWSA-N 1 0 239.235 -0.215 20 5 BBBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000565537215 384662768 /nfs/dbraw/zinc/66/27/68/384662768.db2.gz AXYYOEAGYRORPL-ZETCQYMHSA-N 1 0 239.235 -0.215 20 5 BBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[NH2+]CC1 ZINC000565537345 384662909 /nfs/dbraw/zinc/66/29/09/384662909.db2.gz DJSJBSLHXJOONY-UHFFFAOYSA-N 1 0 239.235 -0.247 20 5 BBBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000565538058 325924386 /nfs/dbraw/zinc/92/43/86/325924386.db2.gz PZUFWCTVRVUWEK-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000566009395 384739471 /nfs/dbraw/zinc/73/94/71/384739471.db2.gz RBOGHIWOCBUXAS-CRCLSJGQSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000566009396 384738848 /nfs/dbraw/zinc/73/88/48/384738848.db2.gz RBOGHIWOCBUXAS-RFZPGFLSSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000566009397 384738818 /nfs/dbraw/zinc/73/88/18/384738818.db2.gz RBOGHIWOCBUXAS-UHNVWZDZSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000566009398 384739499 /nfs/dbraw/zinc/73/94/99/384739499.db2.gz RBOGHIWOCBUXAS-WHFBIAKZSA-N 1 0 227.224 -0.217 20 5 BBBDRO O=C(N[C@H]1CCC[NH2+]C1)c1[nH]ncc1[N+](=O)[O-] ZINC000566206451 326013032 /nfs/dbraw/zinc/01/30/32/326013032.db2.gz TXPJBJZIWHNEOY-LURJTMIESA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](C)[NH3+] ZINC000566214645 322970129 /nfs/dbraw/zinc/97/01/29/322970129.db2.gz LBTAIBQXQPUJFH-CRCLSJGQSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000566214646 385671499 /nfs/dbraw/zinc/67/14/99/385671499.db2.gz LBTAIBQXQPUJFH-RFZPGFLSSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000566214648 385671930 /nfs/dbraw/zinc/67/19/30/385671930.db2.gz LBTAIBQXQPUJFH-UHNVWZDZSA-N 1 0 227.224 -0.217 20 5 BBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000566214650 322970124 /nfs/dbraw/zinc/97/01/24/322970124.db2.gz LBTAIBQXQPUJFH-WHFBIAKZSA-N 1 0 227.224 -0.217 20 5 BBBDRO Cc1n[nH]c(C(=O)N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000566914433 326093534 /nfs/dbraw/zinc/09/35/34/326093534.db2.gz QROJLFJMTYQGSP-UHFFFAOYSA-N 1 0 227.224 -0.343 20 5 BBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000566975246 326099026 /nfs/dbraw/zinc/09/90/26/326099026.db2.gz XZVOLMNYGWSWGT-BQBZGAKWSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)[NH3+] ZINC000566975247 326098894 /nfs/dbraw/zinc/09/88/94/326098894.db2.gz XZVOLMNYGWSWGT-NKWVEPMBSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000566975248 326098937 /nfs/dbraw/zinc/09/89/37/326098937.db2.gz XZVOLMNYGWSWGT-RNFRBKRXSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000566975249 326099083 /nfs/dbraw/zinc/09/90/83/326099083.db2.gz XZVOLMNYGWSWGT-RQJHMYQMSA-N 1 0 241.251 -0.357 20 5 BBBDRO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000567350542 326171628 /nfs/dbraw/zinc/17/16/28/326171628.db2.gz MJLNCBVGXNHTIG-UHFFFAOYSA-N 1 0 226.192 -0.616 20 5 BBBDRO [NH3+]C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000567587040 326223290 /nfs/dbraw/zinc/22/32/90/326223290.db2.gz SHGLOZSTDNYMAS-LURJTMIESA-N 1 0 239.235 -0.215 20 5 BBBDRO [NH3+]C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000567587041 326223337 /nfs/dbraw/zinc/22/33/37/326223337.db2.gz SHGLOZSTDNYMAS-ZCFIWIBFSA-N 1 0 239.235 -0.215 20 5 BBBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000567587449 324188226 /nfs/dbraw/zinc/18/82/26/324188226.db2.gz KIFBCRVULATUBH-UHFFFAOYSA-N 1 0 213.197 -0.651 20 5 BBBDRO C[C@H]([NH3+])CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567611797 326229042 /nfs/dbraw/zinc/22/90/42/326229042.db2.gz LUIYXKPKXBUWNT-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000567612156 326229074 /nfs/dbraw/zinc/22/90/74/326229074.db2.gz AQDXKOZOVACURL-UHFFFAOYSA-N 1 0 240.219 -0.274 20 5 BBBDRO C[C@H](CC[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567732519 346786034 /nfs/dbraw/zinc/78/60/34/346786034.db2.gz ADIVCYLJHLUMQD-RXMQYKEDSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[C@@H](CC[NH3+])NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000567732520 346786512 /nfs/dbraw/zinc/78/65/12/346786512.db2.gz ADIVCYLJHLUMQD-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[NH2+]CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000567819178 323089057 /nfs/dbraw/zinc/08/90/57/323089057.db2.gz WPXBUWAMEYTKNT-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000567833970 326266234 /nfs/dbraw/zinc/26/62/34/326266234.db2.gz QDPUAJSMVOFNAG-UHFFFAOYSA-N 1 0 239.235 -0.247 20 5 BBBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1[nH]ncc1[N+](=O)[O-] ZINC000567834766 323091283 /nfs/dbraw/zinc/09/12/83/323091283.db2.gz ATYDLSJHQHIGSL-LURJTMIESA-N 1 0 239.235 -0.200 20 5 BBBDRO O=C(NC[C@H]1CCC[NH2+]1)c1[nH]ncc1[N+](=O)[O-] ZINC000567834767 323091306 /nfs/dbraw/zinc/09/13/06/323091306.db2.gz ATYDLSJHQHIGSL-ZCFIWIBFSA-N 1 0 239.235 -0.200 20 5 BBBDRO [NH3+][C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000567835817 326266605 /nfs/dbraw/zinc/26/66/05/326266605.db2.gz FPVHWGZOOUHOFT-ZCFIWIBFSA-N 1 0 239.235 -0.119 20 5 BBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])n1 ZINC000567845309 326268973 /nfs/dbraw/zinc/26/89/73/326268973.db2.gz SLULLIBXSMHOSJ-UHFFFAOYSA-N 1 0 241.251 -0.158 20 5 BBBDRO [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000568086394 326306181 /nfs/dbraw/zinc/30/61/81/326306181.db2.gz QZBUHZOHZQUOCP-UHFFFAOYSA-N 1 0 227.224 -0.213 20 5 BBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000568390718 326353118 /nfs/dbraw/zinc/35/31/18/326353118.db2.gz GHEYILRYJJBKLX-KCQQBQQISA-N 1 0 237.219 -0.735 20 5 BBBDRO [NH3+][C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000568509108 326361107 /nfs/dbraw/zinc/36/11/07/326361107.db2.gz DHLOAYSWEJDLLG-LURJTMIESA-N 1 0 239.235 -0.215 20 5 BBBDRO [NH3+][C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000568509109 326361091 /nfs/dbraw/zinc/36/10/91/326361091.db2.gz DHLOAYSWEJDLLG-ZCFIWIBFSA-N 1 0 239.235 -0.215 20 5 BBBDRO C[NH2+][C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000568663076 326371994 /nfs/dbraw/zinc/37/19/94/326371994.db2.gz RSMQEIIJAJUIHD-ZETCQYMHSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000568760825 326375536 /nfs/dbraw/zinc/37/55/36/326375536.db2.gz BMSAVRZXKOKHQN-WDSKDSINSA-N 1 0 239.235 -0.120 20 5 BBBDRO CN(CC[NH3+])C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000569361490 385985555 /nfs/dbraw/zinc/98/55/55/385985555.db2.gz CDIIINJMNHFIEX-UHFFFAOYSA-N 1 0 213.197 -0.651 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000569574990 322971001 /nfs/dbraw/zinc/97/10/01/322971001.db2.gz VNKZEGDBDQVPGO-SCSAIBSYSA-N 1 0 213.197 -0.605 20 5 BBBDRO CC[C@@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000569724660 323038945 /nfs/dbraw/zinc/03/89/45/323038945.db2.gz CFKKSUQOCNTIPQ-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO CC[C@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000569724661 323038877 /nfs/dbraw/zinc/03/88/77/323038877.db2.gz CFKKSUQOCNTIPQ-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[NH2+]C1 ZINC000569808968 323041426 /nfs/dbraw/zinc/04/14/26/323041426.db2.gz YYJYOUSIHSAYNZ-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[NH2+]C1 ZINC000569808969 323041506 /nfs/dbraw/zinc/04/15/06/323041506.db2.gz YYJYOUSIHSAYNZ-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]CCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000569809568 323041414 /nfs/dbraw/zinc/04/14/14/323041414.db2.gz NTFFXBVUYDTBOG-UHFFFAOYSA-N 1 0 227.224 -0.391 20 5 BBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000570161251 323051537 /nfs/dbraw/zinc/05/15/37/323051537.db2.gz GVEIUSPXWHJBAF-WDSKDSINSA-N 1 0 239.235 -0.120 20 5 BBBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000570449839 323059889 /nfs/dbraw/zinc/05/98/89/323059889.db2.gz FNEWBLZWJANQKR-UHFFFAOYSA-N 1 0 240.219 -0.226 20 5 BBBDRO C[NH2+]CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000570849981 323072455 /nfs/dbraw/zinc/07/24/55/323072455.db2.gz UFZTZQKSFAWOAJ-UHFFFAOYSA-N 1 0 227.268 -0.058 20 5 BBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[NH3+])c1 ZINC000570960217 323101554 /nfs/dbraw/zinc/10/15/54/323101554.db2.gz VABJKVYXGTZBQL-UHFFFAOYSA-N 1 0 241.203 -0.498 20 5 BBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000570967749 323102195 /nfs/dbraw/zinc/10/21/95/323102195.db2.gz PVQGZYSDPKTQIY-BQBZGAKWSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](C)[NH3+] ZINC000570967752 323102210 /nfs/dbraw/zinc/10/22/10/323102210.db2.gz PVQGZYSDPKTQIY-NKWVEPMBSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000570967753 323102194 /nfs/dbraw/zinc/10/21/94/323102194.db2.gz PVQGZYSDPKTQIY-RNFRBKRXSA-N 1 0 241.251 -0.357 20 5 BBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000570967754 323102246 /nfs/dbraw/zinc/10/22/46/323102246.db2.gz PVQGZYSDPKTQIY-RQJHMYQMSA-N 1 0 241.251 -0.357 20 5 BBBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1[nH]ncc1[N+](=O)[O-] ZINC000572156619 386548278 /nfs/dbraw/zinc/54/82/78/386548278.db2.gz TXPJBJZIWHNEOY-ZCFIWIBFSA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@H]1C[NH2+]CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000572402505 387399952 /nfs/dbraw/zinc/39/99/52/387399952.db2.gz SPYNMTQKIOWVJZ-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000573918453 364945518 /nfs/dbraw/zinc/94/55/18/364945518.db2.gz KBMCGJKEJQABBK-UHFFFAOYSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[NH2+]CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000574636089 365108062 /nfs/dbraw/zinc/10/80/62/365108062.db2.gz DOTYBFHMKMHVRF-UHFFFAOYSA-N 1 0 227.224 -0.343 20 5 BBBDRO C[C@H](C[NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000575747407 365350513 /nfs/dbraw/zinc/35/05/13/365350513.db2.gz VCDGEVXQAWMMKH-RXMQYKEDSA-N 1 0 227.224 -0.358 20 5 BBBDRO C[C@@H](C[NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000575747408 365350598 /nfs/dbraw/zinc/35/05/98/365350598.db2.gz VCDGEVXQAWMMKH-YFKPBYRVSA-N 1 0 227.224 -0.358 20 5 BBBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000576277488 365546904 /nfs/dbraw/zinc/54/69/04/365546904.db2.gz CCDIFAIBWGLANV-UHFFFAOYSA-N 1 0 239.235 -0.200 20 5 BBBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000576463720 365602248 /nfs/dbraw/zinc/60/22/48/365602248.db2.gz XTYRNZLVJJTXAR-RXMQYKEDSA-N 1 0 225.208 -0.509 20 5 BBBDRO O=[N+]([O-])c1cn(CCN2CC[NH2+]CC2)cn1 ZINC000577218783 365887012 /nfs/dbraw/zinc/88/70/12/365887012.db2.gz LCURFALSUIIRSL-UHFFFAOYSA-N 1 0 225.252 -0.304 20 5 BBBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000577279218 365914530 /nfs/dbraw/zinc/91/45/30/365914530.db2.gz FGTGSXHAYGTYCP-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]C[C@H](C)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000577509810 365974502 /nfs/dbraw/zinc/97/45/02/365974502.db2.gz CAKILCVIUQELCG-LURJTMIESA-N 1 0 241.251 -0.097 20 5 BBBDRO C[NH2+]C[C@@H](C)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000577509811 365973867 /nfs/dbraw/zinc/97/38/67/365973867.db2.gz CAKILCVIUQELCG-ZCFIWIBFSA-N 1 0 241.251 -0.097 20 5 BBBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000578236492 366465042 /nfs/dbraw/zinc/46/50/42/366465042.db2.gz WXMCEPRCUHWZDB-RXMQYKEDSA-N 1 0 240.219 -0.228 20 5 BBBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000578530734 366592389 /nfs/dbraw/zinc/59/23/89/366592389.db2.gz COSWODDDXBNXLB-UHFFFAOYSA-N 1 0 227.224 -0.391 20 5 BBBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])n[nH]1 ZINC000578748107 366637616 /nfs/dbraw/zinc/63/76/16/366637616.db2.gz JBCXJOAJKOSGBO-FBMACHJBSA-N 1 0 237.219 -0.735 20 5 BBBDRO COC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000579103707 366710137 /nfs/dbraw/zinc/71/01/37/366710137.db2.gz SICQMUIOOGSPGH-SECBINFHSA-N 1 0 244.251 -0.612 20 5 BBBDRO CC(C)([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579107580 366711695 /nfs/dbraw/zinc/71/16/95/366711695.db2.gz OOAONIOLQMRBHC-UHFFFAOYSA-N 1 0 241.251 -0.355 20 5 BBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]CC1 ZINC000579347248 366764394 /nfs/dbraw/zinc/76/43/94/366764394.db2.gz IAZBICPJMONQIP-UHFFFAOYSA-N 1 0 225.208 -0.637 20 5 BBBDRO O=[N+]([O-])c1ccnn1CCN1CC[NH2+]CC1 ZINC000579350080 366765912 /nfs/dbraw/zinc/76/59/12/366765912.db2.gz ZQWJAFGGVHOYMK-UHFFFAOYSA-N 1 0 225.252 -0.304 20 5 BBBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000579589290 366894204 /nfs/dbraw/zinc/89/42/04/366894204.db2.gz IQZHEEBWCJEJCR-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000579589291 366893982 /nfs/dbraw/zinc/89/39/82/366893982.db2.gz IQZHEEBWCJEJCR-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000579709965 366986943 /nfs/dbraw/zinc/98/69/43/366986943.db2.gz RPOXUSUDTJARGZ-UHFFFAOYSA-N 1 0 241.251 -0.001 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[NH3+] ZINC000579836864 367039019 /nfs/dbraw/zinc/03/90/19/367039019.db2.gz ZBDWNHTVXYKKRU-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO CC[NH2+]CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000579955957 367102293 /nfs/dbraw/zinc/10/22/93/367102293.db2.gz RCPUFVCKCFHKCX-UHFFFAOYSA-N 1 0 227.224 -0.343 20 5 BBBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC([NH3+])C1 ZINC000579956529 367102452 /nfs/dbraw/zinc/10/24/52/367102452.db2.gz KXNFZGKABDPPLL-UHFFFAOYSA-N 1 0 239.235 -0.120 20 5 BBBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000581071554 367252404 /nfs/dbraw/zinc/25/24/04/367252404.db2.gz RNJOZDCXSHNVKO-RXMQYKEDSA-N 1 0 227.224 -0.358 20 5 BBBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000581071556 367252825 /nfs/dbraw/zinc/25/28/25/367252825.db2.gz RNJOZDCXSHNVKO-YFKPBYRVSA-N 1 0 227.224 -0.358 20 5 BBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]1 ZINC000581806382 367828632 /nfs/dbraw/zinc/82/86/32/367828632.db2.gz BMYMMXKKLVAAIP-MRVPVSSYSA-N 1 0 239.235 -0.731 20 5 BBBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]1 ZINC000582484435 357317925 /nfs/dbraw/zinc/31/79/25/357317925.db2.gz GKMDOZHTBXSRQR-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000582605080 357347980 /nfs/dbraw/zinc/34/79/80/357347980.db2.gz XTYRNZLVJJTXAR-YFKPBYRVSA-N 1 0 225.208 -0.509 20 5 BBBDRO C[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000582963055 357438995 /nfs/dbraw/zinc/43/89/95/357438995.db2.gz JCNZPBVTRMHPFE-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000582963067 357439094 /nfs/dbraw/zinc/43/90/94/357439094.db2.gz JCNZPBVTRMHPFE-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000583082630 357474716 /nfs/dbraw/zinc/47/47/16/357474716.db2.gz LQPVNKNCPUSCQQ-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000583082631 357474386 /nfs/dbraw/zinc/47/43/86/357474386.db2.gz LQPVNKNCPUSCQQ-ZCFIWIBFSA-N 1 0 239.235 -0.248 20 5 BBBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000583811100 357955563 /nfs/dbraw/zinc/95/55/63/357955563.db2.gz BJGSQGMCSNLWDK-UHFFFAOYSA-N 1 0 240.219 -0.355 20 5 BBBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000583870653 358076345 /nfs/dbraw/zinc/07/63/45/358076345.db2.gz IYYDOOOEWFHKBU-UHFFFAOYSA-N 1 0 213.197 -0.604 20 5 BBBDRO CC[C@@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000583871440 358074023 /nfs/dbraw/zinc/07/40/23/358074023.db2.gz IDCLFKPMRDHSRE-RXMQYKEDSA-N 1 0 227.224 -0.215 20 5 BBBDRO CC[C@H]([NH3+])CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000583871441 358073930 /nfs/dbraw/zinc/07/39/30/358073930.db2.gz IDCLFKPMRDHSRE-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000584291081 344426006 /nfs/dbraw/zinc/42/60/06/344426006.db2.gz XYJIBBGMZSUCCZ-UHFFFAOYSA-N 1 0 239.235 -0.120 20 5 BBBDRO [NH3+]CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000584410678 357914240 /nfs/dbraw/zinc/91/42/40/357914240.db2.gz XLWRXUFSMAWIKD-UHFFFAOYSA-N 1 0 227.224 -0.744 20 5 BBBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000584838675 358198364 /nfs/dbraw/zinc/19/83/64/358198364.db2.gz ZXTOEHYPVUIZLQ-UHFFFAOYSA-N 1 0 213.197 -0.733 20 5 BBBDRO CN(CCC[NH3+])C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591679043 347685344 /nfs/dbraw/zinc/68/53/44/347685344.db2.gz ODNOOSJFLDUQNJ-UHFFFAOYSA-N 1 0 241.251 -0.402 20 5 BBBDRO C[C@H](C[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686690 347689571 /nfs/dbraw/zinc/68/95/71/347689571.db2.gz LVOUTLKFKZDHBQ-SSDOTTSWSA-N 1 0 241.251 -0.498 20 5 BBBDRO C[C@@H](C[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591686691 347689572 /nfs/dbraw/zinc/68/95/72/347689572.db2.gz LVOUTLKFKZDHBQ-ZETCQYMHSA-N 1 0 241.251 -0.498 20 5 BBBDRO NC(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756545 347690866 /nfs/dbraw/zinc/69/08/66/347690866.db2.gz CSHMMVXZGWZCML-UHFFFAOYSA-N 1 0 227.224 -0.744 20 5 BBBDRO C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756734 347691456 /nfs/dbraw/zinc/69/14/56/347691456.db2.gz VXKSMRVUURYEIY-SSDOTTSWSA-N 1 0 214.225 -0.238 20 5 BBBDRO O=c1ccc([N+](=O)[O-])cn1CC1C[NH2+]C1 ZINC000592156642 347745401 /nfs/dbraw/zinc/74/54/01/347745401.db2.gz PAVKVPWMOXVSIY-UHFFFAOYSA-N 1 0 209.205 -0.024 20 5 BBBDRO O=c1c([N+](=O)[O-])cccn1CC1C[NH2+]C1 ZINC000592158517 347746071 /nfs/dbraw/zinc/74/60/71/347746071.db2.gz KVDMYTLNLXHGSF-UHFFFAOYSA-N 1 0 209.205 -0.024 20 5 BBBDRO CC[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592223954 347762742 /nfs/dbraw/zinc/76/27/42/347762742.db2.gz MFGLVPFYQUTLKU-QMMMGPOBSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]1 ZINC000592242065 347762336 /nfs/dbraw/zinc/76/23/36/347762336.db2.gz GKMDOZHTBXSRQR-LURJTMIESA-N 1 0 239.235 -0.248 20 5 BBBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000592289903 347765440 /nfs/dbraw/zinc/76/54/40/347765440.db2.gz PTQNTHDEIJJZPM-YFKPBYRVSA-N 1 0 225.208 -0.590 20 5 BBBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000592295312 347765593 /nfs/dbraw/zinc/76/55/93/347765593.db2.gz JLVWRBYOBVAJMR-UHFFFAOYSA-N 1 0 239.235 -0.200 20 5 BBBDRO O=C(NCC[NH2+]C1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000592295497 347765442 /nfs/dbraw/zinc/76/54/42/347765442.db2.gz ZFUIKHHBWLFEDJ-UHFFFAOYSA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@H](C[NH3+])N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592296670 347765274 /nfs/dbraw/zinc/76/52/74/347765274.db2.gz HPFPPSQTCCQMTG-RXMQYKEDSA-N 1 0 227.224 -0.263 20 5 BBBDRO C[C@@H](C[NH3+])N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592296671 347765395 /nfs/dbraw/zinc/76/53/95/347765395.db2.gz HPFPPSQTCCQMTG-YFKPBYRVSA-N 1 0 227.224 -0.263 20 5 BBBDRO CN(CCC[NH3+])C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000592298134 347766043 /nfs/dbraw/zinc/76/60/43/347766043.db2.gz GBLWIOGBAZJNCU-UHFFFAOYSA-N 1 0 227.224 -0.261 20 5 BBBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592298737 347766201 /nfs/dbraw/zinc/76/62/01/347766201.db2.gz PNNNDBOKYUDMSZ-UHFFFAOYSA-N 1 0 227.224 -0.261 20 5 BBBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000592317511 347766180 /nfs/dbraw/zinc/76/61/80/347766180.db2.gz KFTUKBZEMQYCJS-UHFFFAOYSA-N 1 0 225.208 -0.733 20 5 BBBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592332377 347767873 /nfs/dbraw/zinc/76/78/73/347767873.db2.gz WATPYDKYKGYKNE-RXMQYKEDSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592332378 347767923 /nfs/dbraw/zinc/76/79/23/347767923.db2.gz WATPYDKYKGYKNE-YFKPBYRVSA-N 1 0 227.224 -0.215 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592333490 347768348 /nfs/dbraw/zinc/76/83/48/347768348.db2.gz IFJLKQDPVRUXJR-SSDOTTSWSA-N 1 0 241.251 -0.355 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592333493 347768326 /nfs/dbraw/zinc/76/83/26/347768326.db2.gz IFJLKQDPVRUXJR-ZETCQYMHSA-N 1 0 241.251 -0.355 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[NH3+] ZINC000592333603 347768480 /nfs/dbraw/zinc/76/84/80/347768480.db2.gz LFJIEEUMJBHSCO-LURJTMIESA-N 1 0 241.251 -0.437 20 5 BBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[NH3+] ZINC000592333608 347768422 /nfs/dbraw/zinc/76/84/22/347768422.db2.gz LFJIEEUMJBHSCO-ZCFIWIBFSA-N 1 0 241.251 -0.437 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592333849 347768510 /nfs/dbraw/zinc/76/85/10/347768510.db2.gz VEXLMEUZFKGQEG-BYPYZUCNSA-N 1 0 213.197 -0.605 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592333851 347768382 /nfs/dbraw/zinc/76/83/82/347768382.db2.gz VEXLMEUZFKGQEG-SCSAIBSYSA-N 1 0 213.197 -0.605 20 5 BBBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000592333887 347768429 /nfs/dbraw/zinc/76/84/29/347768429.db2.gz WMPHDYGKVLEYKN-BYPYZUCNSA-N 1 0 227.224 -0.297 20 5 BBBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000592334064 347768534 /nfs/dbraw/zinc/76/85/34/347768534.db2.gz WMPHDYGKVLEYKN-SCSAIBSYSA-N 1 0 227.224 -0.297 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592334076 347768434 /nfs/dbraw/zinc/76/84/34/347768434.db2.gz XKGUGTMSDLEEBX-RXMQYKEDSA-N 1 0 240.219 -0.228 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592334078 347768473 /nfs/dbraw/zinc/76/84/73/347768473.db2.gz XKGUGTMSDLEEBX-YFKPBYRVSA-N 1 0 240.219 -0.228 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000592546918 347799284 /nfs/dbraw/zinc/79/92/84/347799284.db2.gz LEBKLVFEFFICQZ-LURJTMIESA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000592546919 347799438 /nfs/dbraw/zinc/79/94/38/347799438.db2.gz LEBKLVFEFFICQZ-ZCFIWIBFSA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000592547206 347800002 /nfs/dbraw/zinc/80/00/02/347800002.db2.gz SSMVVROIIRXKAX-LURJTMIESA-N 1 0 227.224 -0.745 20 5 BBBDRO C[C@@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000592547207 347800045 /nfs/dbraw/zinc/80/00/45/347800045.db2.gz SSMVVROIIRXKAX-ZCFIWIBFSA-N 1 0 227.224 -0.745 20 5 BBBDRO O=[N+]([O-])c1ccnn1C[C@H]1C[NH2+]CCO1 ZINC000594698524 348101711 /nfs/dbraw/zinc/10/17/11/348101711.db2.gz KSOIISITNKCTHS-SSDOTTSWSA-N 1 0 212.209 -0.220 20 5 BBBDRO O=[N+]([O-])c1ccnn1C[C@@H]1C[NH2+]CCO1 ZINC000594698527 348101877 /nfs/dbraw/zinc/10/18/77/348101877.db2.gz KSOIISITNKCTHS-ZETCQYMHSA-N 1 0 212.209 -0.220 20 5 BBBDRO O=c1ccc([N+](=O)[O-])cn1C[C@H]1C[NH2+]CCO1 ZINC000594699180 348101567 /nfs/dbraw/zinc/10/15/67/348101567.db2.gz QVYXTKBNOYFTHU-SECBINFHSA-N 1 0 239.231 -0.255 20 5 BBBDRO O=c1ccc([N+](=O)[O-])cn1C[C@@H]1C[NH2+]CCO1 ZINC000594699183 348101721 /nfs/dbraw/zinc/10/17/21/348101721.db2.gz QVYXTKBNOYFTHU-VIFPVBQESA-N 1 0 239.231 -0.255 20 5 BBBDRO O=c1c([N+](=O)[O-])cccn1C[C@H]1C[NH2+]CCO1 ZINC000594699325 348101610 /nfs/dbraw/zinc/10/16/10/348101610.db2.gz TULSDCNWYCVRTF-MRVPVSSYSA-N 1 0 239.231 -0.255 20 5 BBBDRO O=c1c([N+](=O)[O-])cccn1C[C@@H]1C[NH2+]CCO1 ZINC000594699326 348101953 /nfs/dbraw/zinc/10/19/53/348101953.db2.gz TULSDCNWYCVRTF-QMMMGPOBSA-N 1 0 239.231 -0.255 20 5 BBBDRO O=[N+]([O-])c1cn(C[C@H]2C[NH2+]CCO2)cn1 ZINC000594699331 348102004 /nfs/dbraw/zinc/10/20/04/348102004.db2.gz TVUCVHXQKQYVIE-SSDOTTSWSA-N 1 0 212.209 -0.220 20 5 BBBDRO O=[N+]([O-])c1cn(C[C@@H]2C[NH2+]CCO2)cn1 ZINC000594699332 348101738 /nfs/dbraw/zinc/10/17/38/348101738.db2.gz TVUCVHXQKQYVIE-ZETCQYMHSA-N 1 0 212.209 -0.220 20 5 BBBDRO [NH3+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595111926 348197588 /nfs/dbraw/zinc/19/75/88/348197588.db2.gz YJZCKPITCCDFIX-UHFFFAOYSA-N 1 0 246.248 -0.773 20 5 BBBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1(O)C[NH2+]C1 ZINC000595924502 348402317 /nfs/dbraw/zinc/40/23/17/348402317.db2.gz LGSCHCUYWOHGOP-UHFFFAOYSA-N 1 0 237.215 -0.132 20 5 BBBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000595983289 348418153 /nfs/dbraw/zinc/41/81/53/348418153.db2.gz MBBLGBMZFPHERW-RXMQYKEDSA-N 1 0 227.224 -0.344 20 5 BBBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000595983290 348418259 /nfs/dbraw/zinc/41/82/59/348418259.db2.gz MBBLGBMZFPHERW-YFKPBYRVSA-N 1 0 227.224 -0.344 20 5 BBBDRO C[NH2+]C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000595984559 348418111 /nfs/dbraw/zinc/41/81/11/348418111.db2.gz VLAYIGHJRVWHBH-SSDOTTSWSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+]C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000595984560 348418849 /nfs/dbraw/zinc/41/88/49/348418849.db2.gz VLAYIGHJRVWHBH-ZETCQYMHSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000595984600 348419392 /nfs/dbraw/zinc/41/93/92/348419392.db2.gz WRUHMPTZFVUGMW-RXMQYKEDSA-N 1 0 241.251 -0.036 20 5 BBBDRO C[NH2+]C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000595984601 348418798 /nfs/dbraw/zinc/41/87/98/348418798.db2.gz WRUHMPTZFVUGMW-YFKPBYRVSA-N 1 0 241.251 -0.036 20 5 BBBDRO C[NH2+]C[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000595984956 348419220 /nfs/dbraw/zinc/41/92/20/348419220.db2.gz YVLZGNOANDRJPT-SSDOTTSWSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+]C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000595984957 348419150 /nfs/dbraw/zinc/41/91/50/348419150.db2.gz YVLZGNOANDRJPT-ZETCQYMHSA-N 1 0 241.251 -0.485 20 5 BBBDRO C[NH2+]C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000595985089 348418817 /nfs/dbraw/zinc/41/88/17/348418817.db2.gz VRZCYRFEXLDCND-RXMQYKEDSA-N 1 0 227.224 -0.344 20 5 BBBDRO C[NH2+]C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000595985090 348418896 /nfs/dbraw/zinc/41/88/96/348418896.db2.gz VRZCYRFEXLDCND-YFKPBYRVSA-N 1 0 227.224 -0.344 20 5 BBBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]C1 ZINC000595991777 348421029 /nfs/dbraw/zinc/42/10/29/348421029.db2.gz KKIKPRIDQMOOGQ-SECBINFHSA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]C1 ZINC000595991778 348420753 /nfs/dbraw/zinc/42/07/53/348420753.db2.gz KKIKPRIDQMOOGQ-VIFPVBQESA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992850 348421574 /nfs/dbraw/zinc/42/15/74/348421574.db2.gz SVHLYZGFKGCEBP-SECBINFHSA-N 1 0 239.235 -0.200 20 5 BBBDRO C[C@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992851 348421467 /nfs/dbraw/zinc/42/14/67/348421467.db2.gz SVHLYZGFKGCEBP-VIFPVBQESA-N 1 0 239.235 -0.200 20 5 BBBDRO Nc1ccc(N[C@H]2CC[NH2+]C2)nc1[N+](=O)[O-] ZINC000596012898 412302655 /nfs/dbraw/zinc/30/26/55/412302655.db2.gz CCFMZLNCCHTJAU-LURJTMIESA-N 1 0 223.236 0.346 20 5 BBBDRO Nc1ccc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1[N+](=O)[O-] ZINC000596013215 412303897 /nfs/dbraw/zinc/30/38/97/412303897.db2.gz FBIAJOASDJJQPQ-KPCSLPGQSA-N 1 0 235.247 0.202 20 5 BBBDRO Nc1ccc(NC2C[NH2+]C2)nc1[N+](=O)[O-] ZINC000596014034 412303679 /nfs/dbraw/zinc/30/36/79/412303679.db2.gz KXCNJYHYDLYXKS-UHFFFAOYSA-N 1 0 209.209 -0.044 20 5 BBBDRO C[C@@H]([NH3+])CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596014054 411820919 /nfs/dbraw/zinc/82/09/19/411820919.db2.gz LOCOHZSHKGMDAU-RXMQYKEDSA-N 1 0 211.225 0.331 20 5 BBBDRO C[C@H]([NH3+])CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596014055 410742685 /nfs/dbraw/zinc/74/26/85/410742685.db2.gz LOCOHZSHKGMDAU-YFKPBYRVSA-N 1 0 211.225 0.331 20 5 BBBDRO Nc1ccc(N[C@@H]2CC[NH2+]C2)nc1[N+](=O)[O-] ZINC000596015340 411177998 /nfs/dbraw/zinc/17/79/98/411177998.db2.gz CCFMZLNCCHTJAU-ZCFIWIBFSA-N 1 0 223.236 0.346 20 5 BBBDRO Nc1ccc(N2CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC000596016061 348431215 /nfs/dbraw/zinc/43/12/15/348431215.db2.gz OOEILXTZXZTYJF-UHFFFAOYSA-N 1 0 223.236 -0.018 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)C[NH+](C)C ZINC000596243004 348485172 /nfs/dbraw/zinc/48/51/72/348485172.db2.gz IVBKBJCAHPZSHC-SSDOTTSWSA-N 1 0 243.267 -0.337 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1N[C@H](CO)C[NH+](C)C ZINC000596243005 348485127 /nfs/dbraw/zinc/48/51/27/348485127.db2.gz IVBKBJCAHPZSHC-ZETCQYMHSA-N 1 0 243.267 -0.337 20 5 BBBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cn1 ZINC000596243368 348485092 /nfs/dbraw/zinc/48/50/92/348485092.db2.gz KLTPZKPVCUDYMO-SSDOTTSWSA-N 1 0 241.251 -0.281 20 5 BBBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cn1 ZINC000596243369 348485213 /nfs/dbraw/zinc/48/52/13/348485213.db2.gz KLTPZKPVCUDYMO-ZETCQYMHSA-N 1 0 241.251 -0.281 20 5 BBBDRO C[NH+](C)C[C@H](CO)Nc1ccncc1[N+](=O)[O-] ZINC000596244013 348485113 /nfs/dbraw/zinc/48/51/13/348485113.db2.gz NSKURJCEWGBPMD-MRVPVSSYSA-N 1 0 240.263 -0.254 20 5 BBBDRO C[NH+](C)C[C@@H](CO)Nc1ccncc1[N+](=O)[O-] ZINC000596244014 348485190 /nfs/dbraw/zinc/48/51/90/348485190.db2.gz NSKURJCEWGBPMD-QMMMGPOBSA-N 1 0 240.263 -0.254 20 5 BBBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000597802468 348822390 /nfs/dbraw/zinc/82/23/90/348822390.db2.gz ABFVMUBMEFLGGH-LURJTMIESA-N 1 0 241.251 -0.002 20 5 BBBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000601326405 371748478 /nfs/dbraw/zinc/74/84/78/371748478.db2.gz DKKOJCXTZQJBPZ-IUCAKERBSA-N 1 0 237.263 -0.163 20 5 BBBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000601327777 347214113 /nfs/dbraw/zinc/21/41/13/347214113.db2.gz XGGMLRVSAXGBQD-IUCAKERBSA-N 1 0 237.263 -0.163 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3C[C@@]3(O)C2)n1 ZINC000603088451 371868078 /nfs/dbraw/zinc/86/80/78/371868078.db2.gz NCLYYURGYVBMAD-PSASIEDQSA-N 1 0 238.247 -0.142 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[C@]3(O)C2)n1 ZINC000603088464 371867668 /nfs/dbraw/zinc/86/76/68/371867668.db2.gz NCLYYURGYVBMAD-WPRPVWTQSA-N 1 0 238.247 -0.142 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603091588 371868120 /nfs/dbraw/zinc/86/81/20/371868120.db2.gz SKGBTGVQPJJVTM-PSASIEDQSA-N 1 0 238.247 -0.142 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603091618 371868273 /nfs/dbraw/zinc/86/82/73/371868273.db2.gz SKGBTGVQPJJVTM-WPRPVWTQSA-N 1 0 238.247 -0.142 20 5 BBBDRO Cn1cc(CN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000603427071 344521489 /nfs/dbraw/zinc/52/14/89/344521489.db2.gz ALUGRUXRJACGJT-UHFFFAOYSA-N 1 0 225.252 -0.267 20 5 BBBDRO Cn1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])n1 ZINC000603427201 371894037 /nfs/dbraw/zinc/89/40/37/371894037.db2.gz CGMFBVMNHJTDAZ-IUCAKERBSA-N 1 0 237.263 -0.126 20 5 BBBDRO CN(CC[NH3+])Cc1cn(C)nc1[N+](=O)[O-] ZINC000603428319 344521225 /nfs/dbraw/zinc/52/12/25/344521225.db2.gz HOJSCMUAVXGXTJ-UHFFFAOYSA-N 1 0 213.241 -0.281 20 5 BBBDRO Cn1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429652 371895680 /nfs/dbraw/zinc/89/56/80/371895680.db2.gz OAFFCAWHQGFJQK-MRVPVSSYSA-N 1 0 225.252 -0.139 20 5 BBBDRO Cn1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429653 371895242 /nfs/dbraw/zinc/89/52/42/371895242.db2.gz OAFFCAWHQGFJQK-QMMMGPOBSA-N 1 0 225.252 -0.139 20 5 BBBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000603430122 371895430 /nfs/dbraw/zinc/89/54/30/371895430.db2.gz STDBPHBLSQGPAW-UHFFFAOYSA-N 1 0 225.252 -0.268 20 5 BBBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC000619786034 370593292 /nfs/dbraw/zinc/59/32/92/370593292.db2.gz ABFVMUBMEFLGGH-ZCFIWIBFSA-N 1 0 241.251 -0.002 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000700907006 712010011 /nfs/dbraw/zinc/01/00/11/712010011.db2.gz WXMCEPRCUHWZDB-YFKPBYRVSA-N 1 0 240.219 -0.228 20 5 BBBDRO C[NH+](C)C[C@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000717367366 712652704 /nfs/dbraw/zinc/65/27/04/712652704.db2.gz RGHPVCLVWHYNCK-MRVPVSSYSA-N 1 0 240.263 -0.254 20 5 BBBDRO C[NH+](C)C[C@@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000717367367 712652411 /nfs/dbraw/zinc/65/24/11/712652411.db2.gz RGHPVCLVWHYNCK-QMMMGPOBSA-N 1 0 240.263 -0.254 20 5 BBBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])cn1 ZINC000717375560 712652558 /nfs/dbraw/zinc/65/25/58/712652558.db2.gz JMQOYYLETNEASD-MRVPVSSYSA-N 1 0 241.251 -0.281 20 5 BBBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cn1 ZINC000717375562 712652634 /nfs/dbraw/zinc/65/26/34/712652634.db2.gz JMQOYYLETNEASD-QMMMGPOBSA-N 1 0 241.251 -0.281 20 5 BBBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[N+](=O)[O-] ZINC000791051310 712422348 /nfs/dbraw/zinc/42/23/48/712422348.db2.gz AMXSWPORXPOFPH-HTQZYQBOSA-N 1 0 215.253 -0.151 20 5 BBBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[N+](=O)[O-] ZINC000791051313 712422191 /nfs/dbraw/zinc/42/21/91/712422191.db2.gz AMXSWPORXPOFPH-JGVFFNPUSA-N 1 0 215.253 -0.151 20 5 BBBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[N+](=O)[O-] ZINC000791051314 712422182 /nfs/dbraw/zinc/42/21/82/712422182.db2.gz AMXSWPORXPOFPH-SFYZADRCSA-N 1 0 215.253 -0.151 20 5 BBBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[N+](=O)[O-] ZINC000791051316 712422232 /nfs/dbraw/zinc/42/22/32/712422232.db2.gz AMXSWPORXPOFPH-YUMQZZPRSA-N 1 0 215.253 -0.151 20 5 BBBDRO CN(CC[N+](=O)[O-])CCN1CCOCC1 ZINC000791052460 585972757 /nfs/dbraw/zinc/97/27/57/585972757.db2.gz OFXONQFMQQRPCS-UHFFFAOYSA-N 1 0 217.269 -0.473 20 5 BBBDRO CC(=O)N1CCCN(CC[N+](=O)[O-])CC1 ZINC000791052773 585972807 /nfs/dbraw/zinc/97/28/07/585972807.db2.gz CTZRSGIPRDMFAF-UHFFFAOYSA-N 1 0 215.253 -0.183 20 5 BBBDRO CCOCC[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791052996 585972600 /nfs/dbraw/zinc/97/26/00/585972600.db2.gz RAYAHXZQBZKFGB-UHFFFAOYSA-N 1 0 231.296 -0.083 20 5 BBBDRO CC[C@@H](CO)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053030 583385448 /nfs/dbraw/zinc/38/54/48/583385448.db2.gz RXVPYSAPPBAFFH-JTQLQIEISA-N 1 0 231.296 -0.348 20 5 BBBDRO CC[C@H](CO)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053031 583385129 /nfs/dbraw/zinc/38/51/29/583385129.db2.gz RXVPYSAPPBAFFH-SNVBAGLBSA-N 1 0 231.296 -0.348 20 5 BBBDRO COCC[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053079 585972672 /nfs/dbraw/zinc/97/26/72/585972672.db2.gz HNTQEULVVQGQNF-UHFFFAOYSA-N 1 0 217.269 -0.473 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000791054173 585973331 /nfs/dbraw/zinc/97/33/31/585973331.db2.gz YHBQBSDIELARBT-LLVKDONJSA-N 1 0 243.307 -0.083 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000791054175 585973060 /nfs/dbraw/zinc/97/30/60/585973060.db2.gz YHBQBSDIELARBT-NSHDSACASA-N 1 0 243.307 -0.083 20 5 BBBDRO CC[NH2+]CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000818609055 586906072 /nfs/dbraw/zinc/90/60/72/586906072.db2.gz PVDNNYGBDJQDHN-UHFFFAOYSA-N 1 0 241.251 -0.483 20 5 BBBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000834522727 645143127 /nfs/dbraw/zinc/14/31/27/645143127.db2.gz UKRHXNVAOICJQR-RKDXNWHRSA-N 1 0 239.275 -0.184 20 5 BBBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000834618850 587761380 /nfs/dbraw/zinc/76/13/80/587761380.db2.gz VNKZEGDBDQVPGO-BYPYZUCNSA-N 1 0 213.197 -0.605 20 5 BBBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839520524 644558948 /nfs/dbraw/zinc/55/89/48/644558948.db2.gz TWBHHHVEKPPBKO-BWZBUEFSSA-N 1 0 215.253 -0.282 20 5 BBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+](C)C ZINC000839520526 644559233 /nfs/dbraw/zinc/55/92/33/644559233.db2.gz TWBHHHVEKPPBKO-XLPZGREQSA-N 1 0 215.253 -0.282 20 5 BBBDRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839570954 585330551 /nfs/dbraw/zinc/33/05/51/585330551.db2.gz MHXGJIAALLPXBC-DJLDLDEBSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839570955 585330635 /nfs/dbraw/zinc/33/06/35/585330635.db2.gz MHXGJIAALLPXBC-IWSPIJDZSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839576266 585330497 /nfs/dbraw/zinc/33/04/97/585330497.db2.gz NLIFGPDCTXYYQW-RKDXNWHRSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839579607 585331071 /nfs/dbraw/zinc/33/10/71/585331071.db2.gz IMUDDOVHIUITQI-DJLDLDEBSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839579609 585330944 /nfs/dbraw/zinc/33/09/44/585330944.db2.gz IMUDDOVHIUITQI-IWSPIJDZSA-N 1 0 227.264 -0.138 20 5 BBBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839629553 585332682 /nfs/dbraw/zinc/33/26/82/585332682.db2.gz MPZSHAWUQHFHRB-RKDXNWHRSA-N 1 0 245.279 -0.654 20 5 BBBDRO O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839711251 585337907 /nfs/dbraw/zinc/33/79/07/585337907.db2.gz UIKOCRFFZQBEGG-HTQZYQBOSA-N 1 0 213.237 -0.527 20 5 BBBDRO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839717399 585338262 /nfs/dbraw/zinc/33/82/62/585338262.db2.gz VDNNDLSBVJHOTJ-HTQZYQBOSA-N 1 0 213.237 -0.576 20 5 BBBDRO C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721256 585338754 /nfs/dbraw/zinc/33/87/54/585338754.db2.gz PENWQTQKKIBRSA-RKDXNWHRSA-N 1 0 245.279 -0.654 20 5 BBBDRO CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839728262 585338927 /nfs/dbraw/zinc/33/89/27/585338927.db2.gz LLJPMPKKAMEKIB-RKDXNWHRSA-N 1 0 245.279 -0.918 20 5 BBBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839764440 585338988 /nfs/dbraw/zinc/33/89/88/585338988.db2.gz BLIRPGZGUBQSKG-XLPZGREQSA-N 1 0 215.253 -0.282 20 5 BBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+](C)C ZINC000839778057 585341269 /nfs/dbraw/zinc/34/12/69/585341269.db2.gz VHICTJDRZZAYTN-DJLDLDEBSA-N 1 0 229.280 -0.035 20 5 BBBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C[NH+](C)C ZINC000839778079 585341272 /nfs/dbraw/zinc/34/12/72/585341272.db2.gz VHICTJDRZZAYTN-IWSPIJDZSA-N 1 0 229.280 -0.035 20 5 BBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839778677 585341308 /nfs/dbraw/zinc/34/13/08/585341308.db2.gz YUHKYXKYUOWCIH-JLIMGVALSA-N 1 0 239.275 -0.186 20 5 BBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 ZINC000839778681 585341534 /nfs/dbraw/zinc/34/15/34/585341534.db2.gz YUHKYXKYUOWCIH-KYXWUPHJSA-N 1 0 239.275 -0.186 20 5 BBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@@H]2C1 ZINC000839778684 585341410 /nfs/dbraw/zinc/34/14/10/585341410.db2.gz YUHKYXKYUOWCIH-SGIHWFKDSA-N 1 0 239.275 -0.186 20 5 BBBDRO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@@H]2C1 ZINC000839778687 585341300 /nfs/dbraw/zinc/34/13/00/585341300.db2.gz YUHKYXKYUOWCIH-ZYUZMQFOSA-N 1 0 239.275 -0.186 20 5 BBBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 ZINC000839782489 585341692 /nfs/dbraw/zinc/34/16/92/585341692.db2.gz IHQFEXLFPMFCCO-KYXWUPHJSA-N 1 0 239.275 -0.186 20 5 BBBDRO O=C(OCCN1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671438 587915561 /nfs/dbraw/zinc/91/55/61/587915561.db2.gz UYFDNEGHXGLPBO-RKDXNWHRSA-N 1 0 244.247 -0.473 20 5 BBBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000841454981 587955266 /nfs/dbraw/zinc/95/52/66/587955266.db2.gz ZZZCEHDZUYCVDM-HTQZYQBOSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[NH+]1CCC(O[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000846651687 588281013 /nfs/dbraw/zinc/28/10/13/588281013.db2.gz SMHOAZCBCVURNY-RKDXNWHRSA-N 1 0 243.263 -0.206 20 5 BBBDRO C[NH+](C)CC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000854721659 588804103 /nfs/dbraw/zinc/80/41/03/588804103.db2.gz IPTZEOIQMKUCFX-RKDXNWHRSA-N 1 0 227.264 -0.328 20 5 BBBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000854945444 588817963 /nfs/dbraw/zinc/81/79/63/588817963.db2.gz QLJNKQONHMCDHF-UHFFFAOYSA-N 1 0 243.223 -0.459 20 5 BBBDRO C[NH+](C)CCONC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000854945907 588817789 /nfs/dbraw/zinc/81/77/89/588817789.db2.gz VGXVUMHFYDKILA-UHFFFAOYSA-N 1 0 243.223 -0.459 20 5 BBBDRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855641914 588843161 /nfs/dbraw/zinc/84/31/61/588843161.db2.gz RRXWRGROPWIJTC-RKDXNWHRSA-N 1 0 227.264 -0.328 20 5 BBBDRO C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000857227551 583135429 /nfs/dbraw/zinc/13/54/29/583135429.db2.gz PRUPLYQWNYZYGZ-GEPGNKONSA-N 1 0 227.264 -0.140 20 5 BBBDRO O=C(OCC[NH+]1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861390553 589164320 /nfs/dbraw/zinc/16/43/20/589164320.db2.gz HRPLJMVGVNRCAF-HTQZYQBOSA-N 1 0 214.221 -0.100 20 5 BBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC000861912351 589182970 /nfs/dbraw/zinc/18/29/70/589182970.db2.gz QHCSLZQXPJCEQP-SPFKKGSWSA-N 1 0 239.275 -0.330 20 5 BBBDRO C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000863922701 589326903 /nfs/dbraw/zinc/32/69/03/589326903.db2.gz YUHBIGGMQGJBFE-HTQZYQBOSA-N 1 0 227.264 -0.090 20 5 BBBDRO CC(C)(Cn1cc(CC[NH3+])nn1)[N+](=O)[O-] ZINC000864642803 589387434 /nfs/dbraw/zinc/38/74/34/589387434.db2.gz WAIHWPQPEFTLFE-UHFFFAOYSA-N 1 0 213.241 -0.165 20 5 BBBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1ncc([N+](=O)[O-])n1 ZINC000871986509 589853367 /nfs/dbraw/zinc/85/33/67/589853367.db2.gz GYTQSUWPCMYJNA-MRVPVSSYSA-N 1 0 243.267 -0.113 20 5 BBBDRO CC(C)[N@H+](C)C[C@H](O)Cn1ncc([N+](=O)[O-])n1 ZINC000871986510 589853851 /nfs/dbraw/zinc/85/38/51/589853851.db2.gz GYTQSUWPCMYJNA-QMMMGPOBSA-N 1 0 243.267 -0.113 20 5 BBBDRO CC[N@H+](C)C[C@@H](O)Cn1ncc([N+](=O)[O-])n1 ZINC000871987685 589853729 /nfs/dbraw/zinc/85/37/29/589853729.db2.gz UYOVSAFFFHDIOU-SSDOTTSWSA-N 1 0 229.240 -0.501 20 5 BBBDRO CC[N@H+](C)C[C@H](O)Cn1ncc([N+](=O)[O-])n1 ZINC000871987686 589853346 /nfs/dbraw/zinc/85/33/46/589853346.db2.gz UYOVSAFFFHDIOU-ZETCQYMHSA-N 1 0 229.240 -0.501 20 5 BBBDRO C[N@H+](C[C@@H](O)Cn1ncc([N+](=O)[O-])n1)C1CC1 ZINC000871987815 589853332 /nfs/dbraw/zinc/85/33/32/589853332.db2.gz YOADUCXTETVNRB-MRVPVSSYSA-N 1 0 241.251 -0.359 20 5 BBBDRO C[N@H+](C[C@H](O)Cn1ncc([N+](=O)[O-])n1)C1CC1 ZINC000871987816 589853898 /nfs/dbraw/zinc/85/38/98/589853898.db2.gz YOADUCXTETVNRB-QMMMGPOBSA-N 1 0 241.251 -0.359 20 5 BBBDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882492834 591372739 /nfs/dbraw/zinc/37/27/39/591372739.db2.gz CBVALVYCLDSJAR-DJLDLDEBSA-N 1 0 227.264 -0.138 20 5 BBBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882492836 591373576 /nfs/dbraw/zinc/37/35/76/591373576.db2.gz CBVALVYCLDSJAR-IWSPIJDZSA-N 1 0 227.264 -0.138 20 5 BBBDRO C[NH2+]CCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000883428716 591659981 /nfs/dbraw/zinc/65/99/81/591659981.db2.gz BDLHYCDWSCGTPM-UHFFFAOYSA-N 1 0 227.268 -0.021 20 5 BBBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)CCO ZINC000884823729 592023139 /nfs/dbraw/zinc/02/31/39/592023139.db2.gz BNYBDVLTXPMEIC-UHFFFAOYSA-N 1 0 243.267 -0.336 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](O)C[NH+](C)C ZINC000891746300 582716195 /nfs/dbraw/zinc/71/61/95/582716195.db2.gz SJSZLRAQPVFWMG-SSDOTTSWSA-N 1 0 243.267 -0.337 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](O)C[NH+](C)C ZINC000891746312 582716159 /nfs/dbraw/zinc/71/61/59/582716159.db2.gz SJSZLRAQPVFWMG-ZETCQYMHSA-N 1 0 243.267 -0.337 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000891930704 582739728 /nfs/dbraw/zinc/73/97/28/582739728.db2.gz ZESWKETYXRGGKY-HTQZYQBOSA-N 1 0 237.263 -0.016 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000891930705 582739915 /nfs/dbraw/zinc/73/99/15/582739915.db2.gz ZESWKETYXRGGKY-OCAPTIKFSA-N 1 0 237.263 -0.016 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000891930707 582739996 /nfs/dbraw/zinc/73/99/96/582739996.db2.gz ZESWKETYXRGGKY-YUMQZZPRSA-N 1 0 237.263 -0.016 20 5 BBBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@H+](C)CCO ZINC000895240749 636126815 /nfs/dbraw/zinc/12/68/15/636126815.db2.gz NTLKRTOIGDYIJK-UHFFFAOYSA-N 1 0 243.267 -0.336 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898601588 584145741 /nfs/dbraw/zinc/14/57/41/584145741.db2.gz PSRQPTQAVWHSJM-NXEZZACHSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCCN1CCOCC1 ZINC000899855823 584243189 /nfs/dbraw/zinc/24/31/89/584243189.db2.gz JUEXZBQAHZXBKA-UHFFFAOYSA-N 1 0 217.269 -0.425 20 5 BBBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC000899859426 584242740 /nfs/dbraw/zinc/24/27/40/584242740.db2.gz JIHKABQGIXXWEN-UHFFFAOYSA-N 1 0 231.296 -0.037 20 5 BBBDRO COCCOCCC[NH2+]CC[N+](=O)[O-] ZINC000899864867 584245461 /nfs/dbraw/zinc/24/54/61/584245461.db2.gz CFHKDIHIWQOMDF-UHFFFAOYSA-N 1 0 206.242 -0.094 20 5 BBBDRO C[C@H](CN1CCOCC1)[NH2+]CC[N+](=O)[O-] ZINC000899869809 584244526 /nfs/dbraw/zinc/24/45/26/584244526.db2.gz ANIHPSYJRGIYMI-SECBINFHSA-N 1 0 217.269 -0.427 20 5 BBBDRO C[C@@H](CN1CCOCC1)[NH2+]CC[N+](=O)[O-] ZINC000899869810 584244233 /nfs/dbraw/zinc/24/42/33/584244233.db2.gz ANIHPSYJRGIYMI-VIFPVBQESA-N 1 0 217.269 -0.427 20 5 BBBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1CCOC1 ZINC000899890703 584245757 /nfs/dbraw/zinc/24/57/57/584245757.db2.gz HAFYZSTZGSCNNK-BDAKNGLRSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])[C@H]1CCOC1 ZINC000899890704 584245986 /nfs/dbraw/zinc/24/59/86/584245986.db2.gz HAFYZSTZGSCNNK-DTWKUNHWSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])[C@H]1CCOC1 ZINC000899890705 584245974 /nfs/dbraw/zinc/24/59/74/584245974.db2.gz HAFYZSTZGSCNNK-IUCAKERBSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1CCOC1 ZINC000899890706 584245980 /nfs/dbraw/zinc/24/59/80/584245980.db2.gz HAFYZSTZGSCNNK-RKDXNWHRSA-N 1 0 218.253 -0.096 20 5 BBBDRO O=C1O[C@H](C[NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000899891102 584246146 /nfs/dbraw/zinc/24/61/46/584246146.db2.gz LRUXNWGVJBOACO-MRVPVSSYSA-N 1 0 229.236 -0.164 20 5 BBBDRO O=C1O[C@@H](C[NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000899891103 584246140 /nfs/dbraw/zinc/24/61/40/584246140.db2.gz LRUXNWGVJBOACO-QMMMGPOBSA-N 1 0 229.236 -0.164 20 5 BBBDRO COC[C@@H](CC[NH2+]CC[N+](=O)[O-])OC ZINC000899891123 584245951 /nfs/dbraw/zinc/24/59/51/584245951.db2.gz MBSDQNGAZJYVDU-MRVPVSSYSA-N 1 0 206.242 -0.096 20 5 BBBDRO COC[C@H](CC[NH2+]CC[N+](=O)[O-])OC ZINC000899891124 584246273 /nfs/dbraw/zinc/24/62/73/584246273.db2.gz MBSDQNGAZJYVDU-QMMMGPOBSA-N 1 0 206.242 -0.096 20 5 BBBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1ccco1 ZINC000905022751 637571923 /nfs/dbraw/zinc/57/19/23/637571923.db2.gz GYLBECBWMXVORV-UHFFFAOYSA-N 1 0 227.220 -0.124 20 5 BBBDRO CC(C)C(=O)NCC[NH2+]CC[N+](=O)[O-] ZINC000905024912 637575368 /nfs/dbraw/zinc/57/53/68/637575368.db2.gz KAOIKMNXMXAFDG-UHFFFAOYSA-N 1 0 203.242 -0.375 20 5 BBBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905028516 637576411 /nfs/dbraw/zinc/57/64/11/637576411.db2.gz ULNVUODJBWZFDG-UHFFFAOYSA-N 1 0 201.226 -0.621 20 5 BBBDRO CC(C)NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905039172 637560228 /nfs/dbraw/zinc/56/02/28/637560228.db2.gz SXAFUPSCBUWGKB-UHFFFAOYSA-N 1 0 203.242 -0.233 20 5 BBBDRO O=C(CC[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC000905039381 637560090 /nfs/dbraw/zinc/56/00/90/637560090.db2.gz HCSISDPHPFUDBV-UHFFFAOYSA-N 1 0 231.252 -0.898 20 5 BBBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1cccnc1 ZINC000905049776 637566153 /nfs/dbraw/zinc/56/61/53/637566153.db2.gz QOYJYOBONAXXEU-UHFFFAOYSA-N 1 0 238.247 -0.322 20 5 BBBDRO O=C(CCC[NH2+]CC[N+](=O)[O-])NC1CC1 ZINC000905050070 637567402 /nfs/dbraw/zinc/56/74/02/637567402.db2.gz MQYXTYGEBSRZKQ-UHFFFAOYSA-N 1 0 215.253 -0.089 20 5 BBBDRO COCC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905061895 637596510 /nfs/dbraw/zinc/59/65/10/637596510.db2.gz UDQVWRLUKIOEJC-UHFFFAOYSA-N 1 0 231.296 -0.037 20 5 BBBDRO CN(C)C(=O)CCC[NH2+]CC[N+](=O)[O-] ZINC000905070418 637602962 /nfs/dbraw/zinc/60/29/62/637602962.db2.gz ZNQKTHFNNWUWNM-UHFFFAOYSA-N 1 0 203.242 -0.279 20 5 BBBDRO O=[N+]([O-])CCNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905075712 637606923 /nfs/dbraw/zinc/60/69/23/637606923.db2.gz KPKBSHBKDNXNHB-NXEZZACHSA-N 1 0 229.280 -0.284 20 5 BBBDRO O=[N+]([O-])CCNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905075719 637605995 /nfs/dbraw/zinc/60/59/95/637605995.db2.gz KPKBSHBKDNXNHB-UWVGGRQHSA-N 1 0 229.280 -0.284 20 5 BBBDRO O=[N+]([O-])CCNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905075720 637606962 /nfs/dbraw/zinc/60/69/62/637606962.db2.gz KPKBSHBKDNXNHB-VHSXEESVSA-N 1 0 229.280 -0.284 20 5 BBBDRO O=[N+]([O-])CCNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905075722 637605512 /nfs/dbraw/zinc/60/55/12/637605512.db2.gz KPKBSHBKDNXNHB-ZJUUUORDSA-N 1 0 229.280 -0.284 20 5 BBBDRO CC1(C)CN(CC[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905084108 637581546 /nfs/dbraw/zinc/58/15/46/637581546.db2.gz YZMBCXYGMUKBMU-UHFFFAOYSA-N 1 0 231.296 -0.037 20 5 BBBDRO COCCN(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905090460 637589175 /nfs/dbraw/zinc/58/91/75/637589175.db2.gz VRBVRONEZSCXAM-UHFFFAOYSA-N 1 0 205.258 -0.569 20 5 BBBDRO CC(C)N1C[C@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905090868 637589403 /nfs/dbraw/zinc/58/94/03/637589403.db2.gz VSFWQFZBRBHBDT-MRVPVSSYSA-N 1 0 215.253 -0.138 20 5 BBBDRO CC(C)N1C[C@@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905090869 637588233 /nfs/dbraw/zinc/58/82/33/637588233.db2.gz VSFWQFZBRBHBDT-QMMMGPOBSA-N 1 0 215.253 -0.138 20 5 BBBDRO COCCN1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905092320 637631788 /nfs/dbraw/zinc/63/17/88/637631788.db2.gz CQGQFWAMVCKTMO-JTQLQIEISA-N 1 0 231.296 -0.037 20 5 BBBDRO COCCN1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905092323 637630989 /nfs/dbraw/zinc/63/09/89/637630989.db2.gz CQGQFWAMVCKTMO-SNVBAGLBSA-N 1 0 231.296 -0.037 20 5 BBBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000905093873 637632088 /nfs/dbraw/zinc/63/20/88/637632088.db2.gz MRPJXFWVGHJHCY-NXEZZACHSA-N 1 0 231.296 -0.038 20 5 BBBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000905093874 637632255 /nfs/dbraw/zinc/63/22/55/637632255.db2.gz MRPJXFWVGHJHCY-UWVGGRQHSA-N 1 0 231.296 -0.038 20 5 BBBDRO C[C@H]([C@H](C)[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC000905093875 637630605 /nfs/dbraw/zinc/63/06/05/637630605.db2.gz MRPJXFWVGHJHCY-VHSXEESVSA-N 1 0 231.296 -0.038 20 5 BBBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000905093876 637631364 /nfs/dbraw/zinc/63/13/64/637631364.db2.gz MRPJXFWVGHJHCY-ZJUUUORDSA-N 1 0 231.296 -0.038 20 5 BBBDRO O=C1CCC(=O)N1CCC[NH2+]CC[N+](=O)[O-] ZINC000905094173 637632052 /nfs/dbraw/zinc/63/20/52/637632052.db2.gz DSPHXSCPPULHGA-UHFFFAOYSA-N 1 0 229.236 -0.608 20 5 BBBDRO CC1(C)COCCN1CC[NH2+]CC[N+](=O)[O-] ZINC000905095325 637633652 /nfs/dbraw/zinc/63/36/52/637633652.db2.gz FAFACDKBOKWLGN-UHFFFAOYSA-N 1 0 231.296 -0.037 20 5 BBBDRO O=C1OCCN1CCC[NH2+]CC[N+](=O)[O-] ZINC000905098199 637637055 /nfs/dbraw/zinc/63/70/55/637637055.db2.gz RBRALHGIQRZSER-UHFFFAOYSA-N 1 0 217.225 -0.305 20 5 BBBDRO O=C1NCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905102696 637612155 /nfs/dbraw/zinc/61/21/55/637612155.db2.gz UZHAIIFUOJVKOP-SSDOTTSWSA-N 1 0 201.226 -0.621 20 5 BBBDRO O=C1NCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905102697 637611217 /nfs/dbraw/zinc/61/12/17/637611217.db2.gz UZHAIIFUOJVKOP-ZETCQYMHSA-N 1 0 201.226 -0.621 20 5 BBBDRO COCCN1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905103049 637610042 /nfs/dbraw/zinc/61/00/42/637610042.db2.gz WYZQPXYXWPFVSV-SECBINFHSA-N 1 0 217.269 -0.427 20 5 BBBDRO COCCN1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905103050 637610231 /nfs/dbraw/zinc/61/02/31/637610231.db2.gz WYZQPXYXWPFVSV-VIFPVBQESA-N 1 0 217.269 -0.427 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCOC[C@@H]1CCOC1 ZINC000905107170 637616183 /nfs/dbraw/zinc/61/61/83/637616183.db2.gz VSQDEZIFENUIFH-SECBINFHSA-N 1 0 218.253 -0.094 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCOC[C@H]1CCOC1 ZINC000905107171 637615565 /nfs/dbraw/zinc/61/55/65/637615565.db2.gz VSQDEZIFENUIFH-VIFPVBQESA-N 1 0 218.253 -0.094 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCN1CCSCC1 ZINC000905110820 637617885 /nfs/dbraw/zinc/61/78/85/637617885.db2.gz RBOKNZARDGOVGG-UHFFFAOYSA-N 1 0 219.310 -0.099 20 5 BBBDRO CN1CCN(C(=O)CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905111878 637617293 /nfs/dbraw/zinc/61/72/93/637617293.db2.gz UVVICOPXVUIQML-UHFFFAOYSA-N 1 0 244.295 -0.983 20 5 BBBDRO O=C1CCC(=O)N1CC[NH2+]CC[N+](=O)[O-] ZINC000905118187 637624414 /nfs/dbraw/zinc/62/44/14/637624414.db2.gz RXHRHRUNXFAOKF-UHFFFAOYSA-N 1 0 215.209 -0.998 20 5 BBBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])CN1CCOCC1 ZINC000905131603 637642379 /nfs/dbraw/zinc/64/23/79/637642379.db2.gz BTBGOELSFBVBEY-JTQLQIEISA-N 1 0 231.296 -0.179 20 5 BBBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])CN1CCOCC1 ZINC000905131604 637642894 /nfs/dbraw/zinc/64/28/94/637642894.db2.gz BTBGOELSFBVBEY-SNVBAGLBSA-N 1 0 231.296 -0.179 20 5 BBBDRO CN1C[C@H]([NH2+]CC[N+](=O)[O-])CCC1=O ZINC000905133329 637644778 /nfs/dbraw/zinc/64/47/78/637644778.db2.gz KJEHZJIWABIOOM-SSDOTTSWSA-N 1 0 201.226 -0.527 20 5 BBBDRO CN1C[C@@H]([NH2+]CC[N+](=O)[O-])CCC1=O ZINC000905133330 637644812 /nfs/dbraw/zinc/64/48/12/637644812.db2.gz KJEHZJIWABIOOM-ZETCQYMHSA-N 1 0 201.226 -0.527 20 5 BBBDRO CCc1nncn1CC[NH2+]CC[N+](=O)[O-] ZINC000905138636 637649615 /nfs/dbraw/zinc/64/96/15/637649615.db2.gz VBGPNPPHDQKELE-UHFFFAOYSA-N 1 0 213.241 -0.293 20 5 BBBDRO COCCOC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905140364 637649065 /nfs/dbraw/zinc/64/90/65/637649065.db2.gz UWJNFCZGOSPVEE-MRVPVSSYSA-N 1 0 206.242 -0.096 20 5 BBBDRO COCCOC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905140365 637648490 /nfs/dbraw/zinc/64/84/90/637648490.db2.gz UWJNFCZGOSPVEE-QMMMGPOBSA-N 1 0 206.242 -0.096 20 5 BBBDRO COCCC[N@H+](C)CCNCC[N+](=O)[O-] ZINC000905141220 637648097 /nfs/dbraw/zinc/64/80/97/637648097.db2.gz ZMYJFKOWGBUYCY-UHFFFAOYSA-N 1 0 219.285 -0.179 20 5 BBBDRO CS(=O)(=O)CC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905147698 637655955 /nfs/dbraw/zinc/65/59/55/637655955.db2.gz LSYHCIWMVMIBTK-UHFFFAOYSA-N 1 0 236.293 -0.323 20 5 BBBDRO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000905149224 637659526 /nfs/dbraw/zinc/65/95/26/637659526.db2.gz RPFNVEIBWCSPEN-SSDOTTSWSA-N 1 0 213.237 -0.384 20 5 BBBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000905149235 637659720 /nfs/dbraw/zinc/65/97/20/637659720.db2.gz RPFNVEIBWCSPEN-ZETCQYMHSA-N 1 0 213.237 -0.384 20 5 BBBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])S(C)(=O)=O ZINC000905149296 637659588 /nfs/dbraw/zinc/65/95/88/637659588.db2.gz SHNWNLGUZVXUAF-UHFFFAOYSA-N 1 0 224.282 -0.324 20 5 BBBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000905151875 637661341 /nfs/dbraw/zinc/66/13/41/637661341.db2.gz CIUKWGWAHOUEDE-SECBINFHSA-N 1 0 245.279 -0.510 20 5 BBBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000905151877 637662928 /nfs/dbraw/zinc/66/29/28/637662928.db2.gz CIUKWGWAHOUEDE-VIFPVBQESA-N 1 0 245.279 -0.510 20 5 BBBDRO CCNC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905165762 637677758 /nfs/dbraw/zinc/67/77/58/637677758.db2.gz FJXQMASRGDCKQG-MRVPVSSYSA-N 1 0 230.268 -0.344 20 5 BBBDRO CCNC(=O)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905165812 637678154 /nfs/dbraw/zinc/67/81/54/637678154.db2.gz FJXQMASRGDCKQG-QMMMGPOBSA-N 1 0 230.268 -0.344 20 5 BBBDRO CCC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905170709 637681111 /nfs/dbraw/zinc/68/11/11/637681111.db2.gz SBCFGEFUEYWXQF-MRVPVSSYSA-N 1 0 215.253 -0.136 20 5 BBBDRO CCC(=O)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905170717 637680814 /nfs/dbraw/zinc/68/08/14/637680814.db2.gz SBCFGEFUEYWXQF-QMMMGPOBSA-N 1 0 215.253 -0.136 20 5 BBBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000905178471 637684666 /nfs/dbraw/zinc/68/46/66/637684666.db2.gz XFGWFYGDIDIRAA-BDAKNGLRSA-N 1 0 217.269 -0.428 20 5 BBBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000905178572 637684586 /nfs/dbraw/zinc/68/45/86/637684586.db2.gz XFGWFYGDIDIRAA-DTWKUNHWSA-N 1 0 217.269 -0.428 20 5 BBBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000905178573 637685051 /nfs/dbraw/zinc/68/50/51/637685051.db2.gz XFGWFYGDIDIRAA-IUCAKERBSA-N 1 0 217.269 -0.428 20 5 BBBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000905178574 637685318 /nfs/dbraw/zinc/68/53/18/637685318.db2.gz XFGWFYGDIDIRAA-RKDXNWHRSA-N 1 0 217.269 -0.428 20 5 BBBDRO CNC(=O)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905180211 637665020 /nfs/dbraw/zinc/66/50/20/637665020.db2.gz JSQTXKXKMBQIIB-UHFFFAOYSA-N 1 0 203.242 -0.375 20 5 BBBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905201860 637693477 /nfs/dbraw/zinc/69/34/77/637693477.db2.gz PSSHTYZWLMMHAP-BDAKNGLRSA-N 1 0 245.279 -0.512 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000905201883 637693815 /nfs/dbraw/zinc/69/38/15/637693815.db2.gz KILLXCRWBRNYRX-SECBINFHSA-N 1 0 246.263 -0.225 20 5 BBBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905201887 637693832 /nfs/dbraw/zinc/69/38/32/637693832.db2.gz PSSHTYZWLMMHAP-DTWKUNHWSA-N 1 0 245.279 -0.512 20 5 BBBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905201889 637693800 /nfs/dbraw/zinc/69/38/00/637693800.db2.gz PSSHTYZWLMMHAP-IUCAKERBSA-N 1 0 245.279 -0.512 20 5 BBBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905201891 637694177 /nfs/dbraw/zinc/69/41/77/637694177.db2.gz PSSHTYZWLMMHAP-RKDXNWHRSA-N 1 0 245.279 -0.512 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000905201911 637694305 /nfs/dbraw/zinc/69/43/05/637694305.db2.gz KILLXCRWBRNYRX-VIFPVBQESA-N 1 0 246.263 -0.225 20 5 BBBDRO CO[C@@]1(C[NH2+]CC[N+](=O)[O-])CCOC1 ZINC000905211492 637698271 /nfs/dbraw/zinc/69/82/71/637698271.db2.gz FHVLFLGCTYMMTL-MRVPVSSYSA-N 1 0 204.226 -0.342 20 5 BBBDRO CO[C@]1(C[NH2+]CC[N+](=O)[O-])CCOC1 ZINC000905211494 637697484 /nfs/dbraw/zinc/69/74/84/637697484.db2.gz FHVLFLGCTYMMTL-QMMMGPOBSA-N 1 0 204.226 -0.342 20 5 BBBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905217272 637700420 /nfs/dbraw/zinc/70/04/20/637700420.db2.gz IYKFKXRRBWHGJO-NXEZZACHSA-N 1 0 248.279 -0.327 20 5 BBBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905217282 637700525 /nfs/dbraw/zinc/70/05/25/637700525.db2.gz IYKFKXRRBWHGJO-UWVGGRQHSA-N 1 0 248.279 -0.327 20 5 BBBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905217285 637700403 /nfs/dbraw/zinc/70/04/03/637700403.db2.gz IYKFKXRRBWHGJO-VHSXEESVSA-N 1 0 248.279 -0.327 20 5 BBBDRO COCCO[C@H]1COCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905217286 637700020 /nfs/dbraw/zinc/70/00/20/637700020.db2.gz IYKFKXRRBWHGJO-ZJUUUORDSA-N 1 0 248.279 -0.327 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCN1CCCOCC1 ZINC000905226872 637688721 /nfs/dbraw/zinc/68/87/21/637688721.db2.gz AQYOYONOCMNUIC-UHFFFAOYSA-N 1 0 217.269 -0.425 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CC1(N2CCOCC2)CC1 ZINC000905234903 637720219 /nfs/dbraw/zinc/72/02/19/637720219.db2.gz WTROTRXWYSWKCC-UHFFFAOYSA-N 1 0 229.280 -0.283 20 5 BBBDRO CS(=O)(=O)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905241818 637724608 /nfs/dbraw/zinc/72/46/08/637724608.db2.gz HKLCFMCCHGOTCN-UHFFFAOYSA-N 1 0 236.293 -0.180 20 5 BBBDRO COCC[C@H](COC)[NH2+]CC[N+](=O)[O-] ZINC000905262514 637716269 /nfs/dbraw/zinc/71/62/69/637716269.db2.gz IDGIJJNAIARDGI-MRVPVSSYSA-N 1 0 206.242 -0.096 20 5 BBBDRO COCC[C@@H](COC)[NH2+]CC[N+](=O)[O-] ZINC000905262516 637717668 /nfs/dbraw/zinc/71/76/68/637717668.db2.gz IDGIJJNAIARDGI-QMMMGPOBSA-N 1 0 206.242 -0.096 20 5 BBBDRO Cn1ncc(CCC[NH2+]CC[N+](=O)[O-])n1 ZINC000905269222 637729151 /nfs/dbraw/zinc/72/91/51/637729151.db2.gz VFIFTXQCUGJXJY-UHFFFAOYSA-N 1 0 213.241 -0.386 20 5 BBBDRO CO[C@H]1COCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271153 637729981 /nfs/dbraw/zinc/72/99/81/637729981.db2.gz BHKANOMFAPWHGA-BDAKNGLRSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@@H]1COCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271155 637730493 /nfs/dbraw/zinc/73/04/93/637730493.db2.gz BHKANOMFAPWHGA-DTWKUNHWSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@H]1COCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271156 637730179 /nfs/dbraw/zinc/73/01/79/637730179.db2.gz BHKANOMFAPWHGA-IUCAKERBSA-N 1 0 218.253 -0.096 20 5 BBBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271158 637730225 /nfs/dbraw/zinc/73/02/25/637730225.db2.gz BHKANOMFAPWHGA-RKDXNWHRSA-N 1 0 218.253 -0.096 20 5 BBBDRO CCOC(=O)COCC[NH2+]CC[N+](=O)[O-] ZINC000905272448 637729989 /nfs/dbraw/zinc/72/99/89/637729989.db2.gz HKUKYVRIKAXHDW-UHFFFAOYSA-N 1 0 220.225 -0.568 20 5 BBBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCC(=O)N1 ZINC000905280098 637735954 /nfs/dbraw/zinc/73/59/54/637735954.db2.gz LWWGLALURDAASE-MRVPVSSYSA-N 1 0 201.226 -0.479 20 5 BBBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCC(=O)N1 ZINC000905280186 637735832 /nfs/dbraw/zinc/73/58/32/637735832.db2.gz LWWGLALURDAASE-QMMMGPOBSA-N 1 0 201.226 -0.479 20 5 BBBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905280565 637734668 /nfs/dbraw/zinc/73/46/68/637734668.db2.gz OSBLBEDWPSZMBO-RQJHMYQMSA-N 1 0 201.226 -0.493 20 5 BBBDRO CCN1C[C@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905282170 637736802 /nfs/dbraw/zinc/73/68/02/637736802.db2.gz YATONMGDISFASG-SSDOTTSWSA-N 1 0 201.226 -0.527 20 5 BBBDRO CCN1C[C@@H]([NH2+]CC[N+](=O)[O-])CC1=O ZINC000905282171 637736493 /nfs/dbraw/zinc/73/64/93/637736493.db2.gz YATONMGDISFASG-ZETCQYMHSA-N 1 0 201.226 -0.527 20 5 BBBDRO CON1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905287336 637740160 /nfs/dbraw/zinc/74/01/60/637740160.db2.gz CFWYEYXRMBUKMS-UHFFFAOYSA-N 1 0 203.242 -0.122 20 5 BBBDRO NC(=O)CC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905288015 637740187 /nfs/dbraw/zinc/74/01/87/637740187.db2.gz LACXFQPUSPLAKJ-UHFFFAOYSA-N 1 0 201.226 -0.492 20 5 BBBDRO CCS(=O)(=O)CCC[NH2+]CC[N+](=O)[O-] ZINC000905288200 637739392 /nfs/dbraw/zinc/73/93/92/637739392.db2.gz DDLVAJJVICDHTA-UHFFFAOYSA-N 1 0 224.282 -0.323 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000905291026 637742128 /nfs/dbraw/zinc/74/21/28/637742128.db2.gz YHZRWDNTXZWZDO-SSDOTTSWSA-N 1 0 226.240 -0.756 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2nnnn2CC1 ZINC000905291027 637741544 /nfs/dbraw/zinc/74/15/44/637741544.db2.gz YHZRWDNTXZWZDO-ZETCQYMHSA-N 1 0 226.240 -0.756 20 5 BBBDRO COC(=O)[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905292812 637726352 /nfs/dbraw/zinc/72/63/52/637726352.db2.gz RHGQMUNQCPQAKO-KNVOCYPGSA-N 1 0 202.210 -0.196 20 5 BBBDRO CC(C)COC[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905339513 637780161 /nfs/dbraw/zinc/78/01/61/637780161.db2.gz BASBBQHVSLLKPE-SECBINFHSA-N 1 0 220.269 -0.114 20 5 BBBDRO CC(C)COC[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905339516 637781430 /nfs/dbraw/zinc/78/14/30/637781430.db2.gz BASBBQHVSLLKPE-VIFPVBQESA-N 1 0 220.269 -0.114 20 5 BBBDRO O=[N+]([O-])CCNCCC[NH+]1CCC(O)CC1 ZINC000905340239 637782953 /nfs/dbraw/zinc/78/29/53/637782953.db2.gz GYSGGBAAUXSGON-UHFFFAOYSA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCNC[C@H](O)C[NH+]1CCCCC1 ZINC000905341410 637783077 /nfs/dbraw/zinc/78/30/77/637783077.db2.gz NJEMTQFEGDOCSJ-JTQLQIEISA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCNC[C@@H](O)C[NH+]1CCCCC1 ZINC000905341411 637782580 /nfs/dbraw/zinc/78/25/80/637782580.db2.gz NJEMTQFEGDOCSJ-SNVBAGLBSA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000905345158 637767664 /nfs/dbraw/zinc/76/76/64/637767664.db2.gz LYBRSSYZANZPPJ-SECBINFHSA-N 1 0 217.269 -0.691 20 5 BBBDRO O=[N+]([O-])CCNC[C@H](O)C[NH+]1CCCC1 ZINC000905345179 637767733 /nfs/dbraw/zinc/76/77/33/637767733.db2.gz LYBRSSYZANZPPJ-VIFPVBQESA-N 1 0 217.269 -0.691 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCSCCCO ZINC000905348123 637769160 /nfs/dbraw/zinc/76/91/60/637769160.db2.gz CXKJJFRJKBAWKG-UHFFFAOYSA-N 1 0 208.283 -0.032 20 5 BBBDRO CS[C@@H](CO)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905352132 637771745 /nfs/dbraw/zinc/77/17/45/637771745.db2.gz CTQPWVNYWADELF-BQBZGAKWSA-N 1 0 208.283 -0.035 20 5 BBBDRO CS[C@H](CO)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905352133 637770719 /nfs/dbraw/zinc/77/07/19/637770719.db2.gz CTQPWVNYWADELF-NKWVEPMBSA-N 1 0 208.283 -0.035 20 5 BBBDRO CS[C@H](CO)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905352134 637771049 /nfs/dbraw/zinc/77/10/49/637771049.db2.gz CTQPWVNYWADELF-RNFRBKRXSA-N 1 0 208.283 -0.035 20 5 BBBDRO CS[C@@H](CO)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905352135 637771601 /nfs/dbraw/zinc/77/16/01/637771601.db2.gz CTQPWVNYWADELF-RQJHMYQMSA-N 1 0 208.283 -0.035 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)COCC1CC1 ZINC000905352651 637773525 /nfs/dbraw/zinc/77/35/25/637773525.db2.gz YMRCQQBUKXERCK-SECBINFHSA-N 1 0 218.253 -0.360 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)COCC1CC1 ZINC000905352654 637773010 /nfs/dbraw/zinc/77/30/10/637773010.db2.gz YMRCQQBUKXERCK-VIFPVBQESA-N 1 0 218.253 -0.360 20 5 BBBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])OCCO ZINC000905354962 637773747 /nfs/dbraw/zinc/77/37/47/637773747.db2.gz QIUAKUKHRQWXBS-UHFFFAOYSA-N 1 0 206.242 -0.360 20 5 BBBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905363397 637787901 /nfs/dbraw/zinc/78/79/01/637787901.db2.gz DWVNPUXCPXQZMI-HTQZYQBOSA-N 1 0 206.242 -0.625 20 5 BBBDRO CCC[C@@H](O)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905363398 637788122 /nfs/dbraw/zinc/78/81/22/637788122.db2.gz DWVNPUXCPXQZMI-JGVFFNPUSA-N 1 0 206.242 -0.625 20 5 BBBDRO CCC[C@H](O)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905363399 637787786 /nfs/dbraw/zinc/78/77/86/637787786.db2.gz DWVNPUXCPXQZMI-SFYZADRCSA-N 1 0 206.242 -0.625 20 5 BBBDRO CCC[C@H](O)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC000905363400 637788172 /nfs/dbraw/zinc/78/81/72/637788172.db2.gz DWVNPUXCPXQZMI-YUMQZZPRSA-N 1 0 206.242 -0.625 20 5 BBBDRO CC[NH+](CC)CC[C@@H](CO)NCC[N+](=O)[O-] ZINC000905363768 637787949 /nfs/dbraw/zinc/78/79/49/637787949.db2.gz FWMMMUVPDWNFOC-JTQLQIEISA-N 1 0 233.312 -0.055 20 5 BBBDRO CC[NH+](CC)CC[C@H](CO)NCC[N+](=O)[O-] ZINC000905363769 637788453 /nfs/dbraw/zinc/78/84/53/637788453.db2.gz FWMMMUVPDWNFOC-SNVBAGLBSA-N 1 0 233.312 -0.055 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCN1CCO ZINC000905364154 637788480 /nfs/dbraw/zinc/78/84/80/637788480.db2.gz HXAGWJWSCFPICD-JTQLQIEISA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCCN1CCO ZINC000905364156 637787506 /nfs/dbraw/zinc/78/75/06/637787506.db2.gz HXAGWJWSCFPICD-SNVBAGLBSA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCNC[C@@H]1CCC[N@H+]1CCCO ZINC000905366226 637789332 /nfs/dbraw/zinc/78/93/32/637789332.db2.gz GNGNRDUNIUVSOP-JTQLQIEISA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCNC[C@H]1CCC[N@H+]1CCCO ZINC000905366227 637789679 /nfs/dbraw/zinc/78/96/79/637789679.db2.gz GNGNRDUNIUVSOP-SNVBAGLBSA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@H](CO)Cc1ccncc1 ZINC000905366968 637789775 /nfs/dbraw/zinc/78/97/75/637789775.db2.gz REIJFZMKCYJOMC-JTQLQIEISA-N 1 0 225.248 -0.149 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)Cc1ccncc1 ZINC000905366970 637789052 /nfs/dbraw/zinc/78/90/52/637789052.db2.gz REIJFZMKCYJOMC-SNVBAGLBSA-N 1 0 225.248 -0.149 20 5 BBBDRO CC[N@H+](CCO)CCNCC[N+](=O)[O-] ZINC000905368384 637790076 /nfs/dbraw/zinc/79/00/76/637790076.db2.gz PWRCRERZKZCSAF-UHFFFAOYSA-N 1 0 205.258 -0.833 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(CCCO)C1 ZINC000905369086 637789379 /nfs/dbraw/zinc/78/93/79/637789379.db2.gz XUACIDHDXXINOR-JTQLQIEISA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000905369088 637789323 /nfs/dbraw/zinc/78/93/23/637789323.db2.gz XUACIDHDXXINOR-SNVBAGLBSA-N 1 0 231.296 -0.301 20 5 BBBDRO O=[N+]([O-])CCN[C@@H](CO)C[NH+]1CCCC1 ZINC000905375561 637793250 /nfs/dbraw/zinc/79/32/50/637793250.db2.gz RGWNDJFFDSEZFN-SECBINFHSA-N 1 0 217.269 -0.691 20 5 BBBDRO O=[N+]([O-])CCN[C@H](CO)C[NH+]1CCCC1 ZINC000905375562 637792826 /nfs/dbraw/zinc/79/28/26/637792826.db2.gz RGWNDJFFDSEZFN-VIFPVBQESA-N 1 0 217.269 -0.691 20 5 BBBDRO COC(=O)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905383069 637784411 /nfs/dbraw/zinc/78/44/11/637784411.db2.gz RHGQMUNQCPQAKO-LJGSYFOKSA-N 1 0 202.210 -0.196 20 5 BBBDRO CN1CCOC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905384581 637784502 /nfs/dbraw/zinc/78/45/02/637784502.db2.gz MNSGGEKZVRQGTL-MRVPVSSYSA-N 1 0 203.242 -0.817 20 5 BBBDRO CN1CCOC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905384582 637784145 /nfs/dbraw/zinc/78/41/45/637784145.db2.gz MNSGGEKZVRQGTL-QMMMGPOBSA-N 1 0 203.242 -0.817 20 5 BBBDRO COC(=O)N(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905385136 637784229 /nfs/dbraw/zinc/78/42/29/637784229.db2.gz XFLFWIIUPAHUDC-UHFFFAOYSA-N 1 0 205.214 -0.449 20 5 BBBDRO COC(=O)COCC[NH2+]CC[N+](=O)[O-] ZINC000905386083 637786959 /nfs/dbraw/zinc/78/69/59/637786959.db2.gz RJVSRHXKPJLMKX-UHFFFAOYSA-N 1 0 206.198 -0.958 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000905390243 637786516 /nfs/dbraw/zinc/78/65/16/637786516.db2.gz OYRCMXJLZZXBKN-HTQZYQBOSA-N 1 0 204.226 -0.607 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000905390252 637786718 /nfs/dbraw/zinc/78/67/18/637786718.db2.gz OYRCMXJLZZXBKN-JGVFFNPUSA-N 1 0 204.226 -0.607 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000905390254 637785797 /nfs/dbraw/zinc/78/57/97/637785797.db2.gz OYRCMXJLZZXBKN-SFYZADRCSA-N 1 0 204.226 -0.607 20 5 BBBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000905390256 637787038 /nfs/dbraw/zinc/78/70/38/637787038.db2.gz OYRCMXJLZZXBKN-YUMQZZPRSA-N 1 0 204.226 -0.607 20 5 BBBDRO CC(C)(O)C[N@@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905401221 637795238 /nfs/dbraw/zinc/79/52/38/637795238.db2.gz XBYQXEGVHAQQCW-VIFPVBQESA-N 1 0 231.296 -0.302 20 5 BBBDRO O=C1OC[C@@]2(C[NH2+]CC[N+](=O)[O-])COCCN12 ZINC000905403582 637797309 /nfs/dbraw/zinc/79/73/09/637797309.db2.gz DAQMJQYVWWGJMD-SECBINFHSA-N 1 0 245.235 -0.926 20 5 BBBDRO O=C1OC[C@]2(C[NH2+]CC[N+](=O)[O-])COCCN12 ZINC000905403583 637796717 /nfs/dbraw/zinc/79/67/17/637796717.db2.gz DAQMJQYVWWGJMD-VIFPVBQESA-N 1 0 245.235 -0.926 20 5 BBBDRO COC(=O)C1CC([NH2+]CC[N+](=O)[O-])C1 ZINC000905405237 637796959 /nfs/dbraw/zinc/79/69/59/637796959.db2.gz RHGQMUNQCPQAKO-UHFFFAOYSA-N 1 0 202.210 -0.196 20 5 BBBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905405543 637797373 /nfs/dbraw/zinc/79/73/73/637797373.db2.gz UEHDEVVKGFWXJU-HTQZYQBOSA-N 1 0 232.236 -0.569 20 5 BBBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905444978 637815870 /nfs/dbraw/zinc/81/58/70/637815870.db2.gz DVSBBLZPLXQNLF-LJGSYFOKSA-N 1 0 222.266 -0.572 20 5 BBBDRO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1CC1CC1 ZINC000905454888 637820630 /nfs/dbraw/zinc/82/06/30/637820630.db2.gz VCFAMHQXXWFJGZ-SECBINFHSA-N 1 0 227.264 -0.136 20 5 BBBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1CC1CC1 ZINC000905454889 637820325 /nfs/dbraw/zinc/82/03/25/637820325.db2.gz VCFAMHQXXWFJGZ-VIFPVBQESA-N 1 0 227.264 -0.136 20 5 BBBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905490587 637835549 /nfs/dbraw/zinc/83/55/49/637835549.db2.gz JCMQRAKPFCAEIG-RNFRBKRXSA-N 1 0 202.210 -0.338 20 5 BBBDRO CCO[C@H](CNCC[N+](=O)[O-])C[NH+](C)C ZINC000905577033 637853470 /nfs/dbraw/zinc/85/34/70/637853470.db2.gz TURBPXOAKDOEIK-SECBINFHSA-N 1 0 219.285 -0.181 20 5 BBBDRO CCO[C@@H](CNCC[N+](=O)[O-])C[NH+](C)C ZINC000905577034 637853611 /nfs/dbraw/zinc/85/36/11/637853611.db2.gz TURBPXOAKDOEIK-VIFPVBQESA-N 1 0 219.285 -0.181 20 5 BBBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])CS(C)(=O)=O ZINC000905578425 637848724 /nfs/dbraw/zinc/84/87/24/637848724.db2.gz IHVULLNEJWFTNF-UHFFFAOYSA-N 1 0 238.309 -0.077 20 5 BBBDRO CCOCCOCC[NH2+]CC[N+](=O)[O-] ZINC000905608064 711813022 /nfs/dbraw/zinc/81/30/22/711813022.db2.gz HBZXPSPKZOXZFU-UHFFFAOYSA-N 1 0 206.242 -0.094 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCO[C@@H]1CCOC1 ZINC000905610811 637866802 /nfs/dbraw/zinc/86/68/02/637866802.db2.gz WQIRTNXVXHWOBX-MRVPVSSYSA-N 1 0 204.226 -0.342 20 5 BBBDRO O=[N+]([O-])CC[NH2+]CCO[C@H]1CCOC1 ZINC000905610812 637866439 /nfs/dbraw/zinc/86/64/39/637866439.db2.gz WQIRTNXVXHWOBX-QMMMGPOBSA-N 1 0 204.226 -0.342 20 5 BBBDRO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000912598680 640121791 /nfs/dbraw/zinc/12/17/91/640121791.db2.gz HRHZMUQOAMOUOW-RKDXNWHRSA-N 1 0 245.279 -0.966 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904013 640249212 /nfs/dbraw/zinc/24/92/12/640249212.db2.gz OEZJBIPOXJIXII-IVZWLZJFSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904014 640249075 /nfs/dbraw/zinc/24/90/75/640249075.db2.gz OEZJBIPOXJIXII-OPRDCNLKSA-N 1 0 239.275 -0.042 20 5 BBBDRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913635141 641437025 /nfs/dbraw/zinc/43/70/25/641437025.db2.gz RRYURQLKEXWPPS-HTQZYQBOSA-N 1 0 225.248 -0.384 20 5 BBBDRO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000928431526 635917147 /nfs/dbraw/zinc/91/71/47/635917147.db2.gz NTUNFSBIUVVKSS-FNCVBFRFSA-N 1 0 227.264 -0.140 20 5 BBBDRO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000928431533 635917943 /nfs/dbraw/zinc/91/79/43/635917943.db2.gz NTUNFSBIUVVKSS-JQCXWYLXSA-N 1 0 227.264 -0.140 20 5 BBBDRO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000928431537 635917812 /nfs/dbraw/zinc/91/78/12/635917812.db2.gz NTUNFSBIUVVKSS-LURQLKTLSA-N 1 0 227.264 -0.140 20 5 BBBDRO C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000928431538 635917398 /nfs/dbraw/zinc/91/73/98/635917398.db2.gz NTUNFSBIUVVKSS-UYXSQOIJSA-N 1 0 227.264 -0.140 20 5 BBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928552195 645806954 /nfs/dbraw/zinc/80/69/54/645806954.db2.gz IVYZCJKPRYZUCJ-BWZBUEFSSA-N 1 0 213.237 -0.528 20 5 BBBDRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928552197 645805247 /nfs/dbraw/zinc/80/52/47/645805247.db2.gz IVYZCJKPRYZUCJ-XLPZGREQSA-N 1 0 213.237 -0.528 20 5 BBBDRO COC(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929291633 646066646 /nfs/dbraw/zinc/06/66/46/646066646.db2.gz UGRMKCTXDYFSCV-SSDOTTSWSA-N 1 0 202.210 -0.242 20 5 BBBDRO COC(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929291634 646066314 /nfs/dbraw/zinc/06/63/14/646066314.db2.gz UGRMKCTXDYFSCV-ZETCQYMHSA-N 1 0 202.210 -0.242 20 5 BBBDRO CC(C)(O)C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929492602 646148774 /nfs/dbraw/zinc/14/87/74/646148774.db2.gz JKJCOQHUYHWRNO-UHFFFAOYSA-N 1 0 231.296 -0.348 20 5 BBBDRO O=[N+]([O-])CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000929511620 646158852 /nfs/dbraw/zinc/15/88/52/646158852.db2.gz WYIRYDCWQMBWHL-GHMZBOCLSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000929511622 641339230 /nfs/dbraw/zinc/33/92/30/641339230.db2.gz WYIRYDCWQMBWHL-MNOVXSKESA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000929511624 641338456 /nfs/dbraw/zinc/33/84/56/641338456.db2.gz WYIRYDCWQMBWHL-QWRGUYRKSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000929511625 641339474 /nfs/dbraw/zinc/33/94/74/641339474.db2.gz WYIRYDCWQMBWHL-WDEREUQCSA-N 1 0 243.307 -0.206 20 5 BBBDRO CN(CC[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000929518071 646168632 /nfs/dbraw/zinc/16/86/32/646168632.db2.gz LODAQBGRUAOYBX-MRVPVSSYSA-N 1 0 215.253 -0.136 20 5 BBBDRO CN(CC[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000929518072 646168112 /nfs/dbraw/zinc/16/81/12/646168112.db2.gz LODAQBGRUAOYBX-QMMMGPOBSA-N 1 0 215.253 -0.136 20 5 BBBDRO NC(=O)CN(CC[N+](=O)[O-])C1CCCC1 ZINC000929518134 646168981 /nfs/dbraw/zinc/16/89/81/646168981.db2.gz NQDOUQMLQGBETR-UHFFFAOYSA-N 1 0 215.253 -0.007 20 5 BBBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929518525 646168848 /nfs/dbraw/zinc/16/88/48/646168848.db2.gz ROAQNVSCVYENOJ-MRVPVSSYSA-N 1 0 215.253 -0.007 20 5 BBBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929518526 646168269 /nfs/dbraw/zinc/16/82/69/646168269.db2.gz ROAQNVSCVYENOJ-QMMMGPOBSA-N 1 0 215.253 -0.007 20 5 BBBDRO Cc1nc2n(n1)C[C@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC000929584039 646185031 /nfs/dbraw/zinc/18/50/31/646185031.db2.gz PUHBMGVZTIQQFD-MRVPVSSYSA-N 1 0 225.252 -0.232 20 5 BBBDRO Cc1nc2n(n1)C[C@@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC000929584040 646184974 /nfs/dbraw/zinc/18/49/74/646184974.db2.gz PUHBMGVZTIQQFD-QMMMGPOBSA-N 1 0 225.252 -0.232 20 5 BBBDRO CNC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929620351 646203750 /nfs/dbraw/zinc/20/37/50/646203750.db2.gz QLNKKKYLTLLSKL-MRVPVSSYSA-N 1 0 215.253 -0.279 20 5 BBBDRO CNC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929620352 646203176 /nfs/dbraw/zinc/20/31/76/646203176.db2.gz QLNKKKYLTLLSKL-QMMMGPOBSA-N 1 0 215.253 -0.279 20 5 BBBDRO NC(=O)C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929770612 641520218 /nfs/dbraw/zinc/52/02/18/641520218.db2.gz GDXZLHSHFWZQBL-MRVPVSSYSA-N 1 0 215.253 -0.150 20 5 BBBDRO NC(=O)C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929770613 641519942 /nfs/dbraw/zinc/51/99/42/641519942.db2.gz GDXZLHSHFWZQBL-QMMMGPOBSA-N 1 0 215.253 -0.150 20 5 BBBDRO CNC(=O)[C@H](C)C[N@H+](C)CC[N+](=O)[O-] ZINC000929776437 641529372 /nfs/dbraw/zinc/52/93/72/641529372.db2.gz MUILVEPALBQSHL-SSDOTTSWSA-N 1 0 203.242 -0.423 20 5 BBBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC[N+](=O)[O-] ZINC000929776438 641528978 /nfs/dbraw/zinc/52/89/78/641528978.db2.gz MUILVEPALBQSHL-ZETCQYMHSA-N 1 0 203.242 -0.423 20 5 BBBDRO CC(C)(CO)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929980444 646384904 /nfs/dbraw/zinc/38/49/04/646384904.db2.gz KMZZIWUOGXKYSL-UHFFFAOYSA-N 1 0 231.296 -0.348 20 5 BBBDRO CNC(=O)C1([NH2+]CC[N+](=O)[O-])CCCC1 ZINC000929981108 646383738 /nfs/dbraw/zinc/38/37/38/646383738.db2.gz NCEZSQMNODLCIB-UHFFFAOYSA-N 1 0 215.253 -0.089 20 5 BBBDRO NC(=O)C1([NH2+]CC[N+](=O)[O-])CCCC1 ZINC000930001520 646390795 /nfs/dbraw/zinc/39/07/95/646390795.db2.gz UFFPKHZPGUAHAQ-UHFFFAOYSA-N 1 0 201.226 -0.349 20 5 BBBDRO CC(C)(C)[C@H]([NH2+]CC[N+](=O)[O-])C(N)=O ZINC000930011972 646392157 /nfs/dbraw/zinc/39/21/57/646392157.db2.gz SZRODOCANGUPJU-ZCFIWIBFSA-N 1 0 203.242 -0.247 20 5 BBBDRO COC[C@@](C)(CC(=O)OC)[NH2+]CC[N+](=O)[O-] ZINC000930019381 646397122 /nfs/dbraw/zinc/39/71/22/646397122.db2.gz UWBUCCSAROSRTK-SECBINFHSA-N 1 0 234.252 -0.179 20 5 BBBDRO COC[C@](C)(CC(=O)OC)[NH2+]CC[N+](=O)[O-] ZINC000930019382 646396686 /nfs/dbraw/zinc/39/66/86/646396686.db2.gz UWBUCCSAROSRTK-VIFPVBQESA-N 1 0 234.252 -0.179 20 5 BBBDRO COC(=O)CC1([NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000930033625 646404407 /nfs/dbraw/zinc/40/44/07/646404407.db2.gz SOALZTZHAVNSRH-UHFFFAOYSA-N 1 0 246.263 -0.035 20 5 BBBDRO CNC(=O)CCC[N@H+](C)CC[N+](=O)[O-] ZINC000930081582 642354782 /nfs/dbraw/zinc/35/47/82/642354782.db2.gz DELHBKHPOVUXAZ-UHFFFAOYSA-N 1 0 203.242 -0.279 20 5 BBBDRO CNC(=O)[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930224800 639644097 /nfs/dbraw/zinc/64/40/97/639644097.db2.gz RDLXSBBECMMMIZ-ZETCQYMHSA-N 1 0 203.242 -0.377 20 5 BBBDRO COCCC[N@H+](CCO)CC[N+](=O)[O-] ZINC000930251404 639660205 /nfs/dbraw/zinc/66/02/05/639660205.db2.gz WRTZBGODNNVCSQ-UHFFFAOYSA-N 1 0 206.242 -0.406 20 5 BBBDRO O=C1C[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)CN1 ZINC000930264953 639670115 /nfs/dbraw/zinc/67/01/15/639670115.db2.gz AWXNYTDUHQEQSX-SECBINFHSA-N 1 0 213.237 -0.525 20 5 BBBDRO O=C1C[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)CN1 ZINC000930264954 639669955 /nfs/dbraw/zinc/66/99/55/639669955.db2.gz AWXNYTDUHQEQSX-VIFPVBQESA-N 1 0 213.237 -0.525 20 5 BBBDRO CNC(=O)[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930307020 639693919 /nfs/dbraw/zinc/69/39/19/639693919.db2.gz YIRBVTPRPGSYHR-SECBINFHSA-N 1 0 215.253 -0.279 20 5 BBBDRO CNC(=O)[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930307022 639692743 /nfs/dbraw/zinc/69/27/43/639692743.db2.gz YIRBVTPRPGSYHR-VIFPVBQESA-N 1 0 215.253 -0.279 20 5 BBBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930326736 639708329 /nfs/dbraw/zinc/70/83/29/639708329.db2.gz MIKWJIZJSWYFQF-BQBZGAKWSA-N 1 0 201.226 -0.623 20 5 BBBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930326746 639707755 /nfs/dbraw/zinc/70/77/55/639707755.db2.gz MIKWJIZJSWYFQF-NKWVEPMBSA-N 1 0 201.226 -0.623 20 5 BBBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000930326749 639710405 /nfs/dbraw/zinc/71/04/05/639710405.db2.gz MIKWJIZJSWYFQF-RNFRBKRXSA-N 1 0 201.226 -0.623 20 5 BBBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930326752 639708189 /nfs/dbraw/zinc/70/81/89/639708189.db2.gz MIKWJIZJSWYFQF-RQJHMYQMSA-N 1 0 201.226 -0.623 20 5 BBBDRO CCN(CC[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000930326895 639707860 /nfs/dbraw/zinc/70/78/60/639707860.db2.gz UCFRTJZYXAWQJC-SSDOTTSWSA-N 1 0 201.226 -0.527 20 5 BBBDRO CCN(CC[N+](=O)[O-])[C@H]1CCNC1=O ZINC000930326897 639710558 /nfs/dbraw/zinc/71/05/58/639710558.db2.gz UCFRTJZYXAWQJC-ZETCQYMHSA-N 1 0 201.226 -0.527 20 5 BBBDRO CC[N@H+](CCOCCO)CC[N+](=O)[O-] ZINC000930331913 639711443 /nfs/dbraw/zinc/71/14/43/639711443.db2.gz VRISCLAJKJMWRY-UHFFFAOYSA-N 1 0 206.242 -0.406 20 5 BBBDRO CC(C)[N@H+](CCOCCO)CC[N+](=O)[O-] ZINC000930358532 639727793 /nfs/dbraw/zinc/72/77/93/639727793.db2.gz LJAKYTVCEGEGRX-UHFFFAOYSA-N 1 0 220.269 -0.018 20 5 BBBDRO CC(C)[C@@](C)([NH2+]CC[N+](=O)[O-])C(N)=O ZINC000930461518 639762190 /nfs/dbraw/zinc/76/21/90/639762190.db2.gz XMGLEQJQYUWEAA-MRVPVSSYSA-N 1 0 203.242 -0.247 20 5 BBBDRO CC(C)[C@](C)([NH2+]CC[N+](=O)[O-])C(N)=O ZINC000930461519 639763290 /nfs/dbraw/zinc/76/32/90/639763290.db2.gz XMGLEQJQYUWEAA-QMMMGPOBSA-N 1 0 203.242 -0.247 20 5 BBBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000930645203 633978969 /nfs/dbraw/zinc/97/89/69/633978969.db2.gz NOZCCGZHAWZQEG-AOOOYVTPSA-N 1 0 231.296 -0.350 20 5 BBBDRO CCO[C@@H]1COC[C@H]1NCC[N+](=O)[O-] ZINC000930660124 639851160 /nfs/dbraw/zinc/85/11/60/639851160.db2.gz GJTBJHBDIXZYMN-HTQZYQBOSA-N 1 0 204.226 -0.343 20 5 BBBDRO COC(=O)[C@H]1CN(CC[N+](=O)[O-])CC[N@H+](C)C1 ZINC000930713415 639875987 /nfs/dbraw/zinc/87/59/87/639875987.db2.gz GIXIWVWQEZJUNZ-SECBINFHSA-N 1 0 245.279 -0.700 20 5 BBBDRO COC(=O)[C@@H]1CN(CC[N+](=O)[O-])CC[N@H+](C)C1 ZINC000930713420 639867272 /nfs/dbraw/zinc/86/72/72/639867272.db2.gz GIXIWVWQEZJUNZ-VIFPVBQESA-N 1 0 245.279 -0.700 20 5 BBBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930715812 639874844 /nfs/dbraw/zinc/87/48/44/639874844.db2.gz KOOBYCJMCJNQFY-MRVPVSSYSA-N 1 0 215.253 -0.327 20 5 BBBDRO CN(C)C(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930715818 639874815 /nfs/dbraw/zinc/87/48/15/639874815.db2.gz KOOBYCJMCJNQFY-QMMMGPOBSA-N 1 0 215.253 -0.327 20 5 BBBDRO CC(C)(CN1CCOCC1)[NH2+]CC[N+](=O)[O-] ZINC000930723919 639878707 /nfs/dbraw/zinc/87/87/07/639878707.db2.gz WYJXNCBJSVWLKS-UHFFFAOYSA-N 1 0 231.296 -0.037 20 5 BBBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930743654 639892188 /nfs/dbraw/zinc/89/21/88/639892188.db2.gz MUGICKWRDJZYQP-NXEZZACHSA-N 1 0 231.296 -0.350 20 5 BBBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930743655 639892595 /nfs/dbraw/zinc/89/25/95/639892595.db2.gz MUGICKWRDJZYQP-UWVGGRQHSA-N 1 0 231.296 -0.350 20 5 BBBDRO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000930743656 639892298 /nfs/dbraw/zinc/89/22/98/639892298.db2.gz MUGICKWRDJZYQP-VHSXEESVSA-N 1 0 231.296 -0.350 20 5 BBBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930743657 639891771 /nfs/dbraw/zinc/89/17/71/639891771.db2.gz MUGICKWRDJZYQP-ZJUUUORDSA-N 1 0 231.296 -0.350 20 5 BBBDRO CNC(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930748911 639879620 /nfs/dbraw/zinc/87/96/20/639879620.db2.gz ASHJKAAJYAEKNX-SSDOTTSWSA-N 1 0 201.226 -0.669 20 5 BBBDRO CNC(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930748912 639881790 /nfs/dbraw/zinc/88/17/90/639881790.db2.gz ASHJKAAJYAEKNX-ZETCQYMHSA-N 1 0 201.226 -0.669 20 5 BBBDRO COC(=O)CC1([NH2+]CC[N+](=O)[O-])CC1 ZINC000930853966 639950365 /nfs/dbraw/zinc/95/03/65/639950365.db2.gz XHVOSXJGIOXXTJ-UHFFFAOYSA-N 1 0 202.210 -0.052 20 5 BBBDRO O=[N+]([O-])CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888816 639972661 /nfs/dbraw/zinc/97/26/61/639972661.db2.gz WYNQAFFVQKWQGM-DTWKUNHWSA-N 1 0 215.253 -0.986 20 5 BBBDRO C[NH+](C)C[C@@]1(O)CCCN(CC[N+](=O)[O-])C1 ZINC000930903432 639978353 /nfs/dbraw/zinc/97/83/53/639978353.db2.gz LRIRXTNIORZHEK-JTQLQIEISA-N 1 0 231.296 -0.348 20 5 BBBDRO C[NH+](C)C[C@]1(O)CCCN(CC[N+](=O)[O-])C1 ZINC000930903433 639979244 /nfs/dbraw/zinc/97/92/44/639979244.db2.gz LRIRXTNIORZHEK-SNVBAGLBSA-N 1 0 231.296 -0.348 20 5 BBBDRO O=[N+]([O-])CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000930905931 639979321 /nfs/dbraw/zinc/97/93/21/639979321.db2.gz VQHHZYFPEIPJCA-YUMQZZPRSA-N 1 0 204.226 -0.919 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000930925530 639989073 /nfs/dbraw/zinc/98/90/73/639989073.db2.gz ZNKOBLAGKMLIOE-SECBINFHSA-N 1 0 225.252 -0.123 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000930925531 639988188 /nfs/dbraw/zinc/98/81/88/639988188.db2.gz ZNKOBLAGKMLIOE-VIFPVBQESA-N 1 0 225.252 -0.123 20 5 BBBDRO CO[C@]1(CO)CCCN(CC[N+](=O)[O-])C1 ZINC000930961978 639997513 /nfs/dbraw/zinc/99/75/13/639997513.db2.gz ILNDDVLISGIHKN-SECBINFHSA-N 1 0 218.253 -0.264 20 5 BBBDRO CO[C@@]1(CO)CCCN(CC[N+](=O)[O-])C1 ZINC000930961979 639999388 /nfs/dbraw/zinc/99/93/88/639999388.db2.gz ILNDDVLISGIHKN-VIFPVBQESA-N 1 0 218.253 -0.264 20 5 BBBDRO O=C1CC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]2N1 ZINC000930996186 640013479 /nfs/dbraw/zinc/01/34/79/640013479.db2.gz LQBKNLLGZCVJMC-BDAKNGLRSA-N 1 0 227.264 -0.136 20 5 BBBDRO O=C1CC[C@H]2C[N@H+](CC[N+](=O)[O-])CC[C@H]2N1 ZINC000930996187 640014958 /nfs/dbraw/zinc/01/49/58/640014958.db2.gz LQBKNLLGZCVJMC-DTWKUNHWSA-N 1 0 227.264 -0.136 20 5 BBBDRO O=C1CC[C@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]2N1 ZINC000930996188 640013173 /nfs/dbraw/zinc/01/31/73/640013173.db2.gz LQBKNLLGZCVJMC-IUCAKERBSA-N 1 0 227.264 -0.136 20 5 BBBDRO O=C1CC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@H]2N1 ZINC000930996189 640014194 /nfs/dbraw/zinc/01/41/94/640014194.db2.gz LQBKNLLGZCVJMC-RKDXNWHRSA-N 1 0 227.264 -0.136 20 5 BBBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC[N+](=O)[O-] ZINC000931054126 640041058 /nfs/dbraw/zinc/04/10/58/640041058.db2.gz GZZYNXAMXCRWRO-HTQZYQBOSA-N 1 0 204.226 -0.919 20 5 BBBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC[N+](=O)[O-] ZINC000931054127 640042224 /nfs/dbraw/zinc/04/22/24/640042224.db2.gz GZZYNXAMXCRWRO-JGVFFNPUSA-N 1 0 204.226 -0.919 20 5 BBBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC[N+](=O)[O-] ZINC000931054128 640040408 /nfs/dbraw/zinc/04/04/08/640040408.db2.gz GZZYNXAMXCRWRO-SFYZADRCSA-N 1 0 204.226 -0.919 20 5 BBBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC[N+](=O)[O-] ZINC000931054129 640041733 /nfs/dbraw/zinc/04/17/33/640041733.db2.gz GZZYNXAMXCRWRO-YUMQZZPRSA-N 1 0 204.226 -0.919 20 5 BBBDRO O=[N+]([O-])CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066010 634208867 /nfs/dbraw/zinc/20/88/67/634208867.db2.gz GVZROZHUSAKXTJ-LLVKDONJSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066014 634209088 /nfs/dbraw/zinc/20/90/88/634209088.db2.gz GVZROZHUSAKXTJ-NSHDSACASA-N 1 0 243.307 -0.206 20 5 BBBDRO C[C@]1(CO)CN(CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931254520 640115286 /nfs/dbraw/zinc/11/52/86/640115286.db2.gz DZSDHVWJRQLSHB-AOOOYVTPSA-N 1 0 232.280 -0.424 20 5 BBBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000931264558 640122098 /nfs/dbraw/zinc/12/20/98/640122098.db2.gz AOSWUBXRIPUAQU-KNVOCYPGSA-N 1 0 201.226 -0.541 20 5 BBBDRO O=C1OC[C@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]12 ZINC000931336604 634360306 /nfs/dbraw/zinc/36/03/06/634360306.db2.gz SQQQNIGNDWFBFT-RNFRBKRXSA-N 1 0 200.194 -0.632 20 5 BBBDRO C[C@]12C[N@H+](CC[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000931381736 640171679 /nfs/dbraw/zinc/17/16/79/640171679.db2.gz CXSNVDUTCAJDAP-AOOOYVTPSA-N 1 0 241.247 -0.752 20 5 BBBDRO C[C@]12C[NH+](CC[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000931381737 640172755 /nfs/dbraw/zinc/17/27/55/640172755.db2.gz CXSNVDUTCAJDAP-NXEZZACHSA-N 1 0 241.247 -0.752 20 5 BBBDRO C[C@@]12C[NH+](CC[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000931381741 640171707 /nfs/dbraw/zinc/17/17/07/640171707.db2.gz CXSNVDUTCAJDAP-UWVGGRQHSA-N 1 0 241.247 -0.752 20 5 BBBDRO CO[C@H]1C[N@H+](CC[N+](=O)[O-])[C@](C)(CO)C1 ZINC000931471796 640228481 /nfs/dbraw/zinc/22/84/81/640228481.db2.gz ULHMNQPNQNAREJ-BDAKNGLRSA-N 1 0 218.253 -0.265 20 5 BBBDRO CO[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471798 640227819 /nfs/dbraw/zinc/22/78/19/640227819.db2.gz ULHMNQPNQNAREJ-DTWKUNHWSA-N 1 0 218.253 -0.265 20 5 BBBDRO CO[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@](C)(CO)C1 ZINC000931471800 640228449 /nfs/dbraw/zinc/22/84/49/640228449.db2.gz ULHMNQPNQNAREJ-IUCAKERBSA-N 1 0 218.253 -0.265 20 5 BBBDRO CO[C@H]1C[N@H+](CC[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471801 640215938 /nfs/dbraw/zinc/21/59/38/640215938.db2.gz ULHMNQPNQNAREJ-RKDXNWHRSA-N 1 0 218.253 -0.265 20 5 BBBDRO C[NH+](C)CC1(O)CCN(CC[N+](=O)[O-])CC1 ZINC000931479646 640235085 /nfs/dbraw/zinc/23/50/85/640235085.db2.gz XJNHHPYRPVAPKH-UHFFFAOYSA-N 1 0 231.296 -0.348 20 5 BBBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000931501941 640237245 /nfs/dbraw/zinc/23/72/45/640237245.db2.gz JJUWFWVRRQHJOH-DTWKUNHWSA-N 1 0 218.253 -0.672 20 5 BBBDRO O=[N+]([O-])CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000931615843 640290022 /nfs/dbraw/zinc/29/00/22/640290022.db2.gz JRUHEXDWXAQMGP-VHSXEESVSA-N 1 0 229.280 -0.596 20 5 BBBDRO COC1(OC)CCN(CC[N+](=O)[O-])C[C@H]1O ZINC000931631537 640296277 /nfs/dbraw/zinc/29/62/77/640296277.db2.gz KNYROMDEEXFSCW-MRVPVSSYSA-N 1 0 234.252 -0.681 20 5 BBBDRO COC1(OC)CCN(CC[N+](=O)[O-])C[C@@H]1O ZINC000931631541 640297828 /nfs/dbraw/zinc/29/78/28/640297828.db2.gz KNYROMDEEXFSCW-QMMMGPOBSA-N 1 0 234.252 -0.681 20 5 BBBDRO CC(=O)N1C[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]2C1 ZINC000931687066 640316867 /nfs/dbraw/zinc/31/68/67/640316867.db2.gz QDTJLULOARXFMM-AOOOYVTPSA-N 1 0 227.264 -0.327 20 5 BBBDRO CO[C@H]1COCC[C@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000931700795 635252536 /nfs/dbraw/zinc/25/25/36/635252536.db2.gz YVTNMLZYOYFGDG-BDAKNGLRSA-N 1 0 218.253 -0.001 20 5 BBBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000931700796 635251970 /nfs/dbraw/zinc/25/19/70/635251970.db2.gz YVTNMLZYOYFGDG-DTWKUNHWSA-N 1 0 218.253 -0.001 20 5 BBBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000931700797 635253514 /nfs/dbraw/zinc/25/35/14/635253514.db2.gz YVTNMLZYOYFGDG-IUCAKERBSA-N 1 0 218.253 -0.001 20 5 BBBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000931700798 635252979 /nfs/dbraw/zinc/25/29/79/635252979.db2.gz YVTNMLZYOYFGDG-RKDXNWHRSA-N 1 0 218.253 -0.001 20 5 BBBDRO O=[N+]([O-])CCN1CCCn2nncc2C1 ZINC000931744766 640342510 /nfs/dbraw/zinc/34/25/10/640342510.db2.gz UGVIDPUKARNBTK-UHFFFAOYSA-N 1 0 211.225 -0.240 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000931746043 640347231 /nfs/dbraw/zinc/34/72/31/640347231.db2.gz KEEZDUCTDUGXHG-HRDYMLBCSA-N 1 0 200.238 -0.034 20 5 BBBDRO CC[C@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C(N)=O ZINC000931762293 640354105 /nfs/dbraw/zinc/35/41/05/640354105.db2.gz UZOUUPJWRREWBH-BQBZGAKWSA-N 1 0 203.242 -0.247 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931997753 640406426 /nfs/dbraw/zinc/40/64/26/640406426.db2.gz CUUHMNAFYNZIBB-MRVPVSSYSA-N 1 0 216.237 -0.042 20 5 BBBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931997854 640408231 /nfs/dbraw/zinc/40/82/31/640408231.db2.gz CUUHMNAFYNZIBB-QMMMGPOBSA-N 1 0 216.237 -0.042 20 5 BBBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000933748362 640763154 /nfs/dbraw/zinc/76/31/54/640763154.db2.gz MZMIJCXUNIKOBA-WPRPVWTQSA-N 1 0 227.264 -0.150 20 5 BBBDRO CC[N@H+](CCC(=O)NC)CC[N+](=O)[O-] ZINC000933862443 640773852 /nfs/dbraw/zinc/77/38/52/640773852.db2.gz ZIWKMDGBUNPINJ-UHFFFAOYSA-N 1 0 203.242 -0.279 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]2CO)c1 ZINC000934018461 631616536 /nfs/dbraw/zinc/61/65/36/631616536.db2.gz VSNJDSRZPOAMAH-MRVPVSSYSA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]2CO)c1 ZINC000934018471 631617046 /nfs/dbraw/zinc/61/70/46/631617046.db2.gz VSNJDSRZPOAMAH-QMMMGPOBSA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]2CO)n1 ZINC000934025830 631602508 /nfs/dbraw/zinc/60/25/08/631602508.db2.gz IUMSMVLGISNKSZ-MRVPVSSYSA-N 1 0 226.236 -0.142 20 5 BBBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]2CO)n1 ZINC000934025831 631604796 /nfs/dbraw/zinc/60/47/96/631604796.db2.gz IUMSMVLGISNKSZ-QMMMGPOBSA-N 1 0 226.236 -0.142 20 5 BBBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000934036811 631635850 /nfs/dbraw/zinc/63/58/50/631635850.db2.gz PKPDGEPKFKUXOE-HTQZYQBOSA-N 1 0 204.226 -0.343 20 5 BBBDRO O=[N+]([O-])CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934271391 631754105 /nfs/dbraw/zinc/75/41/05/631754105.db2.gz FPNKJXUSSAPYLH-GHMZBOCLSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934271394 631754494 /nfs/dbraw/zinc/75/44/94/631754494.db2.gz FPNKJXUSSAPYLH-MNOVXSKESA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934271396 631754226 /nfs/dbraw/zinc/75/42/26/631754226.db2.gz FPNKJXUSSAPYLH-QWRGUYRKSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=[N+]([O-])CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934271399 631754703 /nfs/dbraw/zinc/75/47/03/631754703.db2.gz FPNKJXUSSAPYLH-WDEREUQCSA-N 1 0 243.307 -0.206 20 5 BBBDRO O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138807 643060706 /nfs/dbraw/zinc/06/07/06/643060706.db2.gz BHTLOJVNRSAFBM-FNCVBFRFSA-N 1 0 245.254 -0.142 20 5 BBBDRO CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139865 643061728 /nfs/dbraw/zinc/06/17/28/643061728.db2.gz PVKZSIIPXOVSSS-FNCVBFRFSA-N 1 0 227.264 -0.092 20 5 BBBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063415 631325330 /nfs/dbraw/zinc/32/53/30/631325330.db2.gz BHTLOJVNRSAFBM-BZNPZCIMSA-N 1 0 245.254 -0.142 20 5 BBBDRO CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063936 631323556 /nfs/dbraw/zinc/32/35/56/631323556.db2.gz PVKZSIIPXOVSSS-BZNPZCIMSA-N 1 0 227.264 -0.092 20 5 BBBDRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777177 633767085 /nfs/dbraw/zinc/76/70/85/633767085.db2.gz LADBAMQNZNXVSH-SPFKKGSWSA-N 1 0 239.275 -0.282 20 5 BBBDRO CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662768 642515144 /nfs/dbraw/zinc/51/51/44/642515144.db2.gz LPOJQHBDPHVDLJ-RKDXNWHRSA-N 1 0 227.264 -0.281 20 5 BBBDRO