smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](C(=O)[O-])[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000700752773 976968507 /nfs/dbraw/zinc/96/85/07/976968507.db2.gz CELUTZUBQQFXNN-GFCCVEGCSA-N 1 0 240.347 1.289 10 30 BDEERO CC[C@@H](C)[C@@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953430 538898298 /nfs/dbraw/zinc/89/82/98/538898298.db2.gz MKVHKXDMVNIYON-ZJUUUORDSA-N 1 0 211.305 1.705 10 30 BDEERO CC[C@@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953746 538898796 /nfs/dbraw/zinc/89/87/96/538898796.db2.gz PLNAXGQTVSNCRI-MNOVXSKESA-N 1 0 223.316 1.720 10 30 BDEERO CC[C@@H]1CC[C@H](C#CC(=O)OC(C)(C)C)[NH2+]1 ZINC000685952791 538896762 /nfs/dbraw/zinc/89/67/62/538896762.db2.gz DCITZMFTIGPWQH-GHMZBOCLSA-N 1 0 223.316 1.862 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]([NH3+])C1CCC1 ZINC000685953011 538896802 /nfs/dbraw/zinc/89/68/02/538896802.db2.gz IQOMWXQKRCQSON-JTQLQIEISA-N 1 0 209.289 1.459 10 30 BDEERO Cc1cc(C#N)nc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382477096 398173506 /nfs/dbraw/zinc/17/35/06/398173506.db2.gz UFOTXOWWBFNUCB-ZJUUUORDSA-N 1 0 231.303 1.196 10 30 BDEERO C[NH+](C)C[C@@H](O)CC1(C#N)CCCCC1 ZINC000379949474 398196527 /nfs/dbraw/zinc/19/65/27/398196527.db2.gz DRFNEXQVJJCXFP-NSHDSACASA-N 1 0 210.321 1.773 10 30 BDEERO N#Cc1cnccc1[C@H]1CC[NH2+]C[C@@H]1F ZINC000098091643 187328289 /nfs/dbraw/zinc/32/82/89/187328289.db2.gz LOHFWBVSRHAFSN-MNOVXSKESA-N 1 0 205.236 1.368 10 30 BDEERO N#C[C@H]1CCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000310323437 136220590 /nfs/dbraw/zinc/22/05/90/136220590.db2.gz ZMWOHVNIKOYKLY-BXUZGUMPSA-N 1 0 233.359 1.895 10 30 BDEERO Cc1ccc(C#N)c(NC2CC([NH3+])C2)n1 ZINC000043395887 178362923 /nfs/dbraw/zinc/36/29/23/178362923.db2.gz VWBWZZGQVKMJID-UHFFFAOYSA-N 1 0 202.261 1.163 10 30 BDEERO Cc1ccc(C#N)c(NCCN2CC[NH2+]CC2)c1 ZINC000051581033 178363888 /nfs/dbraw/zinc/36/38/88/178363888.db2.gz OUCSUKAEHPBVLJ-UHFFFAOYSA-N 1 0 244.342 1.184 10 30 BDEERO Cc1ccc(C#N)c(OC[C@H]2CC[NH2+]C2)n1 ZINC000051888645 178365251 /nfs/dbraw/zinc/36/52/51/178365251.db2.gz QJUBXUWBNTWLEJ-JTQLQIEISA-N 1 0 217.272 1.250 10 30 BDEERO N#Cc1cccc([C@H]2CC[N@@H+](CCO)C2)c1 ZINC000616612977 349590483 /nfs/dbraw/zinc/59/04/83/349590483.db2.gz FJKNMPOAKRHNNE-ZDUSSCGKSA-N 1 0 216.284 1.340 10 30 BDEERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])cc(C#N)n1 ZINC000320981765 342748376 /nfs/dbraw/zinc/74/83/76/342748376.db2.gz XSJSRMUUCDQGBR-BDAKNGLRSA-N 1 0 218.304 1.799 10 30 BDEERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095075926 398279714 /nfs/dbraw/zinc/27/97/14/398279714.db2.gz DBJSFVMTFWAVNW-UONOGXRCSA-N 1 0 230.311 1.725 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1cccnc1C#N ZINC000320709093 342734987 /nfs/dbraw/zinc/73/49/87/342734987.db2.gz PJXHHJWTRLSBLN-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000071139970 361960321 /nfs/dbraw/zinc/96/03/21/361960321.db2.gz HSJJWPRIACOFJK-LBPRGKRZSA-N 1 0 249.358 1.623 10 30 BDEERO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000602594649 349643319 /nfs/dbraw/zinc/64/33/19/349643319.db2.gz ZEECIYXBDSYYKY-HBNTYKKESA-N 1 0 223.320 1.135 10 30 BDEERO C[C@@H]1C[N@H+](C(C)(C)C=O)C[C@H](C)S1 ZINC000306669977 362032591 /nfs/dbraw/zinc/03/25/91/362032591.db2.gz BXVLIFYIAHMKQT-DTORHVGOSA-N 1 0 201.335 1.790 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309977158 343124514 /nfs/dbraw/zinc/12/45/14/343124514.db2.gz UELALRWPSKLAOY-WDEREUQCSA-N 1 0 223.320 1.137 10 30 BDEERO CO[C@H]1C[C@H](CO)[N@H+](CC#Cc2ccccc2)C1 ZINC000344734795 365721250 /nfs/dbraw/zinc/72/12/50/365721250.db2.gz XNVLIKLSJLFAGQ-CABCVRRESA-N 1 0 245.322 1.120 10 30 BDEERO C=C[C@@H](OC)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000238397988 343255590 /nfs/dbraw/zinc/25/55/90/343255590.db2.gz CCTGPWOOFSHIEI-VXGBXAGGSA-N 1 0 207.273 1.896 10 30 BDEERO N[NH+]=C(N)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127128716 343233514 /nfs/dbraw/zinc/23/35/14/343233514.db2.gz CSCTZFZFVCFOPY-PHDIDXHHSA-N 1 0 209.215 1.586 10 30 BDEERO C[C@@H]1CO[C@H](c2ccc(C#N)cc2)C[NH2+]1 ZINC000036673398 187250071 /nfs/dbraw/zinc/25/00/71/187250071.db2.gz MVERVMLJBAMJOF-SKDRFNHKSA-N 1 0 202.257 1.608 10 30 BDEERO C=CC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000036269560 187258683 /nfs/dbraw/zinc/25/86/83/187258683.db2.gz UJQLYJKUDPTJTL-UHFFFAOYSA-N 1 0 233.296 1.390 10 30 BDEERO C[C@H]([NH3+])c1ccccc1OCC(=O)NCCC#N ZINC000037697683 187260310 /nfs/dbraw/zinc/26/03/10/187260310.db2.gz QTACKKGLFDNAIT-JTQLQIEISA-N 1 0 247.298 1.115 10 30 BDEERO COc1ccc([C@H](C#N)NCC[NH+](C)C)cc1O ZINC000037940684 187261594 /nfs/dbraw/zinc/26/15/94/187261594.db2.gz FXGYZEGJELUFOI-NSHDSACASA-N 1 0 249.314 1.117 10 30 BDEERO CC(C)[NH+]1CCC(C#N)(NCC(F)(F)F)CC1 ZINC000037970921 187262318 /nfs/dbraw/zinc/26/23/18/187262318.db2.gz LWMJDLFBRJAOFM-UHFFFAOYSA-N 1 0 249.280 1.905 10 30 BDEERO N#Cc1cccc([C@@H]([NH2+]CC2CC2)C(N)=O)c1 ZINC000037947083 187262067 /nfs/dbraw/zinc/26/20/67/187262067.db2.gz AJUFIZTZSBXQLI-GFCCVEGCSA-N 1 0 229.283 1.084 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCC1 ZINC000083798238 343672091 /nfs/dbraw/zinc/67/20/91/343672091.db2.gz UQPVCCLVRGRWEG-LLVKDONJSA-N 1 0 235.331 1.090 10 30 BDEERO CC(C)OCc1cc(C#CC[NH3+])cs1 ZINC000043689317 343701093 /nfs/dbraw/zinc/70/10/93/343701093.db2.gz RBYMVUHXIMHWKT-UHFFFAOYSA-N 1 0 209.314 1.983 10 30 BDEERO C#CCn1cc(CC[NH3+])c(C(F)(F)F)n1 ZINC000409440100 343854657 /nfs/dbraw/zinc/85/46/57/343854657.db2.gz RUKLADCCECXQIP-UHFFFAOYSA-N 1 0 217.194 1.036 10 30 BDEERO N#C[C@@H](c1ccc(Cl)cc1)N1CC([NH3+])C1 ZINC000409440858 343856135 /nfs/dbraw/zinc/85/61/35/343856135.db2.gz MLDFXCMYVOIGKS-NSHDSACASA-N 1 0 221.691 1.548 10 30 BDEERO N#C[C@@H](c1ccc(Cl)cc1)N1CC(C[NH3+])C1 ZINC000409437658 343840937 /nfs/dbraw/zinc/84/09/37/343840937.db2.gz APTVOLPKMUWYTB-LBPRGKRZSA-N 1 0 235.718 1.795 10 30 BDEERO C=C(Br)CN[C@]1(C)CC[NH2+]C1 ZINC000230736952 346999476 /nfs/dbraw/zinc/99/94/76/346999476.db2.gz TZIYNCPKRPKZNL-MRVPVSSYSA-N 1 0 219.126 1.237 10 30 BDEERO N#Cc1ccc(NCC[NH2+]C2CC2)c(F)c1 ZINC000054267912 343885057 /nfs/dbraw/zinc/88/50/57/343885057.db2.gz RNJFXFNJTPOVAA-UHFFFAOYSA-N 1 0 219.263 1.861 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC=C(Cl)Cl)N1 ZINC000407432816 343936171 /nfs/dbraw/zinc/93/61/71/343936171.db2.gz PZDKVKKXFSEWHN-RXMQYKEDSA-N 1 0 208.092 1.243 10 30 BDEERO C#CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000165619436 343937903 /nfs/dbraw/zinc/93/79/03/343937903.db2.gz DFQZCAYJJOSTOK-LLVKDONJSA-N 1 0 238.331 1.609 10 30 BDEERO CC(C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049616518 187357894 /nfs/dbraw/zinc/35/78/94/187357894.db2.gz SFPVRPVLVAMGQR-UHFFFAOYSA-N 1 0 247.338 1.749 10 30 BDEERO CC#CCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000126260923 344172680 /nfs/dbraw/zinc/17/26/80/344172680.db2.gz ZEHCVNWQURHHJP-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C=C(C)C(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616572169 344183062 /nfs/dbraw/zinc/18/30/62/344183062.db2.gz VRMVUZWOOPFQSE-NEPJUHHUSA-N 1 0 224.348 1.784 10 30 BDEERO CC[N@@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC000389360906 344495745 /nfs/dbraw/zinc/49/57/45/344495745.db2.gz XHQMBFQSUCJRRG-JTQLQIEISA-N 1 0 231.303 1.163 10 30 BDEERO C[C@@H]([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000235180083 344836191 /nfs/dbraw/zinc/83/61/91/344836191.db2.gz SQFBRZALKAPPOR-SCSAIBSYSA-N 1 0 216.697 1.427 10 30 BDEERO C[C@@H]([NH3+])CCNc1nc(Cl)c(C#N)s1 ZINC000235157281 344824581 /nfs/dbraw/zinc/82/45/81/344824581.db2.gz DTWYGODGVVVORB-RXMQYKEDSA-N 1 0 230.724 1.817 10 30 BDEERO N#Cc1ccncc1NCC[NH2+]C1CC1 ZINC000135801294 344894358 /nfs/dbraw/zinc/89/43/58/344894358.db2.gz XODSEEMZYAFTAP-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO N#Cc1cc(F)ccc1NCC[NH2+]C1CC1 ZINC000082516562 345300822 /nfs/dbraw/zinc/30/08/22/345300822.db2.gz NHMUIXNSULHSEO-UHFFFAOYSA-N 1 0 219.263 1.861 10 30 BDEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248603865 345431336 /nfs/dbraw/zinc/43/13/36/345431336.db2.gz BPZWQLRSRBGXPJ-OLZOCXBDSA-N 1 0 236.359 1.895 10 30 BDEERO CC[C@@H]1CN(c2nc(C)cc(C#N)n2)CC[C@H]1[NH3+] ZINC000300428774 345853577 /nfs/dbraw/zinc/85/35/77/345853577.db2.gz FNLPRISRHRTWJW-ZYHUDNBSSA-N 1 0 245.330 1.220 10 30 BDEERO C=CC[NH2+]C[C@@H](C)Sc1nnc2ccccn21 ZINC000061409128 187361462 /nfs/dbraw/zinc/36/14/62/187361462.db2.gz SEUZDOIBWWZONH-SNVBAGLBSA-N 1 0 248.355 1.986 10 30 BDEERO CC(=O)N1CCC[C@H]1C#CC[NH+]1CCCC1 ZINC000004631809 187363791 /nfs/dbraw/zinc/36/37/91/187363791.db2.gz JNDOCQKNQCJTBA-CYBMUJFWSA-N 1 0 220.316 1.097 10 30 BDEERO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000235953406 346175089 /nfs/dbraw/zinc/17/50/89/346175089.db2.gz NRENPVLVXXDWQU-QWHCGFSZSA-N 1 0 232.331 1.864 10 30 BDEERO N[NH+]=C(N)c1cc(Cl)cc(Br)c1 ZINC000236198304 346206129 /nfs/dbraw/zinc/20/61/29/346206129.db2.gz PDXMGEXJMFKGEE-UHFFFAOYSA-N 1 0 248.511 1.682 10 30 BDEERO C[C@@H]([NH3+])C#Cc1occc1Br ZINC000166996672 346180869 /nfs/dbraw/zinc/18/08/69/346180869.db2.gz OCYBSILCNGNXLM-ZCFIWIBFSA-N 1 0 214.062 1.741 10 30 BDEERO N#Cc1sc(NC2C[NH2+]C2)nc1Cl ZINC000236075517 346189031 /nfs/dbraw/zinc/18/90/31/346189031.db2.gz RTACYUCKNJJRID-UHFFFAOYSA-N 1 0 214.681 1.052 10 30 BDEERO C#C[C@H]([NH3+])[C@H]1CSc2ccccc2O1 ZINC000236290283 346221259 /nfs/dbraw/zinc/22/12/59/346221259.db2.gz GJGHCRNMWQPEIT-WCBMZHEXSA-N 1 0 205.282 1.500 10 30 BDEERO NC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000039208751 346239511 /nfs/dbraw/zinc/23/95/11/346239511.db2.gz RQLKFTFGNLIAFC-UHFFFAOYSA-N 1 0 204.060 1.898 10 30 BDEERO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854925 346463124 /nfs/dbraw/zinc/46/31/24/346463124.db2.gz CXKULUWQXOOPMI-RYUDHWBXSA-N 1 0 240.347 1.130 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000309544863 347097541 /nfs/dbraw/zinc/09/75/41/347097541.db2.gz ZKHYABKUYPREBF-RYUDHWBXSA-N 1 0 218.304 1.555 10 30 BDEERO N[NH+]=C(N)Nc1ccc(F)cc1Cl ZINC000164576537 346610472 /nfs/dbraw/zinc/61/04/72/346610472.db2.gz SFDYMLLHBCSMJX-UHFFFAOYSA-N 1 0 202.620 1.079 10 30 BDEERO N#Cc1cnccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580704811 365846709 /nfs/dbraw/zinc/84/67/09/365846709.db2.gz MKSVAQRZJSBFBT-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO C[C@]1(CNc2cncc(C#N)n2)CCC[NH2+]C1 ZINC000401510868 346764830 /nfs/dbraw/zinc/76/48/30/346764830.db2.gz MFVHIBJLTBHOHJ-LBPRGKRZSA-N 1 0 231.303 1.150 10 30 BDEERO C[C@@H](CCC#N)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000593014332 347844657 /nfs/dbraw/zinc/84/46/57/347844657.db2.gz IPDPAXXBILPXPM-STQMWFEESA-N 1 0 237.347 1.085 10 30 BDEERO N#Cc1cc(NCCC2CC[NH2+]CC2)ccn1 ZINC000593232872 347873246 /nfs/dbraw/zinc/87/32/46/347873246.db2.gz FZYSXTQLHMANJH-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO Cc1ccccc1[C@@H](C#N)N1CCC[NH2+]CC1 ZINC000037940474 179315994 /nfs/dbraw/zinc/31/59/94/179315994.db2.gz RCTPGGAWQJAGQT-CQSZACIVSA-N 1 0 229.327 1.855 10 30 BDEERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(CC#N)CC#N ZINC000043034086 179347428 /nfs/dbraw/zinc/34/74/28/179347428.db2.gz VKDGTECCGMLWDA-JSGCOSHPSA-N 1 0 242.326 1.732 10 30 BDEERO CC#CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000119108423 348200142 /nfs/dbraw/zinc/20/01/42/348200142.db2.gz LLGWERHINXWCAQ-ZDUSSCGKSA-N 1 0 244.342 1.401 10 30 BDEERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595979523 348414308 /nfs/dbraw/zinc/41/43/08/348414308.db2.gz AUZLLBSPUOFTDH-GMXVVIOVSA-N 1 0 235.331 1.137 10 30 BDEERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980418 348415206 /nfs/dbraw/zinc/41/52/06/348415206.db2.gz HXAIQXOWEKEWTD-ZYHUDNBSSA-N 1 0 223.320 1.122 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000595982774 348418560 /nfs/dbraw/zinc/41/85/60/348418560.db2.gz XMDFFWCSYVYSAE-DGCLKSJQSA-N 1 0 235.331 1.138 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nc(C)ccc1C#N ZINC000596031192 348426786 /nfs/dbraw/zinc/42/67/86/348426786.db2.gz BJPILCAOZCTPFJ-VIFPVBQESA-N 1 0 204.277 1.282 10 30 BDEERO Cc1ccsc1[C@H](C#N)N1CC[NH2+]CC1 ZINC000041637778 179554052 /nfs/dbraw/zinc/55/40/52/179554052.db2.gz GPSQXDHCQZHVQN-JTQLQIEISA-N 1 0 221.329 1.526 10 30 BDEERO C=C(C)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616573555 349071682 /nfs/dbraw/zinc/07/16/82/349071682.db2.gz ZNLLPKPXBOLAFT-UHFFFAOYSA-N 1 0 224.348 1.786 10 30 BDEERO Cc1nc(NC2C[NH2+]C2)c(Cl)cc1C#N ZINC000309119399 350035768 /nfs/dbraw/zinc/03/57/68/350035768.db2.gz MZFZCSRVMOQBFQ-UHFFFAOYSA-N 1 0 222.679 1.299 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCSC[C@@H]1C ZINC000227249307 350490293 /nfs/dbraw/zinc/49/02/93/350490293.db2.gz JZNYETXQUHAODJ-IUCAKERBSA-N 1 0 205.392 1.990 10 30 BDEERO N#CCCCC[N@@H+]1CCn2ccnc2C1 ZINC000061559672 350515766 /nfs/dbraw/zinc/51/57/66/350515766.db2.gz RXIBWMUHAASAQV-UHFFFAOYSA-N 1 0 204.277 1.393 10 30 BDEERO N#Cc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000616597264 350650200 /nfs/dbraw/zinc/65/02/00/350650200.db2.gz IMZKYXLRWWRISG-NSHDSACASA-N 1 0 202.257 1.262 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000334576735 350694767 /nfs/dbraw/zinc/69/47/67/350694767.db2.gz CJUYYWSDQFUVAI-LBPRGKRZSA-N 1 0 249.358 1.671 10 30 BDEERO O[C@@H]1CC[C@@H]2C[N@H+](CCS)C[C@H]2C1 ZINC000306691443 350845664 /nfs/dbraw/zinc/84/56/64/350845664.db2.gz QFXCVAQHVIUXAE-OPRDCNLKSA-N 1 0 201.335 1.009 10 30 BDEERO C=C(Br)CN1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306700460 350848637 /nfs/dbraw/zinc/84/86/37/350848637.db2.gz DTCFVBLYJDXOIY-JVHMLUBASA-N 1 0 231.137 1.174 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000397668310 350959709 /nfs/dbraw/zinc/95/97/09/350959709.db2.gz MIABMHDQBJOZTK-VXGBXAGGSA-N 1 0 222.332 1.963 10 30 BDEERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H](C)CC#N ZINC000129054198 350973502 /nfs/dbraw/zinc/97/35/02/350973502.db2.gz SJSXIUFNQSTVMB-VHSXEESVSA-N 1 0 211.309 1.120 10 30 BDEERO CC[N@@H+]1CCN[C@@H](c2ccccc2C#N)C1 ZINC000616632500 351112957 /nfs/dbraw/zinc/11/29/57/351112957.db2.gz SABOMHRBNGZDMR-CYBMUJFWSA-N 1 0 215.300 1.524 10 30 BDEERO CCN1CC[NH2+]C[C@H]1c1ccccc1C#N ZINC000616636505 351127121 /nfs/dbraw/zinc/12/71/21/351127121.db2.gz CJUWRHBMNKHNHX-ZDUSSCGKSA-N 1 0 215.300 1.524 10 30 BDEERO N#Cc1cccc([C@@H]2CC[N@H+](CCO)CCO2)c1 ZINC000616665459 351222713 /nfs/dbraw/zinc/22/27/13/351222713.db2.gz JXOPEDXEDCWGHI-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO CN/C(=[NH+]/C)N1CCSCC[C@@H]1C ZINC000307042855 351445025 /nfs/dbraw/zinc/44/50/25/351445025.db2.gz MKTWURNBQBRWDQ-QMMMGPOBSA-N 1 0 201.339 1.019 10 30 BDEERO CNC(Nc1cnn(Cc2ccccc2)c1)=[NH+]C ZINC000307015795 351421860 /nfs/dbraw/zinc/42/18/60/351421860.db2.gz OCWJDHOHESRQOS-UHFFFAOYSA-N 1 0 243.314 1.549 10 30 BDEERO CC1(C)C[N@H+](CCS)[C@@H]2COC[C@H]21 ZINC000307017817 351423797 /nfs/dbraw/zinc/42/37/97/351423797.db2.gz WLZMQKXEMUBGAG-RKDXNWHRSA-N 1 0 201.335 1.273 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1cccc(C#N)n1 ZINC000320708332 323578984 /nfs/dbraw/zinc/57/89/84/323578984.db2.gz PHTSAFYLKVKPQZ-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638454826 352264370 /nfs/dbraw/zinc/26/43/70/352264370.db2.gz LJUPUCQDQSRURD-GHMZBOCLSA-N 1 0 224.348 1.832 10 30 BDEERO C=C(Br)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307421200 352590741 /nfs/dbraw/zinc/59/07/41/352590741.db2.gz NSFSDYGKPTWDPO-UWVGGRQHSA-N 1 0 245.164 1.436 10 30 BDEERO C#CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020084675 188005771 /nfs/dbraw/zinc/00/57/71/188005771.db2.gz WVTWBJKBDDMOTR-UHFFFAOYSA-N 1 0 203.241 1.181 10 30 BDEERO CC(C)(C[NH3+])Nc1cccc(F)c1C#N ZINC000063020881 188014577 /nfs/dbraw/zinc/01/45/77/188014577.db2.gz SRYBTJPPAQFDQA-UHFFFAOYSA-N 1 0 207.252 1.847 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCN(C)C1 ZINC000042546879 188042893 /nfs/dbraw/zinc/04/28/93/188042893.db2.gz WIEFQNSLSXLHCF-QMMMGPOBSA-N 1 0 219.126 1.189 10 30 BDEERO C=C(Br)CO[C@@H]1CCC[C@H]1[NH3+] ZINC000131345194 353374052 /nfs/dbraw/zinc/37/40/52/353374052.db2.gz JRHDBVMCSYGHEQ-HTQZYQBOSA-N 1 0 220.110 1.791 10 30 BDEERO Cc1cc(N2CCC(CC[NH3+])CC2)c(C#N)cn1 ZINC000398973677 353401098 /nfs/dbraw/zinc/40/10/98/353401098.db2.gz BPUNJDDNPIWFEY-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282208671 353466332 /nfs/dbraw/zinc/46/63/32/353466332.db2.gz DFNREUVTRNCMDH-HTQZYQBOSA-N 1 0 247.136 1.152 10 30 BDEERO N#Cc1ccnc(N[C@H](CC[NH3+])C(F)F)c1 ZINC000383510384 353696278 /nfs/dbraw/zinc/69/62/78/353696278.db2.gz SFWCWCAVPMOLRT-MRVPVSSYSA-N 1 0 226.230 1.348 10 30 BDEERO Fc1cccc(C#CCN2CC[NH2+]CC2)c1 ZINC000037471002 180995243 /nfs/dbraw/zinc/99/52/43/180995243.db2.gz WWEJPWMAIYCCSY-UHFFFAOYSA-N 1 0 218.275 1.082 10 30 BDEERO C[C@H](Nc1ccncc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000399061816 353763084 /nfs/dbraw/zinc/76/30/84/353763084.db2.gz ZCGQLXLUVNRHPS-WDEREUQCSA-N 1 0 230.315 1.175 10 30 BDEERO Cc1cc(N2CCC[C@H](C[NH3+])C2)c(C#N)cn1 ZINC000399057820 353745685 /nfs/dbraw/zinc/74/56/85/353745685.db2.gz KSPPTPLCOAYZEX-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO N#CC1(Nc2cccc(F)c2)CC[NH2+]CC1 ZINC000040695147 181030907 /nfs/dbraw/zinc/03/09/07/181030907.db2.gz VNQLLJFBEGNCEK-UHFFFAOYSA-N 1 0 219.263 1.883 10 30 BDEERO C#C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186052734 353866261 /nfs/dbraw/zinc/86/62/61/353866261.db2.gz BFSPTFCCIZUFQR-TZMCWYRMSA-N 1 0 244.338 1.297 10 30 BDEERO CC#CCC[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186392409 353868277 /nfs/dbraw/zinc/86/82/77/353868277.db2.gz JYAADYHWKXNIIY-GFCCVEGCSA-N 1 0 209.289 1.427 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000062072692 181059719 /nfs/dbraw/zinc/05/97/19/181059719.db2.gz LLNMQUZNNVNQMX-STQMWFEESA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000054825559 181059811 /nfs/dbraw/zinc/05/98/11/181059811.db2.gz JCSXOAQKYAKYJA-QWHCGFSZSA-N 1 0 215.300 1.906 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000061890476 181060063 /nfs/dbraw/zinc/06/00/63/181060063.db2.gz CXRNFZFADXPRDC-YNEHKIRRSA-N 1 0 243.310 1.495 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000061890437 181060126 /nfs/dbraw/zinc/06/01/26/181060126.db2.gz PPIQEYGBFPYPSX-RYUDHWBXSA-N 1 0 235.331 1.185 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000054823798 181060201 /nfs/dbraw/zinc/06/02/01/181060201.db2.gz XSLQYXZSRYVEAV-AAEUAGOBSA-N 1 0 215.300 1.906 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000054825376 181068414 /nfs/dbraw/zinc/06/84/14/181068414.db2.gz AUPAOICEMUUJJR-ZYHUDNBSSA-N 1 0 208.305 1.837 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CCOCC1 ZINC000061892670 181069868 /nfs/dbraw/zinc/06/98/68/181069868.db2.gz WLVKPYDSLCSZDB-VXGBXAGGSA-N 1 0 208.305 1.695 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000054825545 181070137 /nfs/dbraw/zinc/07/01/37/181070137.db2.gz YLKKMEWAPHCRIO-CHWSQXEVSA-N 1 0 215.300 1.906 10 30 BDEERO N#Cc1cc(OCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000061813111 181092353 /nfs/dbraw/zinc/09/23/53/181092353.db2.gz GBYSEWPMDNWQEW-NSHDSACASA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1cc(OC[C@H]2CCCC[NH2+]2)ccn1 ZINC000061813107 181092448 /nfs/dbraw/zinc/09/24/48/181092448.db2.gz OWRZGYILARZRCR-SNVBAGLBSA-N 1 0 217.272 1.474 10 30 BDEERO N#Cc1ccc(COC[C@@H]2CCC[NH2+]2)cc1 ZINC000051816476 181110989 /nfs/dbraw/zinc/11/09/89/181110989.db2.gz AZQHYJKOIBWSAP-ZDUSSCGKSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccc(N2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000062791374 181116425 /nfs/dbraw/zinc/11/64/25/181116425.db2.gz PGSQCVYYVJSZKA-SNVBAGLBSA-N 1 0 235.718 1.997 10 30 BDEERO N#Cc1ccc(NC2C[NH2+]C2)cc1C(F)(F)F ZINC000091392213 181119147 /nfs/dbraw/zinc/11/91/47/181119147.db2.gz ICJXAMSTXIBGHL-UHFFFAOYSA-N 1 0 241.216 1.961 10 30 BDEERO N#Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000019408498 181119376 /nfs/dbraw/zinc/11/93/76/181119376.db2.gz JAVXSKHEYSQNIX-NSHDSACASA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2O)c1 ZINC000037749343 181138325 /nfs/dbraw/zinc/13/83/25/181138325.db2.gz RBMLMCSERKBPFS-QWHCGFSZSA-N 1 0 216.284 1.561 10 30 BDEERO N#Cc1ccnc(S[C@@H]2CCC[NH2+]C2)c1 ZINC000095072089 181158258 /nfs/dbraw/zinc/15/82/58/181158258.db2.gz VJNHBQLYTSDXTR-SNVBAGLBSA-N 1 0 219.313 1.797 10 30 BDEERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000134242167 355003874 /nfs/dbraw/zinc/00/38/74/355003874.db2.gz GBZSLFHWTLGGQI-GZMMTYOYSA-N 1 0 222.313 1.887 10 30 BDEERO N#Cc1nccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000054378570 181175395 /nfs/dbraw/zinc/17/53/95/181175395.db2.gz UBMIKYBWGNPBAY-RKDXNWHRSA-N 1 0 217.276 1.030 10 30 BDEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190093382 181182319 /nfs/dbraw/zinc/18/23/19/181182319.db2.gz IKORXGKVWGPFGW-IJLUTSLNSA-N 1 0 237.347 1.258 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccncc1C#N ZINC000399374764 356477850 /nfs/dbraw/zinc/47/78/50/356477850.db2.gz AVGPXEYLJYLPDM-CYBMUJFWSA-N 1 0 244.342 1.874 10 30 BDEERO C[NH+](C)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000088259512 356645073 /nfs/dbraw/zinc/64/50/73/356645073.db2.gz FVGLGFSXWPLKPS-NSHDSACASA-N 1 0 207.321 1.316 10 30 BDEERO N#C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000336450702 134147348 /nfs/dbraw/zinc/14/73/48/134147348.db2.gz GURNTVDTPSGKJP-NEPJUHHUSA-N 1 0 247.342 1.423 10 30 BDEERO CCCCCCCCO[C@H](C[NH3+])CO ZINC000675070182 538500190 /nfs/dbraw/zinc/50/01/90/538500190.db2.gz QXXPHBNYTMFSDE-LLVKDONJSA-N 1 0 203.326 1.683 10 30 BDEERO CC1(C)CC2(CC(C)(C)[NH2+]1)OC=CC2=O ZINC000675079895 538518922 /nfs/dbraw/zinc/51/89/22/538518922.db2.gz YQDWQWSKYGHFCD-UHFFFAOYSA-N 1 0 209.289 1.779 10 30 BDEERO C#CCC1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077191 538512071 /nfs/dbraw/zinc/51/20/71/538512071.db2.gz AJDLTWRXVZFCTI-LLVKDONJSA-N 1 0 236.315 1.514 10 30 BDEERO C[C@@H]1C[NH2+]CC[C@]1(C#N)NCc1ccccc1 ZINC000168748908 357211477 /nfs/dbraw/zinc/21/14/77/357211477.db2.gz RNIZGSLXPLIPSJ-TZMCWYRMSA-N 1 0 229.327 1.668 10 30 BDEERO C[C@H]1C[NH2+]CC[C@]1(C#N)NCc1ccccc1 ZINC000168749008 357211722 /nfs/dbraw/zinc/21/17/22/357211722.db2.gz RNIZGSLXPLIPSJ-GXTWGEPZSA-N 1 0 229.327 1.668 10 30 BDEERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])cc1C#N ZINC000050442604 357509069 /nfs/dbraw/zinc/50/90/69/357509069.db2.gz XMFFRXLUWXUZFA-UHFFFAOYSA-N 1 0 249.274 1.273 10 30 BDEERO C=C(C)C[N@@H+](CC)[C@@H]1CCCCNC1=O ZINC000193119328 357861294 /nfs/dbraw/zinc/86/12/94/357861294.db2.gz KIPNWHIZTSNBFP-LLVKDONJSA-N 1 0 210.321 1.553 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000168951383 358000256 /nfs/dbraw/zinc/00/02/56/358000256.db2.gz UYBGGQBXIAJGEV-RKDXNWHRSA-N 1 0 233.153 1.707 10 30 BDEERO N#CCSCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000173888801 134278393 /nfs/dbraw/zinc/27/83/93/134278393.db2.gz LHEJBEWEBDICGZ-LBPRGKRZSA-N 1 0 239.388 1.413 10 30 BDEERO C[C@@H]1CN(CCC(C)(C)C#N)C[C@@H]1[NH+](C)C ZINC000124155593 358513938 /nfs/dbraw/zinc/51/39/38/358513938.db2.gz UUFDFYVIGPPLEC-NEPJUHHUSA-N 1 0 223.364 1.808 10 30 BDEERO N#Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccn1 ZINC000610994834 358423578 /nfs/dbraw/zinc/42/35/78/358423578.db2.gz NWIPEWZHNWSHPI-YPMHNXCESA-N 1 0 213.284 1.938 10 30 BDEERO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000135017215 358816554 /nfs/dbraw/zinc/81/65/54/358816554.db2.gz QRFVDQFPALHICI-WCQYABFASA-N 1 0 224.348 1.751 10 30 BDEERO [NH3+][C@@H](C#Cc1ccccc1)CC1OCCO1 ZINC000306156961 358947676 /nfs/dbraw/zinc/94/76/76/358947676.db2.gz MOLCEVFCXQIJHD-LBPRGKRZSA-N 1 0 217.268 1.128 10 30 BDEERO C=C(C)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246548324 359145697 /nfs/dbraw/zinc/14/56/97/359145697.db2.gz TYPLBJMMKPVTOO-CHWSQXEVSA-N 1 0 224.348 1.215 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247463207 359222668 /nfs/dbraw/zinc/22/26/68/359222668.db2.gz RAMNDJLSLMMNLA-MNOVXSKESA-N 1 0 214.740 1.907 10 30 BDEERO CO[C@H]1CCC[C@H]1[NH+]1CCC(C=O)CC1 ZINC000306522862 360364848 /nfs/dbraw/zinc/36/48/48/360364848.db2.gz QQPMTOJZGAPCKQ-NEPJUHHUSA-N 1 0 211.305 1.465 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000306557208 360430220 /nfs/dbraw/zinc/43/02/20/360430220.db2.gz NOTASFJJNYPKQC-AEJSXWLSSA-N 1 0 203.351 1.662 10 30 BDEERO CN/C(=[NH+]/C)SC[C@H]1Cc2ccccc2O1 ZINC000155275574 360869787 /nfs/dbraw/zinc/86/97/87/360869787.db2.gz XVWMMPPCYDQDKV-SNVBAGLBSA-N 1 0 236.340 1.929 10 30 BDEERO NC(=[NH2+])Nc1nc2cccc(Cl)c2s1 ZINC000084759369 181324600 /nfs/dbraw/zinc/32/46/00/181324600.db2.gz JQFYWOXGSOPNRP-UHFFFAOYSA-N 1 0 226.692 1.855 10 30 BDEERO N#Cc1cncc(OC(F)(F)F)c1C[NH3+] ZINC000238626640 361167406 /nfs/dbraw/zinc/16/74/06/361167406.db2.gz HGBXSOFVDHALGZ-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1ncc(OC(F)(F)F)cc1C[NH3+] ZINC000238675327 361176207 /nfs/dbraw/zinc/17/62/07/361176207.db2.gz RGWPRWNFPJEUNZ-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1nc(C[NH3+])ccc1OC(F)(F)F ZINC000238682376 361177751 /nfs/dbraw/zinc/17/77/51/361177751.db2.gz MQVHBJPCWGZELV-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO C[C@@H]1C[C@H](O)C[N@@H+]1CC1(CS)CC1 ZINC000306624928 361285141 /nfs/dbraw/zinc/28/51/41/361285141.db2.gz GFAUDUIMUXIDAP-BDAKNGLRSA-N 1 0 201.335 1.152 10 30 BDEERO NC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692065 181345634 /nfs/dbraw/zinc/34/56/34/181345634.db2.gz AYECDFUXSFCGBZ-UHFFFAOYSA-N 1 0 223.663 1.141 10 30 BDEERO [NH3+]CC#Cc1cc(CN2CCOC2=O)ccc1F ZINC000049610128 181345934 /nfs/dbraw/zinc/34/59/34/181345934.db2.gz PUKWCXKPOBZCRA-UHFFFAOYSA-N 1 0 248.257 1.088 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2cccn2)cc1 ZINC000049610051 181346734 /nfs/dbraw/zinc/34/67/34/181346734.db2.gz XTHNVZZTLRVISR-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO [NH3+]CC(=O)N1CCC2(C1)CCC(CS)CC2 ZINC000095077467 181347251 /nfs/dbraw/zinc/34/72/51/181347251.db2.gz ZPADZXVEUAWXHS-UHFFFAOYSA-N 1 0 242.388 1.284 10 30 BDEERO [NH3+]CC#Cc1ccccc1CSc1nc[nH]n1 ZINC000049611298 181348314 /nfs/dbraw/zinc/34/83/14/181348314.db2.gz GAGCPEONYAIUPI-UHFFFAOYSA-N 1 0 244.323 1.407 10 30 BDEERO CC[NH+](CC)Cc1nn(C)cc1CC#N ZINC000675053037 541430750 /nfs/dbraw/zinc/43/07/50/541430750.db2.gz DPLGYLFSCSXERU-UHFFFAOYSA-N 1 0 206.293 1.328 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123127829 369397004 /nfs/dbraw/zinc/39/70/04/369397004.db2.gz TWSRPNCCFQNNKD-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO N#Cc1ccncc1NCCC1(C[NH3+])CC1 ZINC000404828031 369437750 /nfs/dbraw/zinc/43/77/50/369437750.db2.gz HHFMMFZRKQEJFE-UHFFFAOYSA-N 1 0 216.288 1.494 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405364193 369457260 /nfs/dbraw/zinc/45/72/60/369457260.db2.gz HPKQCVYFIVQFBB-VXGBXAGGSA-N 1 0 235.331 1.281 10 30 BDEERO C[C@@H]1CC[C@H](Nc2ncccc2C#N)C[NH2+]1 ZINC000600956183 369576052 /nfs/dbraw/zinc/57/60/52/369576052.db2.gz XCXWNFZWXDVGAY-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000600956803 369578220 /nfs/dbraw/zinc/57/82/20/369578220.db2.gz IUIXIHAIEFJVIM-JOYOIKCWSA-N 1 0 242.326 1.604 10 30 BDEERO C[C@H]1CC[C@H](Nc2ncccc2C#N)C[NH2+]1 ZINC000600956187 369578385 /nfs/dbraw/zinc/57/83/85/369578385.db2.gz XCXWNFZWXDVGAY-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C#N)n1 ZINC000600956342 369578463 /nfs/dbraw/zinc/57/84/63/369578463.db2.gz ABQPDCMZEQBWAD-WCBMZHEXSA-N 1 0 202.261 1.116 10 30 BDEERO Cc1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1C#N ZINC000600960832 369581197 /nfs/dbraw/zinc/58/11/97/369581197.db2.gz DREZTRGXULPFST-MNOVXSKESA-N 1 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10 30 BDEERO CC#CC[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228104482 371991508 /nfs/dbraw/zinc/99/15/08/371991508.db2.gz SIANRPBAHDWANW-UTLUCORTSA-N 1 0 215.387 1.964 10 30 BDEERO CC1(C)C[N@H+](CC2(CS)CC2)C[C@H]1O ZINC000306860674 372073189 /nfs/dbraw/zinc/07/31/89/372073189.db2.gz DVQXTWPAQGLDML-SECBINFHSA-N 1 0 215.362 1.399 10 30 BDEERO C#Cc1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000606302656 372092250 /nfs/dbraw/zinc/09/22/50/372092250.db2.gz RNJKPNCDFQRHQU-GFCCVEGCSA-N 1 0 216.284 1.441 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000069629874 373551406 /nfs/dbraw/zinc/55/14/06/373551406.db2.gz JFUYZWBUUQKSDJ-DTORHVGOSA-N 1 0 233.153 1.577 10 30 BDEERO N/[NH+]=C(/NC1CCCC1)[C@H]1CCSC1 ZINC000070005314 374109678 /nfs/dbraw/zinc/10/96/78/374109678.db2.gz MMUIMDZOBIJQHC-QMMMGPOBSA-N 1 0 213.350 1.544 10 30 BDEERO OCC#Cc1cc(C[NH+]2CCCC2)ccc1F ZINC000049615602 183031789 /nfs/dbraw/zinc/03/17/89/183031789.db2.gz NXTBLZXVTGJCFZ-UHFFFAOYSA-N 1 0 233.286 1.765 10 30 BDEERO OCC#Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000037543870 183032118 /nfs/dbraw/zinc/03/21/18/183032118.db2.gz JQXXIGVMYYXAHJ-UHFFFAOYSA-N 1 0 245.322 1.505 10 30 BDEERO CCCC[C@H]([NH3+])C(=O)N(CCC#N)CC(C)C ZINC000037822653 169006426 /nfs/dbraw/zinc/00/64/26/169006426.db2.gz RAJLDXNKDVAMPN-LBPRGKRZSA-N 1 0 239.363 1.902 10 30 BDEERO CCCC[C@H]([NH3+])C(=O)NCc1ccc(C#N)cc1 ZINC000037748610 169006946 /nfs/dbraw/zinc/00/69/46/169006946.db2.gz JYZJYGWYERYBIA-ZDUSSCGKSA-N 1 0 245.326 1.692 10 30 BDEERO Oc1cccc2c1[C@H](CCS)[NH2+]CC2 ZINC000083660588 183296716 /nfs/dbraw/zinc/29/67/16/183296716.db2.gz CVUFOYZLQHIYAD-VIFPVBQESA-N 1 0 209.314 1.899 10 30 BDEERO CCCN[C@@](C)(C#N)CN(C)Cc1nccn1C ZINC000062319643 169283748 /nfs/dbraw/zinc/28/37/48/169283748.db2.gz VYDQXFVOJUMMQB-ZDUSSCGKSA-N 1 0 249.362 1.134 10 30 BDEERO CCCO[C@@H]1CCC[N@H+](C[C@@H](C)/C(N)=N/O)C1 ZINC000042422563 169311513 /nfs/dbraw/zinc/31/15/13/169311513.db2.gz BJSFFKQYLZALBN-GHMZBOCLSA-N 1 0 243.351 1.260 10 30 BDEERO N#Cc1ccc(CN2CCC[N@@H+](C3CC3)CC2)o1 ZINC000179729855 134320140 /nfs/dbraw/zinc/32/01/40/134320140.db2.gz DKFZOLOPYOTOHD-UHFFFAOYSA-N 1 0 245.326 1.821 10 30 BDEERO C=C(C)CN(C)C(=O)[C@H](CCC)[NH+](C)C ZINC000183063628 134350795 /nfs/dbraw/zinc/35/07/95/134350795.db2.gz RHYLVNWPLXYQGM-NSHDSACASA-N 1 0 212.337 1.751 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334825905 383958199 /nfs/dbraw/zinc/95/81/99/383958199.db2.gz HPAREDKIGWWNSQ-ZWNOBZJWSA-N 1 0 248.301 1.900 10 30 BDEERO N#Cc1ccncc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135615141 384201785 /nfs/dbraw/zinc/20/17/85/384201785.db2.gz BGHPECJUNTYUPG-GFCCVEGCSA-N 1 0 228.299 1.238 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335591286 384310938 /nfs/dbraw/zinc/31/09/38/384310938.db2.gz SAVJQXJLJIUSAL-GWCFXTLKSA-N 1 0 248.301 1.900 10 30 BDEERO COCCOCCNc1cc(C)nc(C)c1C#N ZINC000157421357 384448249 /nfs/dbraw/zinc/44/82/49/384448249.db2.gz RRLMNPSLAUSTIQ-UHFFFAOYSA-N 1 0 249.314 1.645 10 30 BDEERO C=CC[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101563789 384794893 /nfs/dbraw/zinc/79/48/93/384794893.db2.gz PEXACBMVBXICFN-NSHDSACASA-N 1 0 210.321 1.553 10 30 BDEERO N#CCCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899225 384886062 /nfs/dbraw/zinc/88/60/62/384886062.db2.gz JYUBWXZEFHEMGS-LBPRGKRZSA-N 1 0 233.319 1.609 10 30 BDEERO NC(=NO)[C@H]1CCCC[N@@H+]1CCCCF ZINC000308785852 385102358 /nfs/dbraw/zinc/10/23/58/385102358.db2.gz FLWOQMLFWXZNPU-SECBINFHSA-N 1 0 217.288 1.337 10 30 BDEERO C#CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802961 533112052 /nfs/dbraw/zinc/11/20/52/533112052.db2.gz FBGROWWSYNQDRQ-GFCCVEGCSA-N 1 0 230.315 1.010 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309004732 385365572 /nfs/dbraw/zinc/36/55/72/385365572.db2.gz PJGCPUVSRDVRIV-GMTAPVOTSA-N 1 0 210.321 1.675 10 30 BDEERO C[NH2+][C@@H]1CCCN(c2cc(C)nc(C#N)c2)C1 ZINC000308239128 385542914 /nfs/dbraw/zinc/54/29/14/385542914.db2.gz JQQMXKWLEBJJBR-LLVKDONJSA-N 1 0 230.315 1.450 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1cccnc1C#N ZINC000131066875 385664053 /nfs/dbraw/zinc/66/40/53/385664053.db2.gz BLYWDFVGXQMXKG-SECBINFHSA-N 1 0 204.277 1.348 10 30 BDEERO C[C@H](C[NH3+])CNc1cccc(F)c1C#N ZINC000309001885 385680892 /nfs/dbraw/zinc/68/08/92/385680892.db2.gz SAXNKAZNPDCKTP-MRVPVSSYSA-N 1 0 207.252 1.704 10 30 BDEERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)C#N ZINC000182526684 385866372 /nfs/dbraw/zinc/86/63/72/385866372.db2.gz AGNCVDOTKASZBS-QWRGUYRKSA-N 1 0 240.351 1.176 10 30 BDEERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)C#N ZINC000182526727 385867185 /nfs/dbraw/zinc/86/71/85/385867185.db2.gz AGNCVDOTKASZBS-MNOVXSKESA-N 1 0 240.351 1.176 10 30 BDEERO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253100352 533154576 /nfs/dbraw/zinc/15/45/76/533154576.db2.gz WIFNNHBCIIPOBH-JHJVBQTASA-N 1 0 207.317 1.635 10 30 BDEERO C=C(C)COCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000164646568 386174681 /nfs/dbraw/zinc/17/46/81/386174681.db2.gz BEUJZDAYWFRAON-XQQFMLRXSA-N 1 0 239.359 1.982 10 30 BDEERO C[C@H]([NH3+])CNc1c(C#N)nnc2ccccc21 ZINC000085920959 386218463 /nfs/dbraw/zinc/21/84/63/386218463.db2.gz ZBISLVLOVVARKM-QMMMGPOBSA-N 1 0 227.271 1.261 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425528353 386318726 /nfs/dbraw/zinc/31/87/26/386318726.db2.gz QJVCXKISLGAAPJ-YVECIDJPSA-N 1 0 222.332 1.771 10 30 BDEERO CC[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000408367929 386393219 /nfs/dbraw/zinc/39/32/19/386393219.db2.gz ZTEPJUHNLGRTCU-GXSJLCMTSA-N 1 0 221.304 1.032 10 30 BDEERO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000398999666 386504690 /nfs/dbraw/zinc/50/46/90/386504690.db2.gz RLBQSRYBYNAMHW-NEPJUHHUSA-N 1 0 244.342 1.484 10 30 BDEERO CCC[C@@H](C(=O)NCCCCC#N)[NH+](C)C ZINC000179213557 386619014 /nfs/dbraw/zinc/61/90/14/386619014.db2.gz RBFYYJSPDQLXNH-NSHDSACASA-N 1 0 225.336 1.527 10 30 BDEERO C=C(Br)CN1C[C@H]2C[NH2+]C[C@]2(C)C1 ZINC000575558725 387697845 /nfs/dbraw/zinc/69/78/45/387697845.db2.gz RQJFLINXKPQQDX-NXEZZACHSA-N 1 0 245.164 1.436 10 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10 30 BDEERO CNC(N[C@H](C)COCc1ccccc1)=[NH+]C ZINC000179054754 134314505 /nfs/dbraw/zinc/31/45/05/134314505.db2.gz PXFBZWFCNJWXQL-LLVKDONJSA-N 1 0 235.331 1.387 10 30 BDEERO C[C@@H](C#N)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181902152 134340773 /nfs/dbraw/zinc/34/07/73/134340773.db2.gz REOOFAJJDUSJHI-LBPRGKRZSA-N 1 0 221.348 1.849 10 30 BDEERO C#CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227370638 134378404 /nfs/dbraw/zinc/37/84/04/134378404.db2.gz YZEKQSIHUYQXEP-QWHCGFSZSA-N 1 0 207.317 1.637 10 30 BDEERO N#CC1(CN2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000408108577 134394415 /nfs/dbraw/zinc/39/44/15/134394415.db2.gz BAHNZXFONUKQLJ-JTQLQIEISA-N 1 0 231.303 1.288 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250675833 135058484 /nfs/dbraw/zinc/05/84/84/135058484.db2.gz WPJYXVFTUSSPBU-CRWXNKLISA-N 1 0 233.359 1.895 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000251018678 135062205 /nfs/dbraw/zinc/06/22/05/135062205.db2.gz DTJRSZAKDHUXQH-BJDJZHNGSA-N 1 0 208.305 1.572 10 30 BDEERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)O1 ZINC000251977127 135082559 /nfs/dbraw/zinc/08/25/59/135082559.db2.gz YLUGNPNYEUFHMP-WRWGMCAJSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@H]1CN(CCC(C)(C)C#N)C[C@H]1[NH+](C)C ZINC000252493673 135090595 /nfs/dbraw/zinc/09/05/95/135090595.db2.gz UUFDFYVIGPPLEC-NWDGAFQWSA-N 1 0 223.364 1.808 10 30 BDEERO C[C@H]1C[N@H+](CCCCC#N)C[C@H]1N(C)C ZINC000252493561 135091161 /nfs/dbraw/zinc/09/11/61/135091161.db2.gz SJYQGXPKTQVMAZ-NWDGAFQWSA-N 1 0 209.337 1.562 10 30 BDEERO Cc1cc(C#N)nc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261551480 135190644 /nfs/dbraw/zinc/19/06/44/135190644.db2.gz VPXGUCZVDDQBTL-CABZTGNLSA-N 1 0 245.330 1.220 10 30 BDEERO CC(C)([NH3+])CNc1c(C#N)cccc1C#N ZINC000261584375 135225188 /nfs/dbraw/zinc/22/51/88/135225188.db2.gz PTDGPTJUUNTAKO-UHFFFAOYSA-N 1 0 214.272 1.579 10 30 BDEERO C[NH+]=C(NC1CC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122221584 135227092 /nfs/dbraw/zinc/22/70/92/135227092.db2.gz TYEONCZDPNNMFW-HZSPNIEDSA-N 1 0 241.338 1.652 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCSC(C)(C)C1 ZINC000261758829 135250456 /nfs/dbraw/zinc/25/04/56/135250456.db2.gz CSWORCDDWBZSPW-VHSXEESVSA-N 1 0 241.404 1.798 10 30 BDEERO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2CC2(C)C)C1 ZINC000262008784 135272397 /nfs/dbraw/zinc/27/23/97/135272397.db2.gz SLGKNJITSVRMPT-VHSXEESVSA-N 1 0 209.337 1.832 10 30 BDEERO CC(C)[C@@H]1OCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262546190 135305472 /nfs/dbraw/zinc/30/54/72/135305472.db2.gz VKTSXPGMBWKMPS-NEPJUHHUSA-N 1 0 241.379 1.527 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262643684 135311344 /nfs/dbraw/zinc/31/13/44/135311344.db2.gz HXTQCUOHDBOZRJ-NSHDSACASA-N 1 0 231.299 1.601 10 30 BDEERO C[C@@H]1C[NH+]=C(NCc2cc(F)cc(F)c2)N1 ZINC000262686875 135314092 /nfs/dbraw/zinc/31/40/92/135314092.db2.gz YREITXSCTAIGGT-SSDOTTSWSA-N 1 0 225.242 1.402 10 30 BDEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[C@@H]1C ZINC000262779135 135318413 /nfs/dbraw/zinc/31/84/13/135318413.db2.gz IRUOGTKBIBXCLZ-GXSJLCMTSA-N 1 0 248.330 1.164 10 30 BDEERO CN1CC[NH+]=C1NCc1c(F)cc(F)cc1F ZINC000263204365 135339565 /nfs/dbraw/zinc/33/95/65/135339565.db2.gz XXMRMYYEKLHEAZ-UHFFFAOYSA-N 1 0 243.232 1.495 10 30 BDEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC23CC3)C1 ZINC000263204397 135339693 /nfs/dbraw/zinc/33/96/93/135339693.db2.gz XYGUOTZSEKUKLS-GHMZBOCLSA-N 1 0 221.348 1.833 10 30 BDEERO N/C(=N/O)[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000079812658 135362496 /nfs/dbraw/zinc/36/24/96/135362496.db2.gz KPLMZPPGUFYFPP-ZDUSSCGKSA-N 1 0 247.342 1.830 10 30 BDEERO N#Cc1cc(F)ccc1N1CCC(C[NH3+])CC1 ZINC000095698785 135585819 /nfs/dbraw/zinc/58/58/19/135585819.db2.gz HXGVQIIQLAGLSG-UHFFFAOYSA-N 1 0 233.290 1.872 10 30 BDEERO CC(C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000037748594 167097461 /nfs/dbraw/zinc/09/74/61/167097461.db2.gz QSFSEIDWJWGDJT-UHFFFAOYSA-N 1 0 231.299 1.172 10 30 BDEERO CC(C)[NH2+]C[C@H](O)COc1cccc(C#N)c1 ZINC000003602464 167115653 /nfs/dbraw/zinc/11/56/53/167115653.db2.gz MZMXHNPUBSQJHD-LBPRGKRZSA-N 1 0 234.299 1.296 10 30 BDEERO CC(C)OCCOc1cccc(C#CC[NH3+])c1 ZINC000049260990 167249734 /nfs/dbraw/zinc/24/97/34/167249734.db2.gz SLOSWVBGEAPZFK-UHFFFAOYSA-N 1 0 233.311 1.801 10 30 BDEERO C#CCNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000037697776 166183403 /nfs/dbraw/zinc/18/34/03/166183403.db2.gz GPDAIYPNEUUSTF-GHMZBOCLSA-N 1 0 246.310 1.223 10 30 BDEERO C#CC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000049801037 166187224 /nfs/dbraw/zinc/18/72/24/166187224.db2.gz HEHRFOLNTSZKLF-UHFFFAOYSA-N 1 0 217.268 1.223 10 30 BDEERO C#CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037872128 166187688 /nfs/dbraw/zinc/18/76/88/166187688.db2.gz ODSNQMFIELDYEI-LLVKDONJSA-N 1 0 211.211 1.221 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1nc(C)c(Cl)c1C ZINC000053536202 166188945 /nfs/dbraw/zinc/18/89/45/166188945.db2.gz QUUQXHLPLMNPMV-QMMMGPOBSA-N 1 0 225.723 1.937 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000019875654 166192972 /nfs/dbraw/zinc/19/29/72/166192972.db2.gz XSBCBYDRFKHODU-SNVBAGLBSA-N 1 0 219.284 1.988 10 30 BDEERO C=CCCOCCNC(=O)[C@](C)([NH3+])CCC ZINC000226696508 166271188 /nfs/dbraw/zinc/27/11/88/166271188.db2.gz HCAXSGAYDZUDHE-GFCCVEGCSA-N 1 0 228.336 1.213 10 30 BDEERO C=CCN(C(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000062115108 166311163 /nfs/dbraw/zinc/31/11/63/166311163.db2.gz HOZLTNISGPVUQO-NSHDSACASA-N 1 0 222.332 1.553 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037978069 166382635 /nfs/dbraw/zinc/38/26/35/166382635.db2.gz USKJFTCOBJQICA-SNVBAGLBSA-N 1 0 222.288 1.102 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])C1CCCCC1 ZINC000076611864 166390808 /nfs/dbraw/zinc/39/08/08/166390808.db2.gz GLJPMLUIOVDGOC-GFCCVEGCSA-N 1 0 224.348 1.834 10 30 BDEERO C=CC[NH2+]CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000095081777 166399575 /nfs/dbraw/zinc/39/95/75/166399575.db2.gz DISSJOQVEKGSGN-ZDUSSCGKSA-N 1 0 246.354 1.900 10 30 BDEERO CC(C)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587114 166723762 /nfs/dbraw/zinc/72/37/62/166723762.db2.gz APWLYYVCWOGPTF-LBPRGKRZSA-N 1 0 244.338 1.830 10 30 BDEERO CC(C)CNC1(C#N)CC[NH+](C(C)C)CC1 ZINC000037939135 167000525 /nfs/dbraw/zinc/00/05/25/167000525.db2.gz WQIRBMXXQYVTFZ-UHFFFAOYSA-N 1 0 223.364 1.999 10 30 BDEERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC000301948042 167034257 /nfs/dbraw/zinc/03/42/57/167034257.db2.gz HTJHJQODSWXIHV-CMPLNLGQSA-N 1 0 245.330 1.489 10 30 BDEERO CC(C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000040414395 167096831 /nfs/dbraw/zinc/09/68/31/167096831.db2.gz ALNFAXKMEBIBSN-UHFFFAOYSA-N 1 0 223.301 1.556 10 30 BDEERO CC(C)[NH2+]CCC(=O)N(C)c1ccccc1C#N ZINC000077399315 167099316 /nfs/dbraw/zinc/09/93/16/167099316.db2.gz NFSKQMKWBCMARX-UHFFFAOYSA-N 1 0 245.326 1.909 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645867 167340997 /nfs/dbraw/zinc/34/09/97/167340997.db2.gz QLTILIWGNRJSHW-VXGBXAGGSA-N 1 0 237.347 1.335 10 30 BDEERO C[C@H]([NH3+])[C@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000132952225 411182031 /nfs/dbraw/zinc/18/20/31/411182031.db2.gz LLGANCQACGPENA-TVQRCGJNSA-N 1 0 249.289 1.250 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000161102732 411282144 /nfs/dbraw/zinc/28/21/44/411282144.db2.gz LXBULGXSOAROQN-GXFFZTMASA-N 1 0 244.342 1.648 10 30 BDEERO CC1CCC(C#N)(N2CC[NH2+]CC2)CC1 ZINC000019283085 168149662 /nfs/dbraw/zinc/14/96/62/168149662.db2.gz MUCZQAZBZGZEME-UHFFFAOYSA-N 1 0 207.321 1.364 10 30 BDEERO CC1CCC([N@H+](C)CC[C@@H](N)C#N)CC1 ZINC000062437648 168158708 /nfs/dbraw/zinc/15/87/08/168158708.db2.gz OQAVAYUUVJDFQO-MOENNCHZSA-N 1 0 209.337 1.738 10 30 BDEERO CC1CCC([NH2+]CC(=O)NCCC#N)CC1 ZINC000020050161 168162415 /nfs/dbraw/zinc/16/24/15/168162415.db2.gz SLEZIIUESTVMSB-UHFFFAOYSA-N 1 0 223.320 1.185 10 30 BDEERO CCC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691972 168242813 /nfs/dbraw/zinc/24/28/13/168242813.db2.gz KCPKAPIWTMVJDD-UHFFFAOYSA-N 1 0 236.702 1.999 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000131297327 411458713 /nfs/dbraw/zinc/45/87/13/411458713.db2.gz NCDKYOOEGLWJAF-PWSUYJOCSA-N 1 0 222.332 1.538 10 30 BDEERO CC[N@@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000037655348 170009998 /nfs/dbraw/zinc/00/99/98/170009998.db2.gz SNXRDCSZBHMGBT-LBPRGKRZSA-N 1 0 230.315 1.707 10 30 BDEERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000044648317 170109701 /nfs/dbraw/zinc/10/97/01/170109701.db2.gz CUDHOJHBCSIJRZ-SNVBAGLBSA-N 1 0 231.299 1.345 10 30 BDEERO CC[C@H](C)N(C)C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629529 171304494 /nfs/dbraw/zinc/30/44/94/171304494.db2.gz ICDXQMJXCODYEB-NSHDSACASA-N 1 0 245.326 1.262 10 30 BDEERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000038065243 171345439 /nfs/dbraw/zinc/34/54/39/171345439.db2.gz AENBDDQLCDQFOC-JOYOIKCWSA-N 1 0 231.299 1.473 10 30 BDEERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)n1cnc(C#N)n1 ZINC000061842015 171488423 /nfs/dbraw/zinc/48/84/23/171488423.db2.gz GZQSBRUOLIFDOA-JOYOIKCWSA-N 1 0 245.286 1.378 10 30 BDEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])COC ZINC000662602824 412236188 /nfs/dbraw/zinc/23/61/88/412236188.db2.gz RZEJLJOSLXGSDI-UTUOFQBUSA-N 1 0 240.347 1.211 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000662630067 412248941 /nfs/dbraw/zinc/24/89/41/412248941.db2.gz IATGOKKHJAAPEL-MNOVXSKESA-N 1 0 210.321 1.409 10 30 BDEERO C=CCC1(NC(=O)[C@H]2CCC[NH2+]C2)CCCC1 ZINC000662887944 412336138 /nfs/dbraw/zinc/33/61/38/412336138.db2.gz BKEUSRCOUWRNBY-LBPRGKRZSA-N 1 0 236.359 1.991 10 30 BDEERO CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000104345862 172339026 /nfs/dbraw/zinc/33/90/26/172339026.db2.gz FVGBSDGURBUXNQ-ZDUSSCGKSA-N 1 0 243.310 1.382 10 30 BDEERO C[N@H+](CCOc1ccccc1)CC/C(N)=N/O ZINC000043458206 172771195 /nfs/dbraw/zinc/77/11/95/172771195.db2.gz RBYMUFNSVYGZAR-UHFFFAOYSA-N 1 0 237.303 1.134 10 30 BDEERO CN(Cc1ccc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000104358747 172846690 /nfs/dbraw/zinc/84/66/90/172846690.db2.gz IBXGPCMXLWQLCB-ZDUSSCGKSA-N 1 0 247.317 1.881 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C#N)cn1 ZINC000071190187 173142639 /nfs/dbraw/zinc/14/26/39/173142639.db2.gz UPQXEWWAEKFBNP-LBPRGKRZSA-N 1 0 230.315 1.341 10 30 BDEERO C[N@@H+]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC000037647457 173146309 /nfs/dbraw/zinc/14/63/09/173146309.db2.gz WLIJKLWSIVINRT-GFCCVEGCSA-N 1 0 229.327 1.600 10 30 BDEERO C[NH2+]C(C)(C)C(=O)N(CCC#N)c1ccccc1 ZINC000061300302 173317557 /nfs/dbraw/zinc/31/75/57/173317557.db2.gz GRJSLKCDXUVNEX-UHFFFAOYSA-N 1 0 245.326 1.931 10 30 BDEERO C[NH2+]CCCC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000037808428 173343208 /nfs/dbraw/zinc/34/32/08/173343208.db2.gz ATEXJVPNTAUYLQ-UHFFFAOYSA-N 1 0 245.326 1.516 10 30 BDEERO C[NH2+]CCCCC(=O)N(C)c1ccccc1C#N ZINC000077399318 173345163 /nfs/dbraw/zinc/34/51/63/173345163.db2.gz VOOIQDCJDIEUDA-UHFFFAOYSA-N 1 0 245.326 1.911 10 30 BDEERO C[NH2+]C[C@H](C)Oc1ccc([N+](=O)[O-])cc1C#N ZINC000051867013 173376001 /nfs/dbraw/zinc/37/60/01/173376001.db2.gz XPJWFWPWIOFWSJ-QMMMGPOBSA-N 1 0 235.243 1.453 10 30 BDEERO COCC[N@H+](C)Cc1ccccc1C#CCO ZINC000049614798 174281695 /nfs/dbraw/zinc/28/16/95/174281695.db2.gz JZWAGBZXYZGBEF-UHFFFAOYSA-N 1 0 233.311 1.109 10 30 BDEERO COCC[N@H+](CCCC/C(N)=N/O)CC(C)C ZINC000042369399 174290457 /nfs/dbraw/zinc/29/04/57/174290457.db2.gz GYCNRQPSOHHXDI-UHFFFAOYSA-N 1 0 245.367 1.508 10 30 BDEERO COCCOCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049610714 174364548 /nfs/dbraw/zinc/36/45/48/174364548.db2.gz ZSEBYOFRQWSMCN-UHFFFAOYSA-N 1 0 249.310 1.168 10 30 BDEERO COCCOCc1ccc(F)cc1C#CC[NH3+] ZINC000049610718 174364646 /nfs/dbraw/zinc/36/46/46/174364646.db2.gz PBFHZAFRNWAQKX-UHFFFAOYSA-N 1 0 237.274 1.299 10 30 BDEERO COc1ccc(C#N)c(OCC[NH+](C)C)c1 ZINC000011798965 175050908 /nfs/dbraw/zinc/05/09/08/175050908.db2.gz ZMDZXWKDQIECCO-UHFFFAOYSA-N 1 0 220.272 1.507 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1COCC1CC1 ZINC000049610847 175050999 /nfs/dbraw/zinc/05/09/99/175050999.db2.gz XKVWEOVMQIOXNB-UHFFFAOYSA-N 1 0 245.322 1.932 10 30 BDEERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCC#N)c1 ZINC000043026040 175290067 /nfs/dbraw/zinc/29/00/67/175290067.db2.gz WDHZEQBBPJGIGO-SMDDNHRTSA-N 1 0 247.342 1.929 10 30 BDEERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CCC#N)c1 ZINC000043026042 175290109 /nfs/dbraw/zinc/29/01/09/175290109.db2.gz WDHZEQBBPJGIGO-BXUZGUMPSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H]([NH3+])c1ccc(-n2cnc(C#N)n2)c(Cl)c1 ZINC000061842297 175816891 /nfs/dbraw/zinc/81/68/91/175816891.db2.gz DBYOGTVYSBWGLR-SSDOTTSWSA-N 1 0 247.689 1.812 10 30 BDEERO C[C@@H](S)[C@@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083663902 176007144 /nfs/dbraw/zinc/00/71/44/176007144.db2.gz SFSPDSYQCYNMPH-HQJQHLMTSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124129749 176304978 /nfs/dbraw/zinc/30/49/78/176304978.db2.gz NPBCGKOUIMRBDY-DOMZBBRYSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCC#N ZINC000338998404 176323178 /nfs/dbraw/zinc/32/31/78/176323178.db2.gz SNBODUHZAPRYPU-OLZOCXBDSA-N 1 0 237.347 1.085 10 30 BDEERO C[C@H](C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000043522049 176554445 /nfs/dbraw/zinc/55/44/45/176554445.db2.gz HPEOBWUTJYZQTG-GFCCVEGCSA-N 1 0 221.348 1.849 10 30 BDEERO C[C@H](S)[C@@H]1[NH2+]CCc2c(O)cccc21 ZINC000083703578 177025021 /nfs/dbraw/zinc/02/50/21/177025021.db2.gz ZOIURIRUHOYREX-CPCISQLKSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H](S)[C@H]1[NH2+]CCc2c(O)cccc21 ZINC000083703576 177026212 /nfs/dbraw/zinc/02/62/12/177026212.db2.gz ZOIURIRUHOYREX-WRWORJQWSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1[C@H]([NH2+]CC(=O)NCCC#N)CCC[C@@H]1C ZINC000020055265 177123098 /nfs/dbraw/zinc/12/30/98/177123098.db2.gz XLSYLARRMRMRLJ-QJPTWQEYSA-N 1 0 237.347 1.431 10 30 BDEERO C[C@H]1CCC[C@@](C#N)(NCC[NH+](C)C)C1 ZINC000037940693 177127476 /nfs/dbraw/zinc/12/74/76/177127476.db2.gz PJNXOUVSMWZYSL-NWDGAFQWSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123626176 177349676 /nfs/dbraw/zinc/34/96/76/177349676.db2.gz ATPWIELURRZVOL-CABZTGNLSA-N 1 0 226.283 1.704 10 30 BDEERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C#N)cc1 ZINC000310313288 177434718 /nfs/dbraw/zinc/43/47/18/177434718.db2.gz UMQNAEBURSPMLF-JOYOIKCWSA-N 1 0 229.283 1.120 10 30 BDEERO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000308241145 229224701 /nfs/dbraw/zinc/22/47/01/229224701.db2.gz ODSKDONSLLTDKZ-GHMZBOCLSA-N 1 0 230.315 1.944 10 30 BDEERO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)cc(C#N)n1 ZINC000308241442 229422607 /nfs/dbraw/zinc/42/26/07/229422607.db2.gz PNWDDCPLVFUNIG-RNCFNFMXSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)cc(C#N)n1 ZINC000308245146 229422664 /nfs/dbraw/zinc/42/26/64/229422664.db2.gz QRYNPJWZMIJMHG-WDEREUQCSA-N 1 0 230.315 1.448 10 30 BDEERO CC[N@@H+]1CC[C@@H](Nc2cc(C)ncc2C#N)C1 ZINC000399475723 262784518 /nfs/dbraw/zinc/78/45/18/262784518.db2.gz XFMARACUFAVMNF-GFCCVEGCSA-N 1 0 230.315 1.190 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1nc(Cl)c(C#N)s1 ZINC000307593531 643517091 /nfs/dbraw/zinc/51/70/91/643517091.db2.gz HLBIUFJSTFZVAY-YFKPBYRVSA-N 1 0 230.724 1.452 10 30 BDEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C#N)C1 ZINC000159105930 323023129 /nfs/dbraw/zinc/02/31/29/323023129.db2.gz RMOBXKFTUORGFT-MNOVXSKESA-N 1 0 237.347 1.381 10 30 BDEERO C[C@@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000082576391 325543032 /nfs/dbraw/zinc/54/30/32/325543032.db2.gz TYORVAVSGGTRCU-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C=CC[NH+]1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000120903028 518868685 /nfs/dbraw/zinc/86/86/85/518868685.db2.gz DSPKDRHTSAVGFI-UHFFFAOYSA-N 1 0 242.326 1.871 10 30 BDEERO C=CCCC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000176986074 534603866 /nfs/dbraw/zinc/60/38/66/534603866.db2.gz AHMQISFXUWZVCL-LBPRGKRZSA-N 1 0 224.348 1.895 10 30 BDEERO C=CCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175455656 534650024 /nfs/dbraw/zinc/65/00/24/534650024.db2.gz KWXYTMAACQWBJV-GFCCVEGCSA-N 1 0 222.332 1.649 10 30 BDEERO C=CCCOCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224760139 534778022 /nfs/dbraw/zinc/77/80/22/534778022.db2.gz AWPITEYIXLVVSF-XQQFMLRXSA-N 1 0 239.359 1.982 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000491566479 527021533 /nfs/dbraw/zinc/02/15/33/527021533.db2.gz GSFGNKQRUPWAAS-LLVKDONJSA-N 1 0 234.343 1.437 10 30 BDEERO CC[NH+]=C(NCCn1cccc1)N[C@@H]1CC1(C)C ZINC000261811579 535262148 /nfs/dbraw/zinc/26/21/48/535262148.db2.gz SPJZSBFLPQAKIM-GFCCVEGCSA-N 1 0 248.374 1.842 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[C@H]1C ZINC000262505439 535263336 /nfs/dbraw/zinc/26/33/36/535263336.db2.gz LHQUIECTTQGYAJ-OUAUKWLOSA-N 1 0 223.364 1.996 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000227488116 536183785 /nfs/dbraw/zinc/18/37/85/536183785.db2.gz SNCDVQCSCRGFSZ-NTZNESFSSA-N 1 0 237.347 1.335 10 30 BDEERO CNC(=O)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185866764 536383569 /nfs/dbraw/zinc/38/35/69/536383569.db2.gz TWOAIUHCMYMJQH-QJPTWQEYSA-N 1 0 237.347 1.429 10 30 BDEERO C=CC[C@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257796 538067591 /nfs/dbraw/zinc/06/75/91/538067591.db2.gz WYNOVADJFIISPS-VIFPVBQESA-N 1 0 246.318 1.274 10 30 BDEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2nn(C)cc2CC#N)C1 ZINC000675052933 566412238 /nfs/dbraw/zinc/41/22/38/566412238.db2.gz CJLIBXRCNJLKMW-VXGBXAGGSA-N 1 0 246.358 1.964 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1cc(C#N)ccn1 ZINC000063169528 634440669 /nfs/dbraw/zinc/44/06/69/634440669.db2.gz LBUWYBIFIOMCEN-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000336668244 635198783 /nfs/dbraw/zinc/19/87/83/635198783.db2.gz WQBJNMBFNOQWGU-HTQZYQBOSA-N 1 0 210.302 1.479 10 30 BDEERO C[C@H]1[C@@H]([NH3+])CCN1c1nc(Cl)c(C#N)s1 ZINC000309035848 631807396 /nfs/dbraw/zinc/80/73/96/631807396.db2.gz FWOJRDONZFIQRO-WDSKDSINSA-N 1 0 242.735 1.594 10 30 BDEERO C[NH2+][C@@H](C)CNc1nc(Cl)c(C#N)s1 ZINC000307700942 632638776 /nfs/dbraw/zinc/63/87/76/632638776.db2.gz QZXOYKUVZURCGP-YFKPBYRVSA-N 1 0 230.724 1.688 10 30 BDEERO CON=Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000255829836 632741755 /nfs/dbraw/zinc/74/17/55/632741755.db2.gz CFGBHHBTOMAMDL-SNVBAGLBSA-N 1 0 249.314 1.134 10 30 BDEERO N#Cc1sc(NC[C@@H]([NH3+])C2CC2)nc1Cl ZINC000236313182 632916778 /nfs/dbraw/zinc/91/67/78/632916778.db2.gz GRNMOXMOCNOSKJ-ZCFIWIBFSA-N 1 0 242.735 1.817 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1nc2ccccc2cc1C#N ZINC000311158440 633075931 /nfs/dbraw/zinc/07/59/31/633075931.db2.gz PALDURDKLYGXPJ-SNVBAGLBSA-N 1 0 240.310 1.890 10 30 BDEERO CC/[NH+]=C(/N(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000429097103 636059573 /nfs/dbraw/zinc/05/95/73/636059573.db2.gz JTQWXKLDJZZHCK-IVPXEPLCSA-N 1 0 249.362 1.147 10 30 BDEERO CC(C)(C#N)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000164773533 640505228 /nfs/dbraw/zinc/50/52/28/640505228.db2.gz ZONXZLMQGNHLLN-MXWKQRLJSA-N 1 0 222.332 1.939 10 30 BDEERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061890672 641005278 /nfs/dbraw/zinc/00/52/78/641005278.db2.gz CSKPPRSYNROCEJ-WDEREUQCSA-N 1 0 237.347 1.573 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCS1)N[C@@H]1C[C@H]1C ZINC000159231931 641673380 /nfs/dbraw/zinc/67/33/80/641673380.db2.gz VFAUMIYEVYATPG-FOGDFJRCSA-N 1 0 241.404 1.846 10 30 BDEERO C#CCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000307989107 642330230 /nfs/dbraw/zinc/33/02/30/642330230.db2.gz VZVHCHNXDQYMOX-UHFFFAOYSA-N 1 0 205.305 1.633 10 30 BDEERO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1CCCO ZINC000304258219 644881451 /nfs/dbraw/zinc/88/14/51/644881451.db2.gz SMWHTOPLTATNNC-NEPJUHHUSA-N 1 0 226.320 1.152 10 30 BDEERO C[C@H]([NH2+]CC(=O)NCCC#N)c1cccs1 ZINC000035141874 645978386 /nfs/dbraw/zinc/97/83/86/645978386.db2.gz KQCSGGGXMCZEPW-VIFPVBQESA-N 1 0 237.328 1.429 10 30 BDEERO Cc1cc(C)c(C#N)c(NCC2CC([NH3+])C2)n1 ZINC000715094730 712508542 /nfs/dbraw/zinc/50/85/42/712508542.db2.gz YVRUPVSAHHIIDY-UHFFFAOYSA-N 1 0 230.315 1.719 10 30 BDEERO N#Cc1ccc(NCCN2CCC([NH3+])CC2)cc1 ZINC000721857585 710687950 /nfs/dbraw/zinc/68/79/50/710687950.db2.gz YURAFRQUEPPAKR-UHFFFAOYSA-N 1 0 244.342 1.393 10 30 BDEERO Cc1nnc(N[C@H]2C[NH2+]CC2(C)C)c(C#N)c1C ZINC000721859831 711791800 /nfs/dbraw/zinc/79/18/00/711791800.db2.gz XFLZMVRPOCDHFH-NSHDSACASA-N 1 0 245.330 1.375 10 30 BDEERO C#CCC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185457140 711906350 /nfs/dbraw/zinc/90/63/50/711906350.db2.gz IEXMSYJTBPDAIA-NSHDSACASA-N 1 0 222.332 1.198 10 30 BDEERO CCCCCCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000702839205 712061509 /nfs/dbraw/zinc/06/15/09/712061509.db2.gz NJXJBEOHUHCWMB-NEPJUHHUSA-N 1 0 242.363 1.043 10 30 BDEERO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706971035 712160781 /nfs/dbraw/zinc/16/07/81/712160781.db2.gz IYXLBVHSMDCIHT-VWYCJHECSA-N 1 0 226.320 1.054 10 30 BDEERO C=C(Cl)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708940023 712203755 /nfs/dbraw/zinc/20/37/55/712203755.db2.gz PYYWQTAJZHCCFT-ZJUUUORDSA-N 1 0 218.728 1.177 10 30 BDEERO C#CC[N@H+](Cc1ccccc1)[C@@H](C)CO ZINC000709913918 712233089 /nfs/dbraw/zinc/23/30/89/712233089.db2.gz FXEVGDQFHRNURZ-LBPRGKRZSA-N 1 0 203.285 1.503 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000700744598 712356041 /nfs/dbraw/zinc/35/60/41/712356041.db2.gz AJFIGDDCWXSOON-NTSWFWBYSA-N 1 0 242.735 1.830 10 30 BDEERO CN(c1ccc(C#N)nn1)C1(C[NH3+])CCCCC1 ZINC000713319097 712458759 /nfs/dbraw/zinc/45/87/59/712458759.db2.gz PUYLQDDOFJSQHS-UHFFFAOYSA-N 1 0 245.330 1.446 10 30 BDEERO CCC1([NH3+])CCN(c2ccncc2C#N)CC1 ZINC000714751396 712497086 /nfs/dbraw/zinc/49/70/86/712497086.db2.gz AVEPXFNFWZIZGL-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(C#N)cc1 ZINC000716714587 712570704 /nfs/dbraw/zinc/57/07/04/712570704.db2.gz CCKDTECSDLPCII-ALXWSUNGSA-N 1 0 243.310 1.473 10 30 BDEERO C=CCC1(O)CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000717429322 712657586 /nfs/dbraw/zinc/65/75/86/712657586.db2.gz NSDSCKFFKMFYEN-ZDUSSCGKSA-N 1 0 238.375 1.484 10 30 BDEERO C=CCC1(O)CC[NH+](CC(C)(C)O)CC1 ZINC000717494251 712659997 /nfs/dbraw/zinc/65/99/97/712659997.db2.gz JLZGSCQZSOOXGA-UHFFFAOYSA-N 1 0 213.321 1.160 10 30 BDEERO C#CC[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000717785366 712676303 /nfs/dbraw/zinc/67/63/03/712676303.db2.gz CZGBPCNQBQHZQB-WXRRBKDZSA-N 1 0 209.333 1.787 10 30 BDEERO CC#CC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000717804721 712680494 /nfs/dbraw/zinc/68/04/94/712680494.db2.gz NBVYNJQIVNOKKW-CQSZACIVSA-N 1 0 217.312 1.593 10 30 BDEERO CC1(C)CN(c2ccc(C#N)nc2)C[C@H]1[NH3+] ZINC000720747072 712863378 /nfs/dbraw/zinc/86/33/78/712863378.db2.gz JUBBXNFWVSZMGG-LLVKDONJSA-N 1 0 216.288 1.127 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@H]([NH3+])C(C)(C)C2)n1 ZINC000720824625 712867904 /nfs/dbraw/zinc/86/79/04/712867904.db2.gz GGXFMLJBLOHOCN-LBPRGKRZSA-N 1 0 244.342 1.744 10 30 BDEERO CC[NH2+]C[C@@H](C)C#CC(=O)OC(C)(C)C ZINC000685953769 538898909 /nfs/dbraw/zinc/89/89/09/538898909.db2.gz PVMRQLWBZFEEBG-JTQLQIEISA-N 1 0 211.305 1.577 10 30 BDEERO C=CCCNCC(F)(F)C(=O)OCC ZINC000685957624 538904745 /nfs/dbraw/zinc/90/47/45/538904745.db2.gz VLWITZBTVKSJQK-UHFFFAOYSA-N 1 0 207.220 1.351 10 30 BDEERO CC#CCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961657 538908631 /nfs/dbraw/zinc/90/86/31/538908631.db2.gz MZOKTEZJKOVRSS-SWLSCSKDSA-N 1 0 245.322 1.902 10 30 BDEERO C#CCC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961376 538908673 /nfs/dbraw/zinc/90/86/73/538908673.db2.gz HIRWYELEDXHVRC-CYBMUJFWSA-N 1 0 230.311 1.038 10 30 BDEERO C#CCCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962035 538909063 /nfs/dbraw/zinc/90/90/63/538909063.db2.gz SEJFLBTZCJGOFQ-DOMZBBRYSA-N 1 0 245.322 1.902 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]([NH3+])CC(F)F ZINC000685952798 538896695 /nfs/dbraw/zinc/89/66/95/538896695.db2.gz DCJKOPHWYMLXAZ-SSDOTTSWSA-N 1 0 219.231 1.314 10 30 BDEERO N#Cc1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382478168 398173580 /nfs/dbraw/zinc/17/35/80/398173580.db2.gz UTTAKWOGSALCFT-NXEZZACHSA-N 1 0 216.288 1.493 10 30 BDEERO C[NH+](C)C[C@H](O)CC1(C#N)CCCCC1 ZINC000379949442 398196490 /nfs/dbraw/zinc/19/64/90/398196490.db2.gz DRFNEXQVJJCXFP-LLVKDONJSA-N 1 0 210.321 1.773 10 30 BDEERO CN(c1c(F)cc(C#N)cc1F)C1CC([NH3+])C1 ZINC000335661968 398221660 /nfs/dbraw/zinc/22/16/60/398221660.db2.gz YXJCTXUYGHHXFU-UHFFFAOYSA-N 1 0 237.253 1.762 10 30 BDEERO Cc1cc([C@@H](C#N)N2CC[NH2+]CC2)cc(C)c1O ZINC000020424352 178219083 /nfs/dbraw/zinc/21/90/83/178219083.db2.gz NZGSMUMCNRELIO-CYBMUJFWSA-N 1 0 245.326 1.479 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[NH2+]C2)c1 ZINC000052093977 178365215 /nfs/dbraw/zinc/36/52/15/178365215.db2.gz HPQKCEDSQWMHHR-NSHDSACASA-N 1 0 201.273 1.641 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)CC[NH3+])n1 ZINC000336684203 178366064 /nfs/dbraw/zinc/36/60/64/178366064.db2.gz KDNFTFHLOJYJAD-VIFPVBQESA-N 1 0 204.277 1.411 10 30 BDEERO Cc1ccc(/C(N)=N/O)c(OCC[NH+](C)C)c1 ZINC000051581293 178352306 /nfs/dbraw/zinc/35/23/06/178352306.db2.gz FZBOHEMVHNITQA-UHFFFAOYSA-N 1 0 237.303 1.030 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000320836424 342741942 /nfs/dbraw/zinc/74/19/42/342741942.db2.gz KQZWPPHGNYOJSU-ZJUUUORDSA-N 1 0 244.342 1.980 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncccc1C#N ZINC000320735130 342736340 /nfs/dbraw/zinc/73/63/40/342736340.db2.gz UCSPTDVWFULAIH-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO O=C1C=CO[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000725262431 539026995 /nfs/dbraw/zinc/02/69/95/539026995.db2.gz SAXAPNAXCLUOOD-CQSZACIVSA-N 1 0 229.279 1.744 10 30 BDEERO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000229981443 342861177 /nfs/dbraw/zinc/86/11/77/342861177.db2.gz LDMNTXGNEBCSDA-IJLUTSLNSA-N 1 0 210.321 1.675 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000111304694 398302765 /nfs/dbraw/zinc/30/27/65/398302765.db2.gz RCPKSDXVMNKMCK-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335622113 398341919 /nfs/dbraw/zinc/34/19/19/398341919.db2.gz ZSBWNSYPCVAYJA-NWDGAFQWSA-N 1 0 206.289 1.615 10 30 BDEERO CC[NH2+]CCCNc1cccnc1C#N ZINC000131032212 343182541 /nfs/dbraw/zinc/18/25/41/343182541.db2.gz BMVMAAKBJOWXID-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO C/C(=N/OC[C@@H](O)C[NH2+]C(C)(C)C)C1CC1 ZINC000005179116 187247478 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/nfs/dbraw/zinc/36/39/31/187363931.db2.gz SWYRXMRIDBKUGK-SNVBAGLBSA-N 1 0 245.282 1.926 10 30 BDEERO C#CCCCN(CC[NH3+])Cc1ccccc1 ZINC000236257065 346216788 /nfs/dbraw/zinc/21/67/88/346216788.db2.gz YOXNROGFJOBSGX-UHFFFAOYSA-N 1 0 216.328 1.861 10 30 BDEERO C#CCN1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602115 187318440 /nfs/dbraw/zinc/31/84/40/187318440.db2.gz IKRGQCGOIITJDJ-YHWZYXNKSA-N 1 0 206.333 1.615 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000381846224 346574784 /nfs/dbraw/zinc/57/47/84/346574784.db2.gz YXDWTUYWXNFYOF-IUCAKERBSA-N 1 0 241.298 1.649 10 30 BDEERO Cc1ccc(Br)c(NC(N)=[NH+]N)c1 ZINC000164601319 346611515 /nfs/dbraw/zinc/61/15/15/346611515.db2.gz ZRJXBAFLDSZOQN-UHFFFAOYSA-N 1 0 243.108 1.358 10 30 BDEERO N#Cc1cncc(N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000401500578 346751853 /nfs/dbraw/zinc/75/18/53/346751853.db2.gz GVCMIVHYDFUVSZ-KOLCDFICSA-N 1 0 231.303 1.278 10 30 BDEERO Cc1cccc([C@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000037940377 179192112 /nfs/dbraw/zinc/19/21/12/179192112.db2.gz AAUXFDAUAUGRDU-AWEZNQCLSA-N 1 0 229.327 1.855 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250535069 362808617 /nfs/dbraw/zinc/80/86/17/362808617.db2.gz XCIFRXFZCHFWEU-VXGBXAGGSA-N 1 0 205.301 1.843 10 30 BDEERO C=C(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568895 347473721 /nfs/dbraw/zinc/47/37/21/347473721.db2.gz FOCBLJVSBVNQHD-VXGBXAGGSA-N 1 0 224.348 1.703 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CCC(C)([NH3+])CC2)n1 ZINC000591434702 347659723 /nfs/dbraw/zinc/65/97/23/347659723.db2.gz KOJKDCKDAMHCGR-UHFFFAOYSA-N 1 0 244.342 1.888 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616569743 347819445 /nfs/dbraw/zinc/81/94/45/347819445.db2.gz CRQMSJPROSJWGM-YUMQZZPRSA-N 1 0 236.237 1.219 10 30 BDEERO N#Cc1ncccc1NCCC1CC[NH2+]CC1 ZINC000593233494 347873186 /nfs/dbraw/zinc/87/31/86/347873186.db2.gz SSZWCMXSKXBJTG-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000323418223 348019547 /nfs/dbraw/zinc/01/95/47/348019547.db2.gz NUXCQOBGYKNJAH-NNYUYHANSA-N 1 0 208.305 1.572 10 30 BDEERO Cc1ccccc1[C@H](C#N)N1CC[NH2+]CC1 ZINC000019400987 179332658 /nfs/dbraw/zinc/33/26/58/179332658.db2.gz WVHZLLVPSYUDFE-ZDUSSCGKSA-N 1 0 215.300 1.465 10 30 BDEERO Cc1ccccc1[C@H](C[NH3+])n1cnc(C#N)n1 ZINC000061842030 179342827 /nfs/dbraw/zinc/34/28/27/179342827.db2.gz GIFLQCDNYCRPNM-NSHDSACASA-N 1 0 227.271 1.006 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445384 348055762 /nfs/dbraw/zinc/05/57/62/348055762.db2.gz DZPRMIBNRZZCCG-GRYCIOLGSA-N 1 0 237.347 1.702 10 30 BDEERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(CC#N)CC#N ZINC000043034079 179346811 /nfs/dbraw/zinc/34/68/11/179346811.db2.gz VKDGTECCGMLWDA-OCCSQVGLSA-N 1 0 242.326 1.732 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)nc1 ZINC000594692913 348100478 /nfs/dbraw/zinc/10/04/78/348100478.db2.gz FRRRLMBUGMJRDL-UHFFFAOYSA-N 1 0 204.277 1.127 10 30 BDEERO Cc1cc(C#N)cc(NCC2([NH3+])CCCC2)n1 ZINC000594694834 348100710 /nfs/dbraw/zinc/10/07/10/348100710.db2.gz VBHRDMYSLVWCHV-UHFFFAOYSA-N 1 0 230.315 1.367 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000595480837 348252176 /nfs/dbraw/zinc/25/21/76/348252176.db2.gz BBJBRPIZZPDZMN-MNOVXSKESA-N 1 0 240.372 1.526 10 30 BDEERO C=C(Br)CN1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000251699214 362899903 /nfs/dbraw/zinc/89/99/03/362899903.db2.gz NWNAUCJCYHRDIE-VXNVDRBHSA-N 1 0 233.153 1.564 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596031711 348426652 /nfs/dbraw/zinc/42/66/52/348426652.db2.gz DPJGCYZDGWAFCR-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596033718 348428119 /nfs/dbraw/zinc/42/81/19/348428119.db2.gz VNKGTHAEGSISKB-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO Cc1ccsc1[C@@H](C#N)N1CC[NH2+]CC1 ZINC000041637775 179551867 /nfs/dbraw/zinc/55/18/67/179551867.db2.gz GPSQXDHCQZHVQN-SNVBAGLBSA-N 1 0 221.329 1.526 10 30 BDEERO Cc1cnn(Cc2ccc(F)c(C#CC[NH3+])c2)c1 ZINC000049610208 179744814 /nfs/dbraw/zinc/74/48/14/179744814.db2.gz ZFGHUYZHPDMUPQ-UHFFFAOYSA-N 1 0 243.285 1.689 10 30 BDEERO Cc1ccc(NC(=O)CC#N)c(C)c1C[NH3+] ZINC000616574026 349075998 /nfs/dbraw/zinc/07/59/98/349075998.db2.gz WBKKJHKQWHXYFF-UHFFFAOYSA-N 1 0 217.272 1.614 10 30 BDEERO C=CC[C@@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257795 538067172 /nfs/dbraw/zinc/06/71/72/538067172.db2.gz WYNOVADJFIISPS-SECBINFHSA-N 1 0 246.318 1.274 10 30 BDEERO N#Cc1nccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000386343395 362969830 /nfs/dbraw/zinc/96/98/30/362969830.db2.gz LYAYKVOUJPZCRX-LLVKDONJSA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1ccc([C@@H]2CCC[N@H+]2CCO)cc1 ZINC000616607026 350799368 /nfs/dbraw/zinc/79/93/68/350799368.db2.gz CAVDUSDKYXZHJM-ZDUSSCGKSA-N 1 0 216.284 1.687 10 30 BDEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000382457027 350831263 /nfs/dbraw/zinc/83/12/63/350831263.db2.gz KJKONCJIAWAFNV-NXEZZACHSA-N 1 0 216.288 1.493 10 30 BDEERO C=C[C@@H](c1cccs1)N1CC[NH2+]CC1 ZINC000306850361 351160074 /nfs/dbraw/zinc/16/00/74/351160074.db2.gz OTOZUFNGTDWFMX-JTQLQIEISA-N 1 0 208.330 1.880 10 30 BDEERO CCCCCCCC[N+](C)(CCO)CCO ZINC000111403031 168654960 /nfs/dbraw/zinc/65/49/60/168654960.db2.gz MVDBOLCHRMMMHM-UHFFFAOYSA-N 1 0 232.388 1.778 10 30 BDEERO C[C@H](C[NH3+])N(C)c1cc(C#N)c2ccccc2n1 ZINC000382998383 351162775 /nfs/dbraw/zinc/16/27/75/351162775.db2.gz NKJWINXQARXSMG-SNVBAGLBSA-N 1 0 240.310 1.890 10 30 BDEERO N#Cc1ccccc1[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665587 351223164 /nfs/dbraw/zinc/22/31/64/351223164.db2.gz NCFUKCDFDJSWRZ-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO N[NH+]=C(N)Nc1cc(F)ccc1Cl ZINC000231838081 351399280 /nfs/dbraw/zinc/39/92/80/351399280.db2.gz JIDPUSKIUUNWTK-UHFFFAOYSA-N 1 0 202.620 1.079 10 30 BDEERO C#CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000307086234 351470948 /nfs/dbraw/zinc/47/09/48/351470948.db2.gz YLYCJMBVMFNOPP-UKRRQHHQSA-N 1 0 228.339 1.872 10 30 BDEERO Cc1cc(C#N)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000231943012 351479427 /nfs/dbraw/zinc/47/94/27/351479427.db2.gz PQHAMFRGZXIYIC-SNVBAGLBSA-N 1 0 219.292 1.052 10 30 BDEERO CCC[C@@H](C(=O)N(CC)C[C@H](C)C#N)[NH+](C)C ZINC000161631923 323548842 /nfs/dbraw/zinc/54/88/42/323548842.db2.gz AOGDIQXOSMEFKU-NEPJUHHUSA-N 1 0 239.363 1.725 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000638471272 352281490 /nfs/dbraw/zinc/28/14/90/352281490.db2.gz ACCASADAQGWTFM-UTUOFQBUSA-N 1 0 222.332 1.538 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000638471319 352281743 /nfs/dbraw/zinc/28/17/43/352281743.db2.gz CBRQIACCQYOJOF-NEPJUHHUSA-N 1 0 224.348 1.784 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000638472946 352285823 /nfs/dbraw/zinc/28/58/23/352285823.db2.gz XQIRCFCPWPQNIG-CHWSQXEVSA-N 1 0 236.359 1.801 10 30 BDEERO C[C@H](CCC#N)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000411419790 191186835 /nfs/dbraw/zinc/18/68/35/191186835.db2.gz GTDLEPAPVSKBIY-UTUOFQBUSA-N 1 0 209.337 1.561 10 30 BDEERO CC1(C)C[C@@H](O)CC[N@H+](CCS)C1 ZINC000307361745 352445330 /nfs/dbraw/zinc/44/53/30/352445330.db2.gz HTZKVSFXWBVANU-VIFPVBQESA-N 1 0 203.351 1.399 10 30 BDEERO CN(CCC[NH3+])c1c(C#N)cnc2ccccc21 ZINC000133821003 352499035 /nfs/dbraw/zinc/49/90/35/352499035.db2.gz OWIJDUAAMQFPKZ-UHFFFAOYSA-N 1 0 240.310 1.891 10 30 BDEERO CC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691976 188012867 /nfs/dbraw/zinc/01/28/67/188012867.db2.gz WWGGGPQZIHLBNE-UHFFFAOYSA-N 1 0 222.675 1.609 10 30 BDEERO C=C(Br)COCC1CC[NH2+]CC1 ZINC000051815095 188046805 /nfs/dbraw/zinc/04/68/05/188046805.db2.gz MIIUUOAIFVLIQY-UHFFFAOYSA-N 1 0 234.137 1.911 10 30 BDEERO C[C@H](C[NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000420223216 192178516 /nfs/dbraw/zinc/17/85/16/192178516.db2.gz ZRAYCZBQJHDPGI-SNVBAGLBSA-N 1 0 240.310 1.535 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000160093599 353252260 /nfs/dbraw/zinc/25/22/60/353252260.db2.gz KNPKDHARMHYMIV-LBPRGKRZSA-N 1 0 233.315 1.656 10 30 BDEERO CC#CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000160084035 353252786 /nfs/dbraw/zinc/25/27/86/353252786.db2.gz CYBHDAHJBZJQOD-CYBMUJFWSA-N 1 0 229.327 1.839 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000232711626 353264492 /nfs/dbraw/zinc/26/44/92/353264492.db2.gz GCUHGLPMMRGVQA-VIFPVBQESA-N 1 0 249.274 1.257 10 30 BDEERO C[C@@H]1CCN(c2ccncc2C#N)C[C@H]1C[NH3+] ZINC000398972284 353400949 /nfs/dbraw/zinc/40/09/49/353400949.db2.gz AWRAJQGNJWTXND-ZYHUDNBSSA-N 1 0 230.315 1.374 10 30 BDEERO COC(=O)[C@H]1CC[N@H+](CCCC#N)C[C@H]1C ZINC000191794518 353511010 /nfs/dbraw/zinc/51/10/10/353511010.db2.gz XNNQRSXEXIWGIG-MNOVXSKESA-N 1 0 224.304 1.421 10 30 BDEERO N#CC1(Nc2ccccc2F)CC[NH2+]CC1 ZINC000040695163 181030853 /nfs/dbraw/zinc/03/08/53/181030853.db2.gz LQSOOJBVVKMOLH-UHFFFAOYSA-N 1 0 219.263 1.883 10 30 BDEERO N#CC1(N2CC[NH2+]CC2)CCCCCCC1 ZINC000019281275 181029691 /nfs/dbraw/zinc/02/96/91/181029691.db2.gz AOHXDAMMICBOAW-UHFFFAOYSA-N 1 0 221.348 1.898 10 30 BDEERO N#CCOc1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738695 181044161 /nfs/dbraw/zinc/04/41/61/181044161.db2.gz JBPGMKZIBPMUDS-GFCCVEGCSA-N 1 0 246.310 1.715 10 30 BDEERO N#CCN(CC#N)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042913362 181040129 /nfs/dbraw/zinc/04/01/29/181040129.db2.gz ZYGGBHZGQAYTKI-GFCCVEGCSA-N 1 0 232.262 1.175 10 30 BDEERO N#C[C@H]([C@H]1CC=CCC1)N1CCC[NH2+]CC1 ZINC000037940541 181066960 /nfs/dbraw/zinc/06/69/60/181066960.db2.gz BDJZXBDNKKARBA-QWHCGFSZSA-N 1 0 219.332 1.530 10 30 BDEERO N#C[C@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037940503 181066606 /nfs/dbraw/zinc/06/66/06/181066606.db2.gz DQLGGXMBYMFOKN-CYBMUJFWSA-N 1 0 231.299 1.252 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000062072690 181060117 /nfs/dbraw/zinc/06/01/17/181060117.db2.gz LLNMQUZNNVNQMX-QWHCGFSZSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H](c1c(F)cccc1F)N1CC[NH2+]CC1 ZINC000019388301 181066843 /nfs/dbraw/zinc/06/68/43/181066843.db2.gz GJQCKQFGUOSJOV-LLVKDONJSA-N 1 0 237.253 1.435 10 30 BDEERO N#Cc1c(Cl)cccc1OCCC[NH3+] ZINC000052908598 181073670 /nfs/dbraw/zinc/07/36/70/181073670.db2.gz JIBONMLXVNVZLM-UHFFFAOYSA-N 1 0 210.664 1.939 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825987 181067349 /nfs/dbraw/zinc/06/73/49/181067349.db2.gz NFDKXEHFLOCQFJ-KPFVRQRISA-N 1 0 249.358 1.702 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000054830126 181067732 /nfs/dbraw/zinc/06/77/32/181067732.db2.gz CYBQMYKIAADNHJ-OLZOCXBDSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000054826378 181067853 /nfs/dbraw/zinc/06/78/53/181067853.db2.gz WMQZDMIOHJLZNU-NEPJUHHUSA-N 1 0 218.304 1.555 10 30 BDEERO N#Cc1cc(Br)cc(CC[NH3+])c1 ZINC000095762106 181081877 /nfs/dbraw/zinc/08/18/77/181081877.db2.gz PTCOYXWTHBIYEV-UHFFFAOYSA-N 1 0 225.089 1.822 10 30 BDEERO N#Cc1c(NC(=O)C[NH3+])sc2c1CCC2 ZINC000031959998 181078288 /nfs/dbraw/zinc/07/82/88/181078288.db2.gz PIWJBCHJXGGABL-UHFFFAOYSA-N 1 0 221.285 1.006 10 30 BDEERO N#Cc1cc(F)c(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC000335308451 181086951 /nfs/dbraw/zinc/08/69/51/181086951.db2.gz JOXYTEXLKGHMRF-SKDRFNHKSA-N 1 0 249.264 1.635 10 30 BDEERO N#Cc1cc2c(nc1O[C@H]1CCC[NH2+]C1)CCC2 ZINC000051873161 181094226 /nfs/dbraw/zinc/09/42/26/181094226.db2.gz YZLWOSDRCVDUJP-LBPRGKRZSA-N 1 0 243.310 1.573 10 30 BDEERO N#Cc1cc(OC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000061813106 181092410 /nfs/dbraw/zinc/09/24/10/181092410.db2.gz OWRZGYILARZRCR-JTQLQIEISA-N 1 0 217.272 1.474 10 30 BDEERO N#Cc1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000008699547 181096597 /nfs/dbraw/zinc/09/65/97/181096597.db2.gz CKWVGBRMTUSCPG-UHFFFAOYSA-N 1 0 214.268 1.741 10 30 BDEERO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000311098153 181097785 /nfs/dbraw/zinc/09/77/85/181097785.db2.gz PFWDHTAJRASKHE-JTQLQIEISA-N 1 0 245.282 1.071 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089161874 181109171 /nfs/dbraw/zinc/10/91/71/181109171.db2.gz BOCOUXPJGCBZBJ-ZIAGYGMSSA-N 1 0 230.311 1.809 10 30 BDEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2O)s1 ZINC000165229949 181110296 /nfs/dbraw/zinc/11/02/96/181110296.db2.gz SXRAUGSEPKVFOZ-WDEREUQCSA-N 1 0 222.313 1.623 10 30 BDEERO N#Cc1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000044509254 181120659 /nfs/dbraw/zinc/12/06/59/181120659.db2.gz ZYEFMUHQNHNGLS-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC(=O)NC2)c1 ZINC000104331805 181113346 /nfs/dbraw/zinc/11/33/46/181113346.db2.gz UHALYWNSWXZKNV-NSHDSACASA-N 1 0 247.273 1.066 10 30 BDEERO N#Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nc1 ZINC000038051022 181126512 /nfs/dbraw/zinc/12/65/12/181126512.db2.gz ZNAQZRKPWDCYSV-QWRGUYRKSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1ccc([C@H](O)C[NH2+]C2CC2)cc1 ZINC000037871927 181129729 /nfs/dbraw/zinc/12/97/29/181129729.db2.gz BFNIJLFJYRPCEJ-GFCCVEGCSA-N 1 0 202.257 1.344 10 30 BDEERO N#Cc1ccc2c(c1)nccc2NCC[NH3+] ZINC000096928493 181130826 /nfs/dbraw/zinc/13/08/26/181130826.db2.gz JKNFOPFXFUBVSS-UHFFFAOYSA-N 1 0 212.256 1.477 10 30 BDEERO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000037749340 181138071 /nfs/dbraw/zinc/13/80/71/181138071.db2.gz RBMLMCSERKBPFS-OLZOCXBDSA-N 1 0 216.284 1.561 10 30 BDEERO N#Cc1ccccc1COC[C@H]1CCC[NH2+]1 ZINC000051816401 181147112 /nfs/dbraw/zinc/14/71/12/181147112.db2.gz QVHNJNPVCXQFSX-CYBMUJFWSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000019412837 181147864 /nfs/dbraw/zinc/14/78/64/181147864.db2.gz OKUKFKGRIKXFOW-UHFFFAOYSA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1ccccc1OC[C@@H]1CCC[NH2+]1 ZINC000051865908 181149844 /nfs/dbraw/zinc/14/98/44/181149844.db2.gz MATREPYERFPXPQ-NSHDSACASA-N 1 0 202.257 1.689 10 30 BDEERO N#Cc1cccnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000051871264 181154341 /nfs/dbraw/zinc/15/43/41/181154341.db2.gz FSHNUDRHTIQXRK-LBPRGKRZSA-N 1 0 231.299 1.864 10 30 BDEERO N#Cc1ccsc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116199 181161717 /nfs/dbraw/zinc/16/17/17/181161717.db2.gz DSFLGIKVOQRTPE-QMMMGPOBSA-N 1 0 221.285 1.168 10 30 BDEERO N#Cc1ncccc1COC[C@@H]1CCC[NH2+]1 ZINC000061659436 181170670 /nfs/dbraw/zinc/17/06/70/181170670.db2.gz WGPUMHKOMCGWLN-NSHDSACASA-N 1 0 217.272 1.222 10 30 BDEERO N#Cc1nccnc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000054378631 181172621 /nfs/dbraw/zinc/17/26/21/181172621.db2.gz GJXYPKVAJAJLST-JQWIXIFHSA-N 1 0 243.314 1.069 10 30 BDEERO NC(=[NH2+])NN=Cc1c(Cl)cc(O)cc1Cl ZINC000065742895 181188202 /nfs/dbraw/zinc/18/82/02/181188202.db2.gz QRZKXEGHKZWKKZ-DXNYSGJVSA-N 1 0 247.085 1.516 10 30 in-vitro BDEERO C=C(Br)CN1CCC(C)([NH2+]C)CC1 ZINC000168468548 355840764 /nfs/dbraw/zinc/84/07/64/355840764.db2.gz IWWUGWXIKKKCFE-UHFFFAOYSA-N 1 0 247.180 1.969 10 30 BDEERO C[Si](C)(C)C#C[C@]1(O)C[NH+]2CCC1CC2 ZINC000203588461 356421955 /nfs/dbraw/zinc/42/19/55/356421955.db2.gz QEKVBDSVLTUEDR-LBPRGKRZSA-N 1 0 223.392 1.324 10 30 BDEERO C[C@@H]([NH3+])CCNc1c(F)cc(C#N)cc1F ZINC000088125069 356520450 /nfs/dbraw/zinc/52/04/50/356520450.db2.gz MEDWMXVQUGCZHH-SSDOTTSWSA-N 1 0 225.242 1.986 10 30 BDEERO C[C@@H]([NH3+])CNc1c(F)cc(C#N)cc1F ZINC000088125071 356521659 /nfs/dbraw/zinc/52/16/59/356521659.db2.gz OZLBLFWLNDEQEL-ZCFIWIBFSA-N 1 0 211.215 1.596 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ncn1 ZINC000385158901 356912694 /nfs/dbraw/zinc/91/26/94/356912694.db2.gz FZKCZFOWQSDFGE-LBPRGKRZSA-N 1 0 243.314 1.023 10 30 BDEERO C=CCN(CCOC)C(=O)[C@H](CCC)[NH+](C)C ZINC000191969867 357808026 /nfs/dbraw/zinc/80/80/26/357808026.db2.gz APTZYEKYXJFFRY-LBPRGKRZSA-N 1 0 242.363 1.378 10 30 BDEERO C#CCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000191998962 357819830 /nfs/dbraw/zinc/81/98/30/357819830.db2.gz XHNCCBWVEBUZKV-UHFFFAOYSA-N 1 0 234.343 1.487 10 30 BDEERO N#Cc1ccccc1CN1CCC[C@H]1C[NH3+] ZINC000168923423 358000272 /nfs/dbraw/zinc/00/02/72/358000272.db2.gz HUUVZSRRWAECGM-ZDUSSCGKSA-N 1 0 215.300 1.481 10 30 BDEERO CN(C)C(=[NH+]Cc1cc(F)cc(F)c1)N(C)C ZINC000170910640 134254931 /nfs/dbraw/zinc/25/49/31/134254931.db2.gz RAOYNPQRPCUDAH-UHFFFAOYSA-N 1 0 241.285 1.944 10 30 BDEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000171740582 134260761 /nfs/dbraw/zinc/26/07/61/134260761.db2.gz FLBMVGBOCYWAOH-CMPLNLGQSA-N 1 0 237.347 1.344 10 30 BDEERO N#CCCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884515 358438352 /nfs/dbraw/zinc/43/83/52/358438352.db2.gz FDWAJMYAOSFMFQ-ZDUSSCGKSA-N 1 0 247.346 1.684 10 30 BDEERO C=C(Br)CNC(N[C@@H]1C[C@H]1C)=[NH+]C ZINC000176384052 134291223 /nfs/dbraw/zinc/29/12/23/134291223.db2.gz KLEXIXNQCGPYOT-HTRCEHHLSA-N 1 0 246.152 1.468 10 30 BDEERO N#Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000176878578 134294605 /nfs/dbraw/zinc/29/46/05/134294605.db2.gz GNAVBRCXVKCHLV-UHFFFAOYSA-N 1 0 242.326 1.628 10 30 BDEERO N#Cc1cc(Br)ccc1NC(N)=[NH2+] ZINC000306176043 358985702 /nfs/dbraw/zinc/98/57/02/358985702.db2.gz WDHPQJIELZYPFI-UHFFFAOYSA-N 1 0 239.076 1.626 10 30 BDEERO C=C(Br)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000306236434 359397362 /nfs/dbraw/zinc/39/73/62/359397362.db2.gz LAHIKMKXHRFSLY-LPEHRKFASA-N 1 0 245.164 1.564 10 30 BDEERO CC[C@H](C[NH3+])C(=O)C#Cc1ccccc1 ZINC000306326017 359609652 /nfs/dbraw/zinc/60/96/52/359609652.db2.gz WTAUDPQJMANRPJ-GFCCVEGCSA-N 1 0 201.269 1.592 10 30 BDEERO C[NH+](C)CCc1ncc(C#N)c(Cl)n1 ZINC000306336283 359635743 /nfs/dbraw/zinc/63/57/43/359635743.db2.gz GUCIWTWQDZUHJI-UHFFFAOYSA-N 1 0 210.668 1.106 10 30 BDEERO N#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449505 359644121 /nfs/dbraw/zinc/64/41/21/359644121.db2.gz JPCPIQSFECCNGL-DGCLKSJQSA-N 1 0 243.310 1.872 10 30 BDEERO [NH3+][C@@H]1CC[C@H](CC(=O)C2=COCCC2)C1 ZINC000306485200 360161118 /nfs/dbraw/zinc/16/11/18/360161118.db2.gz HFJOBLITJAKUSK-GXSJLCMTSA-N 1 0 209.289 1.767 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCC1 ZINC000093220906 360223016 /nfs/dbraw/zinc/22/30/16/360223016.db2.gz OTKRKLSCRHQVRW-GFCCVEGCSA-N 1 0 249.358 1.623 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000306557209 360430178 /nfs/dbraw/zinc/43/01/78/360430178.db2.gz NOTASFJJNYPKQC-GUBZILKMSA-N 1 0 203.351 1.662 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000161051909 360434794 /nfs/dbraw/zinc/43/47/94/360434794.db2.gz PNWVEBAYEFNTLC-LBPRGKRZSA-N 1 0 230.315 1.402 10 30 BDEERO [NH3+]CC#Cc1cncc(OCc2ccccc2)c1 ZINC000070044051 361384012 /nfs/dbraw/zinc/38/40/12/361384012.db2.gz DLFMPLLONPMEBN-UHFFFAOYSA-N 1 0 238.290 1.971 10 30 BDEERO [NH3+]C1CCN(CC#Cc2ccccc2)CC1 ZINC000051814735 181343373 /nfs/dbraw/zinc/34/33/73/181343373.db2.gz XNPPQGLSPOBTQL-UHFFFAOYSA-N 1 0 214.312 1.461 10 30 BDEERO [NH3+]CC#Cc1cccc(COC2CCOCC2)c1 ZINC000049611161 181346097 /nfs/dbraw/zinc/34/60/97/181346097.db2.gz QPBOAKLTHADUEI-UHFFFAOYSA-N 1 0 245.322 1.692 10 30 BDEERO CC#CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000155460763 201333890 /nfs/dbraw/zinc/33/38/90/201333890.db2.gz PJPDASAXSAIXLE-KGLIPLIRSA-N 1 0 238.375 1.177 10 30 BDEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037165128 361710324 /nfs/dbraw/zinc/71/03/24/361710324.db2.gz YWELEYRONQWUBG-KBPBESRZSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1OC(F)F ZINC000037471113 181345940 /nfs/dbraw/zinc/34/59/40/181345940.db2.gz YOXAYGARQTVIMA-UHFFFAOYSA-N 1 0 215.174 1.737 10 30 BDEERO [NH3+]CC#Cc1ccsc1C(=O)NC1CCCC1 ZINC000104285843 181347687 /nfs/dbraw/zinc/34/76/87/181347687.db2.gz LMGFCFXKQVXEEZ-UHFFFAOYSA-N 1 0 248.351 1.731 10 30 BDEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)N1CCCC1 ZINC000037569762 181346536 /nfs/dbraw/zinc/34/65/36/181346536.db2.gz NYDZXKHDCQCSHR-UHFFFAOYSA-N 1 0 246.285 1.372 10 30 BDEERO [NH3+]CCNC(=S)Nc1c(F)cccc1F ZINC000029206257 181356986 /nfs/dbraw/zinc/35/69/86/181356986.db2.gz SGEQOEUCDBLOQX-UHFFFAOYSA-N 1 0 231.271 1.621 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1C#N ZINC000600951977 364361752 /nfs/dbraw/zinc/36/17/52/364361752.db2.gz POFBZRZRTKWKQA-WDEREUQCSA-N 1 0 216.288 1.506 10 30 BDEERO CC[NH2+]CCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130690336 364394859 /nfs/dbraw/zinc/39/48/59/364394859.db2.gz RIURCERWBFIKMM-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO [NH3+]CCN1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000095077593 181393004 /nfs/dbraw/zinc/39/30/04/181393004.db2.gz PEAIAIUAWWIIPW-MNOVXSKESA-N 1 0 214.378 1.367 10 30 BDEERO N#Cc1ncccc1NC[C@@H]1CCCC[NH2+]1 ZINC000131037394 370857893 /nfs/dbraw/zinc/85/78/93/370857893.db2.gz UYIIUOJZHLYOJY-JTQLQIEISA-N 1 0 216.288 1.507 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000382553337 367538902 /nfs/dbraw/zinc/53/89/02/367538902.db2.gz YKNFCEYQOCAXRR-GHMZBOCLSA-N 1 0 208.305 1.021 10 30 BDEERO C#C[C@H]([NH2+]CC)[C@H]1SCCS[C@H]1C ZINC000252722917 367894137 /nfs/dbraw/zinc/89/41/37/367894137.db2.gz SBVQWBUELQYHOE-GUBZILKMSA-N 1 0 215.387 1.835 10 30 BDEERO Cc1c[n+](CC(=O)c2ccccc2)cnc1C ZINC000048523539 368377323 /nfs/dbraw/zinc/37/73/23/368377323.db2.gz OCWHFAFEQPDUJM-UHFFFAOYSA-N 1 0 227.287 1.869 10 30 BDEERO N#Cc1ccc(C(=O)C[n+]2ccc(C#N)cc2)cc1 ZINC000048522963 368420067 /nfs/dbraw/zinc/42/00/67/368420067.db2.gz XMYQWNZGHCMUCI-UHFFFAOYSA-N 1 0 248.265 1.600 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592280 369029904 /nfs/dbraw/zinc/02/99/04/369029904.db2.gz PWVXRCYCCKILQJ-LLVKDONJSA-N 1 0 248.286 1.862 10 30 BDEERO COCCOCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054827917 369101170 /nfs/dbraw/zinc/10/11/70/369101170.db2.gz REHNLPRBANDREU-RYUDHWBXSA-N 1 0 226.320 1.321 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc(C#N)n1 ZINC000600954396 369575669 /nfs/dbraw/zinc/57/56/69/369575669.db2.gz AOWHJYYPYNDDQF-GXSJLCMTSA-N 1 0 230.315 1.236 10 30 BDEERO C[C@H]1CC[C@@H](Nc2cnccc2C#N)C[NH2+]1 ZINC000600955413 369577178 /nfs/dbraw/zinc/57/71/78/369577178.db2.gz MCXVXTNFGPQJQX-GXSJLCMTSA-N 1 0 216.288 1.506 10 30 BDEERO N#Cc1cc(F)ccc1NCC1([NH3+])CCOCC1 ZINC000600952603 369576033 /nfs/dbraw/zinc/57/60/33/369576033.db2.gz QCFJLJGMGKAXGS-UHFFFAOYSA-N 1 0 249.289 1.617 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccc(C)c1C#N ZINC000600951085 369577532 /nfs/dbraw/zinc/57/75/32/369577532.db2.gz GMASWNSRRJZEOH-NWDGAFQWSA-N 1 0 230.315 1.814 10 30 BDEERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(C#N)cn1 ZINC000600955823 369577578 /nfs/dbraw/zinc/57/75/78/369577578.db2.gz RQSJGDIIKSSGEZ-SKDRFNHKSA-N 1 0 230.315 1.236 10 30 BDEERO N#Cc1ccc(NCC2([NH3+])CCOCC2)cc1 ZINC000600951794 369578374 /nfs/dbraw/zinc/57/83/74/369578374.db2.gz HVEUYGPIEORQPD-UHFFFAOYSA-N 1 0 231.299 1.478 10 30 BDEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1C[NH3+] ZINC000600961513 369582588 /nfs/dbraw/zinc/58/25/88/369582588.db2.gz RXXPIETULQOYNH-MWLCHTKSSA-N 1 0 233.290 1.728 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CCCO1 ZINC000251633279 369876536 /nfs/dbraw/zinc/87/65/36/369876536.db2.gz RJJUJLLLRSWDCI-NNYUYHANSA-N 1 0 208.305 1.836 10 30 BDEERO N#Cc1cc(Cl)cnc1N1CC[NH2+]CC1 ZINC000409442737 369978320 /nfs/dbraw/zinc/97/83/20/369978320.db2.gz ZVIHXOSHWQRKNR-UHFFFAOYSA-N 1 0 222.679 1.016 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000252451432 370041734 /nfs/dbraw/zinc/04/17/34/370041734.db2.gz LWTPOISJNULTRM-QJPTWQEYSA-N 1 0 208.305 1.837 10 30 BDEERO C[C@H]([NH3+])CCNc1nc2c(cc1C#N)CCCC2 ZINC000063171450 370137882 /nfs/dbraw/zinc/13/78/82/370137882.db2.gz YUTJXARIDWGDGP-JTQLQIEISA-N 1 0 244.342 1.981 10 30 BDEERO CC[C@@H]([NH3+])CNc1cccc(F)c1C#N ZINC000082579243 371012396 /nfs/dbraw/zinc/01/23/96/371012396.db2.gz FPNDXJFKMGURMN-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO CN(CCC[NH3+])c1cc(Cl)ccc1C#N ZINC000227749640 371928428 /nfs/dbraw/zinc/92/84/28/371928428.db2.gz YITYLGQXIGXMLW-UHFFFAOYSA-N 1 0 223.707 1.997 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(C#N)cc2F)CCO1 ZINC000132984851 371964309 /nfs/dbraw/zinc/96/43/09/371964309.db2.gz HAGJBFNBARIRBX-RNCFNFMXSA-N 1 0 249.289 1.250 10 30 BDEERO C#CC[C@H]([NH2+]C)[C@H]1SCCS[C@@H]1C ZINC000228122691 371994062 /nfs/dbraw/zinc/99/40/62/371994062.db2.gz RUIATXBNOJZWMR-UTLUCORTSA-N 1 0 215.387 1.835 10 30 BDEERO OCC[N@@H+]1CCC2(CC(CS)C2)C1 ZINC000095078888 183071675 /nfs/dbraw/zinc/07/16/75/183071675.db2.gz UTPRENNIHMNRMR-UHFFFAOYSA-N 1 0 201.335 1.011 10 30 BDEERO OCC[NH2+][C@@H]1CCCCCC/C1=N/O ZINC000033696935 183079045 /nfs/dbraw/zinc/07/90/45/183079045.db2.gz LXCSLIWQHWOFRH-IHHQEMEHSA-N 1 0 200.282 1.121 10 30 BDEERO CCC[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617722 169078859 /nfs/dbraw/zinc/07/88/59/169078859.db2.gz UMAZBLQKUCDCTQ-UHFFFAOYSA-N 1 0 247.338 1.751 10 30 BDEERO C[C@H](C#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220901804 134315139 /nfs/dbraw/zinc/31/51/39/134315139.db2.gz NWCZOGWLPKBHIR-GRYCIOLGSA-N 1 0 207.321 1.315 10 30 BDEERO CCCN[C@@H](C#N)CCN(C)CCC[NH+](C)C ZINC000104193524 169273803 /nfs/dbraw/zinc/27/38/03/169273803.db2.gz VWIRHSAKFVIXNQ-CYBMUJFWSA-N 1 0 240.395 1.152 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334745261 383947406 /nfs/dbraw/zinc/94/74/06/383947406.db2.gz FBXHMZSQCAUMET-BXUZGUMPSA-N 1 0 230.311 1.761 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334825894 383956734 /nfs/dbraw/zinc/95/67/34/383956734.db2.gz HPAREDKIGWWNSQ-GXFFZTMASA-N 1 0 248.301 1.900 10 30 BDEERO CC(C)(C)OC(=O)[C@H]1CCC[C@@]1([NH3+])C=O ZINC000091368749 384122928 /nfs/dbraw/zinc/12/29/28/384122928.db2.gz HXISAKDBCXECSZ-LDYMZIIASA-N 1 0 213.277 1.025 10 30 BDEERO Cc1ccnc(NCC[C@H](C)[NH3+])c1C#N ZINC000135199324 384175532 /nfs/dbraw/zinc/17/55/32/384175532.db2.gz LLCOOCILYULZML-VIFPVBQESA-N 1 0 204.277 1.411 10 30 BDEERO C[C@@H]1CN(c2cnccc2C#N)C[C@@]1(C)C[NH3+] ZINC000310347342 384240478 /nfs/dbraw/zinc/24/04/78/384240478.db2.gz FRDNOSOSXZPSQF-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO Cc1ccnc(N[C@H](C)CCC[NH3+])c1C#N ZINC000336668045 384252101 /nfs/dbraw/zinc/25/21/01/384252101.db2.gz QTANXCLSTKGUCC-SNVBAGLBSA-N 1 0 218.304 1.801 10 30 BDEERO C[C@@H]1C[C@H](N(C)c2nccc(C#N)n2)CC[N@@H+]1C ZINC000297133095 384610146 /nfs/dbraw/zinc/61/01/46/384610146.db2.gz NCOOXKJQOQEDEH-ZYHUDNBSSA-N 1 0 245.330 1.267 10 30 BDEERO C[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000100248070 384627368 /nfs/dbraw/zinc/62/73/68/384627368.db2.gz VLJYMRXGXDSNOY-FOGDFJRCSA-N 1 0 242.388 1.282 10 30 BDEERO CC[NH2+]CCCNc1nc2c(cc1C#N)CCC2 ZINC000043405801 384646315 /nfs/dbraw/zinc/64/63/15/384646315.db2.gz GOBDZHTVXLDFSO-UHFFFAOYSA-N 1 0 244.342 1.853 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309004734 385364434 /nfs/dbraw/zinc/36/44/34/385364434.db2.gz PJGCPUVSRDVRIV-OUAUKWLOSA-N 1 0 210.321 1.675 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309004733 385365701 /nfs/dbraw/zinc/36/57/01/385365701.db2.gz PJGCPUVSRDVRIV-HBNTYKKESA-N 1 0 210.321 1.675 10 30 BDEERO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308240614 385412019 /nfs/dbraw/zinc/41/20/19/385412019.db2.gz NIISHTNIVKIFQI-RYUDHWBXSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N2CCCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308246037 385414110 /nfs/dbraw/zinc/41/41/10/385414110.db2.gz VDFBGFYFAIQBKK-LBPRGKRZSA-N 1 0 230.315 1.579 10 30 BDEERO C=C(Cl)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000306723162 385616656 /nfs/dbraw/zinc/61/66/56/385616656.db2.gz GODWKXKFZJVPDA-JTQLQIEISA-N 1 0 201.697 1.994 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000228821900 385817030 /nfs/dbraw/zinc/81/70/30/385817030.db2.gz UVDWHYBBNJGIIV-ZWNOBZJWSA-N 1 0 244.342 1.825 10 30 BDEERO C#CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806400 533151280 /nfs/dbraw/zinc/15/12/80/533151280.db2.gz DTFLTTJJTKGIDA-UHFFFAOYSA-N 1 0 230.315 1.010 10 30 BDEERO CC(C)C[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000231900703 385872962 /nfs/dbraw/zinc/87/29/62/385872962.db2.gz BTGUEZORUFHVIY-UHFFFAOYSA-N 1 0 245.330 1.126 10 30 BDEERO N#Cc1ccc([C@H]2COCCC[N@H+]2CCO)cc1 ZINC000616599559 386392193 /nfs/dbraw/zinc/39/21/93/386392193.db2.gz LLADYVNSTYHJNI-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+](C)C ZINC000408368410 386396353 /nfs/dbraw/zinc/39/63/53/386396353.db2.gz HVHUOKFVPWXTRP-UTUOFQBUSA-N 1 0 237.347 1.381 10 30 BDEERO Cc1cc(N[C@H](C)CCC[NH3+])c(C#N)cn1 ZINC000398992528 386407931 /nfs/dbraw/zinc/40/79/31/386407931.db2.gz MEWZXVBCENBSHN-SECBINFHSA-N 1 0 218.304 1.223 10 30 BDEERO C[NH2+][C@H](C)CNC(=O)Nc1ccc(CC#N)cc1 ZINC000414761452 386417832 /nfs/dbraw/zinc/41/78/32/386417832.db2.gz TWMNINYUIYLQQW-SNVBAGLBSA-N 1 0 246.314 1.482 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000336666687 386775025 /nfs/dbraw/zinc/77/50/25/386775025.db2.gz PYLOYGDGCAZLCU-KOLCDFICSA-N 1 0 238.722 1.818 10 30 BDEERO C[C@H]1C[C@](C#N)(NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000575495995 387315123 /nfs/dbraw/zinc/31/51/23/387315123.db2.gz CJYUMYDAUWZKQM-JOYOIKCWSA-N 1 0 239.319 1.545 10 30 BDEERO C[N@@H+]1CCC[C@H]1c1cncc(C#CC(C)(C)O)c1 ZINC000033798964 387398493 /nfs/dbraw/zinc/39/84/93/387398493.db2.gz IFPUJRNUSSIRNX-AWEZNQCLSA-N 1 0 244.338 1.971 10 30 BDEERO Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC000292051962 387489481 /nfs/dbraw/zinc/48/94/81/387489481.db2.gz WCKWVNGPKJBQGC-GFCCVEGCSA-N 1 0 244.342 1.650 10 30 BDEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424134039 387640268 /nfs/dbraw/zinc/64/02/68/387640268.db2.gz HLJQVIWQOPCHHB-JQWIXIFHSA-N 1 0 237.347 1.702 10 30 BDEERO C=C(C)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171703270 387831416 /nfs/dbraw/zinc/83/14/16/387831416.db2.gz PJDCFXVNBFLUAE-LLVKDONJSA-N 1 0 206.293 1.491 10 30 BDEERO C#CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195355291 387911235 /nfs/dbraw/zinc/91/12/35/387911235.db2.gz LHESWLNTPMNODF-SNVBAGLBSA-N 1 0 206.314 1.956 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@@H+]1CC1(C=O)CCCC1 ZINC000306621912 388010346 /nfs/dbraw/zinc/01/03/46/388010346.db2.gz CRCVXXDZZNEPKO-GHMZBOCLSA-N 1 0 211.305 1.201 10 30 BDEERO CC[NH2+]CCCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214652313 256513429 /nfs/dbraw/zinc/51/34/29/256513429.db2.gz YUQPYZSBWNEZQI-UHFFFAOYSA-N 1 0 249.274 1.273 10 30 BDEERO CNC(N[C@H]1CCCSCC1)=[NH+]C ZINC000575519043 388356276 /nfs/dbraw/zinc/35/62/76/388356276.db2.gz YOMBNJFKVWNTHT-QMMMGPOBSA-N 1 0 201.339 1.067 10 30 BDEERO N#Cc1ccncc1NCC12CC(C1)C[NH2+]2 ZINC000596027243 388400513 /nfs/dbraw/zinc/40/05/13/388400513.db2.gz QFHFEMPNPIUHSF-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO CC#CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000135722569 388506427 /nfs/dbraw/zinc/50/64/27/388506427.db2.gz IOABJSKRQXDPKG-NWDGAFQWSA-N 1 0 237.347 1.038 10 30 BDEERO CN(C[C@H]1CCC[NH2+]1)c1cc(C#N)ccn1 ZINC000095070939 388590751 /nfs/dbraw/zinc/59/07/51/388590751.db2.gz IUBWENYLFRTDCH-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO C=CCCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000220251165 388602435 /nfs/dbraw/zinc/60/24/35/388602435.db2.gz ZGEZWBHPADWBQU-LBPRGKRZSA-N 1 0 224.348 1.801 10 30 BDEERO C=CCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000187157818 388605651 /nfs/dbraw/zinc/60/56/51/388605651.db2.gz HMIWVVGFXHCCJG-NEPJUHHUSA-N 1 0 239.363 1.543 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccc1C#N ZINC000252675110 388658717 /nfs/dbraw/zinc/65/87/17/388658717.db2.gz WVDAVORJHCZPSB-YPMHNXCESA-N 1 0 242.326 1.626 10 30 BDEERO CCc1nnc(N[C@@H](C)C[NH3+])c(C#N)c1CC ZINC000124177431 388741832 /nfs/dbraw/zinc/74/18/32/388741832.db2.gz WBKQRDDKXVUGIU-QMMMGPOBSA-N 1 0 233.319 1.232 10 30 BDEERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095075890 388757932 /nfs/dbraw/zinc/75/79/32/388757932.db2.gz CNNOUORXMZSENV-UONOGXRCSA-N 1 0 230.311 1.725 10 30 BDEERO C[C@@H]1C[C@H](Nc2nccc(C#N)n2)C[N@@H+]1C1CC1 ZINC000297612447 388802110 /nfs/dbraw/zinc/80/21/10/388802110.db2.gz VRLJUTWZZZVJGD-KOLCDFICSA-N 1 0 243.314 1.385 10 30 BDEERO C[C@@H]1CCCN(c2ncccc2C#N)[C@@H]1C[NH3+] ZINC000070178561 132230339 /nfs/dbraw/zinc/23/03/39/132230339.db2.gz VWVISRVRJNHYIS-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000161750005 132232846 /nfs/dbraw/zinc/23/28/46/132232846.db2.gz UVDWHYBBNJGIIV-MFKMUULPSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)cc(C#N)n1 ZINC000308281416 132294764 /nfs/dbraw/zinc/29/47/64/132294764.db2.gz VJOGHPYEPLNMNS-CYBMUJFWSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1ccccc1N1CCCC[C@H]1C[NH3+] ZINC000044559441 132354324 /nfs/dbraw/zinc/35/43/24/132354324.db2.gz ZKTOJYHWDCSVEF-LBPRGKRZSA-N 1 0 215.300 1.876 10 30 BDEERO C=CCC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180589815 133665141 /nfs/dbraw/zinc/66/51/41/133665141.db2.gz LCEKAGRPSTUCSE-QWHCGFSZSA-N 1 0 246.358 1.927 10 30 BDEERO COc1c(CN[C@@H]2CCC[C@H]2C#N)c(C)nn1C ZINC000168913784 134248230 /nfs/dbraw/zinc/24/82/30/134248230.db2.gz CIBKKHKMYKFDBB-CMPLNLGQSA-N 1 0 248.330 1.519 10 30 BDEERO Cc1cncc(CN2CCCC[C@@H]2/C(N)=N/O)c1 ZINC000227304150 134377428 /nfs/dbraw/zinc/37/74/28/134377428.db2.gz PVEUSFPTTCMTFN-GFCCVEGCSA-N 1 0 248.330 1.491 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000232721508 134555534 /nfs/dbraw/zinc/55/55/34/134555534.db2.gz GCUHGLPMMRGVQA-SECBINFHSA-N 1 0 249.274 1.257 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131303062 134628959 /nfs/dbraw/zinc/62/89/59/134628959.db2.gz FJRIRKOEHYVFKK-SNVBAGLBSA-N 1 0 248.286 1.862 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000070447856 134919353 /nfs/dbraw/zinc/91/93/53/134919353.db2.gz ABENHCHFZDASNU-SNVBAGLBSA-N 1 0 248.286 1.862 10 30 BDEERO CCCCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000070662775 135007198 /nfs/dbraw/zinc/00/71/98/135007198.db2.gz ZPPPEZGBPSNAQZ-SNVBAGLBSA-N 1 0 213.325 1.778 10 30 BDEERO CN(C)C(=[NH+][C@@H]1C[C@H]2OCCC[C@@H]12)N(C)C ZINC000249838782 135046268 /nfs/dbraw/zinc/04/62/68/135046268.db2.gz NEHGNERROBXQOK-HBNTYKKESA-N 1 0 225.336 1.033 10 30 BDEERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)O1 ZINC000251977123 135082783 /nfs/dbraw/zinc/08/27/83/135082783.db2.gz YLUGNPNYEUFHMP-KXNHARMFSA-N 1 0 208.305 1.836 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1nccnc1C#N ZINC000087780050 135168550 /nfs/dbraw/zinc/16/85/50/135168550.db2.gz LHTZDMVWXDZYNS-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO Cc1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1C#N ZINC000261571088 135212713 /nfs/dbraw/zinc/21/27/13/135212713.db2.gz KUPJHAMSNHRINH-GXFFZTMASA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(C#N)nc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261579032 135220076 /nfs/dbraw/zinc/22/00/76/135220076.db2.gz PJAWAOZEOGNGBC-LLVKDONJSA-N 1 0 245.330 1.220 10 30 BDEERO CC#CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000121194921 135222767 /nfs/dbraw/zinc/22/27/67/135222767.db2.gz JOAXLDMGPTYPIX-NSHDSACASA-N 1 0 203.289 1.233 10 30 BDEERO CC[C@@H]1CN(C(N[C@@H]2C[C@H]2C)=[NH+]C)CCS1 ZINC000261941832 135264935 /nfs/dbraw/zinc/26/49/35/135264935.db2.gz MVJQKGKDSXLYFM-GMTAPVOTSA-N 1 0 241.404 1.798 10 30 BDEERO Cc1cccnc1C(C)(C)CNC1=[NH+]CCN1C ZINC000262308316 135292579 /nfs/dbraw/zinc/29/25/79/135292579.db2.gz PDKBXDHGEBTRDJ-UHFFFAOYSA-N 1 0 246.358 1.559 10 30 BDEERO CNC(=[NH2+])NCc1c(C)c2ccccc2n1C ZINC000262319893 135293124 /nfs/dbraw/zinc/29/31/24/135293124.db2.gz CDHJVZYENHCSRT-UHFFFAOYSA-N 1 0 230.315 1.521 10 30 BDEERO C=CCNC(=[NH2+])NCc1nnc(C(C)C)s1 ZINC000262426053 135295857 /nfs/dbraw/zinc/29/58/57/135295857.db2.gz RQINPBSRCMJIEP-UHFFFAOYSA-N 1 0 239.348 1.252 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262386698 135299008 /nfs/dbraw/zinc/29/90/08/135299008.db2.gz DYGYBAOKPYHIRX-GMTAPVOTSA-N 1 0 225.336 1.258 10 30 BDEERO [NH2+]=C(NCCc1c[nH]c2ncccc12)NC1CC1 ZINC000262797869 135318887 /nfs/dbraw/zinc/31/88/87/135318887.db2.gz QFPOJMCIKSQUFO-UHFFFAOYSA-N 1 0 243.314 1.172 10 30 BDEERO CN1CCC[NH+]=C1NCc1cnc(C2CC2)o1 ZINC000263039323 135328266 /nfs/dbraw/zinc/32/82/66/135328266.db2.gz CDYPGKQQVOYVLX-UHFFFAOYSA-N 1 0 234.303 1.333 10 30 BDEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)NC1CCC1 ZINC000263050428 135328995 /nfs/dbraw/zinc/32/89/95/135328995.db2.gz DKEFVLHXGUXRMS-JTQLQIEISA-N 1 0 237.347 1.260 10 30 BDEERO CN(C(=[NH2+])NCC[C@H]1C[C@@H]2C=C[C@H]1C2)C1CC1 ZINC000263090473 135331951 /nfs/dbraw/zinc/33/19/51/135331951.db2.gz ISJKUQUBUGGPGV-WOPDTQHZSA-N 1 0 233.359 1.998 10 30 BDEERO CN1CCC[NH+]=C1NCCc1cccc(C#N)c1 ZINC000263158095 135336191 /nfs/dbraw/zinc/33/61/91/135336191.db2.gz QFDXBQPAOKLIKN-UHFFFAOYSA-N 1 0 242.326 1.382 10 30 BDEERO C#CC[NH2+]CCN1CCc2sccc2[C@H]1C ZINC000053391551 166186847 /nfs/dbraw/zinc/18/68/47/166186847.db2.gz WJCFOEZXEBQHQB-LLVKDONJSA-N 1 0 234.368 1.890 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000053486787 166187255 /nfs/dbraw/zinc/18/72/55/166187255.db2.gz CFCFXQXBJCBUNU-LLVKDONJSA-N 1 0 234.368 1.718 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1nnc2ccccc21 ZINC000053526823 166187640 /nfs/dbraw/zinc/18/76/40/166187640.db2.gz ATUKITCCFGZRRT-SNVBAGLBSA-N 1 0 214.272 1.215 10 30 BDEERO C#CC[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000020303310 166192323 /nfs/dbraw/zinc/19/23/23/166192323.db2.gz AOMOHPCKSAINAS-SNVBAGLBSA-N 1 0 202.257 1.236 10 30 BDEERO C(#Cc1ccccc1)COC1CC[NH2+]CC1 ZINC000051814623 166225291 /nfs/dbraw/zinc/22/52/91/166225291.db2.gz AXHJXKZORGIHFO-UHFFFAOYSA-N 1 0 215.296 1.807 10 30 BDEERO C(#Cc1ccccc1)CO[C@H]1CC[NH2+]C1 ZINC000051814625 166226219 /nfs/dbraw/zinc/22/62/19/166226219.db2.gz BREHBCYQPYQAOC-ZDUSSCGKSA-N 1 0 201.269 1.417 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1cccc(C)c1 ZINC000057520894 166372741 /nfs/dbraw/zinc/37/27/41/166372741.db2.gz ICUAKLLJAQZYAU-ZDUSSCGKSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)COc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723576 166373038 /nfs/dbraw/zinc/37/30/38/166373038.db2.gz DRZAUKMJVCIWIO-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1 ZINC000037720406 166384535 /nfs/dbraw/zinc/38/45/35/166384535.db2.gz DLEKGZWNHFRZLG-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019519317 166391357 /nfs/dbraw/zinc/39/13/57/166391357.db2.gz RYSVPXYHNAQFNB-OUAUKWLOSA-N 1 0 208.305 1.209 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccccc1F ZINC000020033687 166398877 /nfs/dbraw/zinc/39/88/77/166398877.db2.gz LZVBNYFEXSMLAO-UHFFFAOYSA-N 1 0 208.236 1.540 10 30 BDEERO C=CC[NH2+]CCC(=O)c1ccc2c(c1)OCCO2 ZINC000049835172 166399169 /nfs/dbraw/zinc/39/91/69/166399169.db2.gz SXRPBRUFRQGEEE-UHFFFAOYSA-N 1 0 247.294 1.806 10 30 BDEERO C=CC[NH2+]CCNC(=O)OC(C)(C)C ZINC000039091287 166399173 /nfs/dbraw/zinc/39/91/73/166399173.db2.gz HOUGYCLLZPICMM-UHFFFAOYSA-N 1 0 200.282 1.287 10 30 BDEERO CC(C)NC(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049587476 167072833 /nfs/dbraw/zinc/07/28/33/167072833.db2.gz TWFHQTCYSLDAOZ-UHFFFAOYSA-N 1 0 245.326 1.204 10 30 BDEERO CC(C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000037569835 167088326 /nfs/dbraw/zinc/08/83/26/167088326.db2.gz UCULKUBIKUSHMJ-UHFFFAOYSA-N 1 0 234.274 1.274 10 30 BDEERO CC(C)[NH2+]CCC(=O)NCc1cccc(C#N)c1 ZINC000037748711 167099709 /nfs/dbraw/zinc/09/97/09/167099709.db2.gz GXEMCZPMLKTYHG-UHFFFAOYSA-N 1 0 245.326 1.563 10 30 BDEERO C=C[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000309506387 411156050 /nfs/dbraw/zinc/15/60/50/411156050.db2.gz NGLVCQAUSJCRND-GHMZBOCLSA-N 1 0 210.321 1.457 10 30 BDEERO CCC(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037471193 168243919 /nfs/dbraw/zinc/24/39/19/168243919.db2.gz QQTDWXDRIPTUSY-UHFFFAOYSA-N 1 0 220.247 1.484 10 30 BDEERO C=CCOCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659359185 411401627 /nfs/dbraw/zinc/40/16/27/411401627.db2.gz PSVSBJWIRSHCDO-NEPJUHHUSA-N 1 0 240.347 1.213 10 30 BDEERO CCNC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587451 170081983 /nfs/dbraw/zinc/08/19/83/170081983.db2.gz DNTQQDBWICEYIB-NSHDSACASA-N 1 0 245.326 1.377 10 30 BDEERO CC[NH2+]C[C@@H](C)C(=O)NCc1cccc(C#N)c1 ZINC000061234416 170119175 /nfs/dbraw/zinc/11/91/75/170119175.db2.gz LJBNYIVONGSKDY-LLVKDONJSA-N 1 0 245.326 1.420 10 30 BDEERO CC[NH2+]C[C@H](C)C(=O)NCc1cccc(C#N)c1 ZINC000061234419 170121883 /nfs/dbraw/zinc/12/18/83/170121883.db2.gz LJBNYIVONGSKDY-NSHDSACASA-N 1 0 245.326 1.420 10 30 BDEERO CCOC(=O)Nc1cc(C#CC[NH3+])ccc1C ZINC000037552836 170242874 /nfs/dbraw/zinc/24/28/74/170242874.db2.gz VIHZSVXIQCQADC-UHFFFAOYSA-N 1 0 232.283 1.874 10 30 BDEERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C#N ZINC000011960807 170794896 /nfs/dbraw/zinc/79/48/96/170794896.db2.gz CSNLDMXODDPMJR-SKDRFNHKSA-N 1 0 231.299 1.870 10 30 BDEERO CC[C@@]1(C(=O)N(C)[C@@H](C)CC#N)CCC[NH2+]C1 ZINC000063092988 171195102 /nfs/dbraw/zinc/19/51/02/171195102.db2.gz FXHOWOTVLZMXEP-WCQYABFASA-N 1 0 237.347 1.527 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054825846 171323754 /nfs/dbraw/zinc/32/37/54/171323754.db2.gz BWPXJWYXBSKWME-TUAOUCFPSA-N 1 0 237.347 1.573 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)c1cccc(C#N)c1 ZINC000061980789 171393469 /nfs/dbraw/zinc/39/34/69/171393469.db2.gz QTXUCEOYDURSEP-GWCFXTLKSA-N 1 0 245.326 1.894 10 30 BDEERO CC[C@H](CC#N)NC(=O)C1([NH3+])CCCCC1 ZINC000054180006 171418217 /nfs/dbraw/zinc/41/82/17/171418217.db2.gz WUPHRSUBADBRSA-SNVBAGLBSA-N 1 0 223.320 1.456 10 30 BDEERO CCc1sc([C@@H]([NH3+])CS)nc1C ZINC000083343869 172129787 /nfs/dbraw/zinc/12/97/87/172129787.db2.gz JNDOFIKIBKFONJ-LURJTMIESA-N 1 0 202.348 1.944 10 30 BDEERO C[NH+](C)C(C)(C)CN[C@@H]1CCCC[C@@H]1C#N ZINC000054827505 172395987 /nfs/dbraw/zinc/39/59/87/172395987.db2.gz LZFIRZNYAYSOJU-VXGBXAGGSA-N 1 0 223.364 1.999 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(F)c(C#N)c2)C1 ZINC000061989869 173125601 /nfs/dbraw/zinc/12/56/01/173125601.db2.gz MHEUZAGPHOEYNM-LLVKDONJSA-N 1 0 219.263 1.813 10 30 BDEERO CNC(=O)CC[NH2+][C@@H]1CCCCC[C@H]1C#N ZINC000054828135 173260615 /nfs/dbraw/zinc/26/06/15/173260615.db2.gz FAVXNDWHGLPBND-WDEREUQCSA-N 1 0 223.320 1.185 10 30 BDEERO C[NH2+]CCCC(=O)N(CC#N)Cc1ccccc1 ZINC000038101688 173342878 /nfs/dbraw/zinc/34/28/78/173342878.db2.gz SVRANUCVDJNKGM-UHFFFAOYSA-N 1 0 245.326 1.538 10 30 BDEERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095075893 173466817 /nfs/dbraw/zinc/46/68/17/173466817.db2.gz CNNOUORXMZSENV-KGLIPLIRSA-N 1 0 230.311 1.725 10 30 BDEERO COCC[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049614813 174281438 /nfs/dbraw/zinc/28/14/38/174281438.db2.gz AQDHNQPNZMFJRL-UHFFFAOYSA-N 1 0 247.338 1.499 10 30 BDEERO COCC[NH2+]C[C@@H]1CCCN(CCCC#N)C1 ZINC000104427952 174334774 /nfs/dbraw/zinc/33/47/74/174334774.db2.gz BBEVSSGBFZZFDS-ZDUSSCGKSA-N 1 0 239.363 1.238 10 30 BDEERO COc1ccc(C#CCO)cc1C[NH+]1CCCC1 ZINC000049615589 175050858 /nfs/dbraw/zinc/05/08/58/175050858.db2.gz XAFZTWKQISXPAW-UHFFFAOYSA-N 1 0 245.322 1.635 10 30 BDEERO COc1ccc(COCC2CC2)cc1C#CC[NH3+] ZINC000049610848 175113515 /nfs/dbraw/zinc/11/35/15/175113515.db2.gz PXHOMAAQVIQFHB-UHFFFAOYSA-N 1 0 245.322 1.932 10 30 BDEERO COc1ccc2cc(C=NNC(N)=[NH2+])ccc2c1 ZINC000006258956 175224142 /nfs/dbraw/zinc/22/41/42/175224142.db2.gz MUVCLFYTQJNWRY-LZYBPNLTSA-N 1 0 242.282 1.456 10 30 BDEERO COc1cccc(CC[NH3+])c1OCCCC#N ZINC000037721622 175251611 /nfs/dbraw/zinc/25/16/11/175251611.db2.gz ZCCYQUKGRGTCSN-UHFFFAOYSA-N 1 0 234.299 1.879 10 30 BDEERO C[C@@H](S)[C@H]1[NH2+]CCc2cc(O)ccc21 ZINC000083660565 176006869 /nfs/dbraw/zinc/00/68/69/176006869.db2.gz KMIHISHJGUSROS-RDDDGLTNSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037912565 176107539 /nfs/dbraw/zinc/10/75/39/176107539.db2.gz GZGSBEKGDNLTHI-GFCCVEGCSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@@H]1C[N@H+](C[C@]2(C=O)CCCOC2)CCCO1 ZINC000104310388 176301718 /nfs/dbraw/zinc/30/17/18/176301718.db2.gz CUZYSTYXJRHSDU-OLZOCXBDSA-N 1 0 241.331 1.093 10 30 BDEERO C[C@@H]1CN(c2cnccc2C#N)C[C@H]1[NH+](C)C ZINC000252506231 176319687 /nfs/dbraw/zinc/31/96/87/176319687.db2.gz WVEJMWVQJXHYTF-ZWNOBZJWSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(F)c1C#N ZINC000104211387 176329698 /nfs/dbraw/zinc/32/96/98/176329698.db2.gz YJHDQADUASXOLX-PSASIEDQSA-N 1 0 247.273 1.491 10 30 BDEERO C[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000124141685 177266477 /nfs/dbraw/zinc/26/64/77/177266477.db2.gz AGLRHTYPMUMUDY-WFASDCNBSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H]1C[C@@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000052299641 177348691 /nfs/dbraw/zinc/34/86/91/177348691.db2.gz BCYDVSLBXBHITL-WPRPVWTQSA-N 1 0 234.324 1.197 10 30 BDEERO C[C@]1(C(=O)NCc2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062893969 177455209 /nfs/dbraw/zinc/45/52/09/177455209.db2.gz MNIOQDHUDKXRFP-AWEZNQCLSA-N 1 0 243.310 1.174 10 30 BDEERO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308241147 229224943 /nfs/dbraw/zinc/22/49/43/229224943.db2.gz ODSKDONSLLTDKZ-QWRGUYRKSA-N 1 0 230.315 1.944 10 30 BDEERO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)cc(C#N)n1 ZINC000308246446 229225278 /nfs/dbraw/zinc/22/52/78/229225278.db2.gz XAWZJCHKIHKSBQ-NSHDSACASA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N(C)CC(C)(C)C[NH3+])cc(C#N)n1 ZINC000308239087 229225722 /nfs/dbraw/zinc/22/57/22/229225722.db2.gz JESMQWYSEAKPJT-UHFFFAOYSA-N 1 0 232.331 1.683 10 30 BDEERO CC#CCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000185008251 487938372 /nfs/dbraw/zinc/93/83/72/487938372.db2.gz REMZEIZFIZOADP-UHFFFAOYSA-N 1 0 206.333 1.570 10 30 BDEERO C=CCC[C@@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000321428115 323616050 /nfs/dbraw/zinc/61/60/50/323616050.db2.gz LHOYLTFHUFJHMH-QWRGUYRKSA-N 1 0 215.337 1.310 10 30 BDEERO C#CCn1nc(C(F)(F)F)cc1CC[NH3+] ZINC000409442973 488047663 /nfs/dbraw/zinc/04/76/63/488047663.db2.gz DZOZEHGESJOZFD-UHFFFAOYSA-N 1 0 217.194 1.036 10 30 BDEERO C=C1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000382530576 487545862 /nfs/dbraw/zinc/54/58/62/487545862.db2.gz GYRLLMGYNCANMH-LLVKDONJSA-N 1 0 210.321 1.538 10 30 BDEERO CCCCCCCC(=O)NCCOCC[NH3+] ZINC000111208423 519962749 /nfs/dbraw/zinc/96/27/49/519962749.db2.gz HDMIPOHBKHITFS-UHFFFAOYSA-N 1 0 230.352 1.438 10 30 BDEERO C[NH2+]Cc1sc(C(=O)CC#N)nc1C ZINC000757127028 582501959 /nfs/dbraw/zinc/50/19/59/582501959.db2.gz XHOWQSMEXRFGBS-UHFFFAOYSA-N 1 0 209.274 1.267 10 30 BDEERO C[C@H](C[NH3+])CC(=O)Nc1ccc(C#N)cc1 ZINC000076609139 518182108 /nfs/dbraw/zinc/18/21/08/518182108.db2.gz GQVGRNYDFVTSIN-VIFPVBQESA-N 1 0 217.272 1.482 10 30 BDEERO C=C(C)C(=O)OCC[N+](C)(C)CCCC ZINC000114653389 518587648 /nfs/dbraw/zinc/58/76/48/518587648.db2.gz JPXHWNNFAMBRAS-UHFFFAOYSA-N 1 0 214.329 1.982 10 30 BDEERO C=CCCC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176986057 534603014 /nfs/dbraw/zinc/60/30/14/534603014.db2.gz AHMQISFXUWZVCL-GFCCVEGCSA-N 1 0 224.348 1.895 10 30 BDEERO C=CCNC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262143705 534843993 /nfs/dbraw/zinc/84/39/93/534843993.db2.gz QAXPTPSMJHEUFP-UHFFFAOYSA-N 1 0 235.253 1.809 10 30 BDEERO C=CCNC(=[NH2+])NCC(C)(C)c1ncccc1C ZINC000262385202 534843261 /nfs/dbraw/zinc/84/32/61/534843261.db2.gz PSDOXVUAWJFKPO-UHFFFAOYSA-N 1 0 246.358 1.758 10 30 BDEERO COC[C@@H](C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263283808 536520755 /nfs/dbraw/zinc/52/07/55/536520755.db2.gz SYWQIGFRNFJLLU-GHMZBOCLSA-N 1 0 239.363 1.648 10 30 BDEERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000336311448 535165353 /nfs/dbraw/zinc/16/53/53/535165353.db2.gz MZKWHVYSJQDYJU-GFCCVEGCSA-N 1 0 249.358 1.621 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000123949151 589868399 /nfs/dbraw/zinc/86/83/99/589868399.db2.gz PQZFXKRJYDFEJF-STQMWFEESA-N 1 0 249.358 1.671 10 30 BDEERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000300361792 592508903 /nfs/dbraw/zinc/50/89/03/592508903.db2.gz ARBOZNDYPHVVKU-KXNHARMFSA-N 1 0 208.305 1.836 10 30 BDEERO COC1CC([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000308925036 631746100 /nfs/dbraw/zinc/74/61/00/631746100.db2.gz HZYUSZUPTNQLLM-JYBOHDQNSA-N 1 0 208.305 1.836 10 30 BDEERO COC1CC([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000308925040 632460793 /nfs/dbraw/zinc/46/07/93/632460793.db2.gz HZYUSZUPTNQLLM-QKEWWQLBSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000310258121 632711604 /nfs/dbraw/zinc/71/16/04/632711604.db2.gz FVZHWMDBXNGUQK-MRVPVSSYSA-N 1 0 234.259 1.250 10 30 BDEERO N#Cc1ccc(F)cc1COC1C[NH2+]C1 ZINC000236194774 632894662 /nfs/dbraw/zinc/89/46/62/632894662.db2.gz OLNQGWJIGVELIW-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO N#CC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000309293021 632898596 /nfs/dbraw/zinc/89/85/96/632898596.db2.gz QSMNTCZGHFVFBK-CHWSQXEVSA-N 1 0 222.332 1.773 10 30 BDEERO C=CCCOCc1nc([C@@H](C)C[NH3+])no1 ZINC000309415258 633037428 /nfs/dbraw/zinc/03/74/28/633037428.db2.gz JDCWCWIDYUWCFM-QMMMGPOBSA-N 1 0 211.265 1.225 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1cc(C)nc(C#N)c1 ZINC000308237643 633217514 /nfs/dbraw/zinc/21/75/14/633217514.db2.gz FZAJIRGUZDKSFA-CYBMUJFWSA-N 1 0 244.342 1.840 10 30 BDEERO N#Cc1ccc(NCC2CC([NH3+])C2)cc1 ZINC000258676006 635185065 /nfs/dbraw/zinc/18/50/65/635185065.db2.gz OVUKFHAYOKZZBF-UHFFFAOYSA-N 1 0 201.273 1.707 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089386996 636907562 /nfs/dbraw/zinc/90/75/62/636907562.db2.gz ZINSLHITUOVJCP-QWHCGFSZSA-N 1 0 236.359 1.952 10 30 BDEERO C=C(Cl)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158798956 641650339 /nfs/dbraw/zinc/65/03/39/641650339.db2.gz LGVUEIIJXWGFLN-DTWKUNHWSA-N 1 0 216.712 1.230 10 30 BDEERO CCS(=O)(=O)CCN[C@H]1CCCC[C@H]1C#N ZINC000233840962 642701207 /nfs/dbraw/zinc/70/12/07/642701207.db2.gz YOVBQULMICAQOA-QWRGUYRKSA-N 1 0 244.360 1.093 10 30 BDEERO CCN(c1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000070901499 643081219 /nfs/dbraw/zinc/08/12/19/643081219.db2.gz HEPVNTBYFHVLQE-CYBMUJFWSA-N 1 0 215.300 1.746 10 30 BDEERO CCN(c1ccc(C#N)cn1)[C@H]1CC[NH2+]C1 ZINC000070901523 643082640 /nfs/dbraw/zinc/08/26/40/643082640.db2.gz ABRBCCKUBATLHJ-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO N#CCCCCN1CCC[C@]12CC[NH2+]C2 ZINC000757135572 643275382 /nfs/dbraw/zinc/27/53/82/643275382.db2.gz VNWXFCXEDICLOZ-GFCCVEGCSA-N 1 0 207.321 1.508 10 30 BDEERO CC(C)[C@@H]1CC[C@H](C)CC1N=NC(N)=[NH2+] ZINC000252446935 644849744 /nfs/dbraw/zinc/84/97/44/644849744.db2.gz DBXNCHLLSWWXSM-IUCAKERBSA-N 1 0 210.325 1.918 10 30 BDEERO CC(C)(C#N)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252881066 644919793 /nfs/dbraw/zinc/91/97/93/644919793.db2.gz ZONXZLMQGNHLLN-GMTAPVOTSA-N 1 0 222.332 1.939 10 30 BDEERO C#CC[C@H](COC)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000716957905 712600297 /nfs/dbraw/zinc/60/02/97/712600297.db2.gz NPRUJHGVCBVPAN-JHJVBQTASA-N 1 0 223.316 1.182 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(C#N)cn1 ZINC000723822184 711537663 /nfs/dbraw/zinc/53/76/63/711537663.db2.gz TZMXXSJKKQXMRV-KOLCDFICSA-N 1 0 216.288 1.221 10 30 BDEERO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 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/nfs/dbraw/zinc/15/74/43/181157443.db2.gz DRWPZZYIUDQSDB-MRVPVSSYSA-N 1 0 222.679 1.380 10 30 BDEERO N#Cc1ccnc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000051870999 181158109 /nfs/dbraw/zinc/15/81/09/181158109.db2.gz JPIRTSLEIPIFRT-LBPRGKRZSA-N 1 0 231.299 1.864 10 30 BDEERO N#Cc1ccsc1NC(=O)C1CC[NH2+]CC1 ZINC000040851923 181160121 /nfs/dbraw/zinc/16/01/21/181160121.db2.gz YEVKUXPOSMFPDE-UHFFFAOYSA-N 1 0 235.312 1.558 10 30 BDEERO N#Cc1ccsc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000040851932 181161589 /nfs/dbraw/zinc/16/15/89/181161589.db2.gz SDCVXHGFDZLOSH-VIFPVBQESA-N 1 0 235.312 1.700 10 30 BDEERO N#Cc1ncccc1C[NH2+]C[C@@H]1CCCO1 ZINC000061657124 181170470 /nfs/dbraw/zinc/17/04/70/181170470.db2.gz YWLVSORCNBTRPL-NSHDSACASA-N 1 0 217.272 1.222 10 30 BDEERO N#Cc1ncccc1CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000061659576 181170537 /nfs/dbraw/zinc/17/05/37/181170537.db2.gz PBKCCSJEBAKWPA-YHWZYXNKSA-N 1 0 242.326 1.407 10 30 BDEERO N#Cc1ncccc1COC[C@H]1CCC[NH2+]1 ZINC000061659437 181170794 /nfs/dbraw/zinc/17/07/94/181170794.db2.gz WGPUMHKOMCGWLN-LLVKDONJSA-N 1 0 217.272 1.222 10 30 BDEERO C=C(Br)CN1CC[C@](C)([NH3+])C1 ZINC000405759280 355216617 /nfs/dbraw/zinc/21/66/17/355216617.db2.gz FXKKIBIYESINBX-QMMMGPOBSA-N 1 0 219.126 1.318 10 30 BDEERO NC(=[NH2+])NN=Cc1ccccc1OC(F)F ZINC000003224490 181187778 /nfs/dbraw/zinc/18/77/78/181187778.db2.gz UNYUBBYZANTKSE-LHHJGKSTSA-N 1 0 228.202 1.105 10 30 BDEERO NC(=[NH2+])NN=Cc1c(Cl)cc(O)cc1Cl ZINC000065742896 181188413 /nfs/dbraw/zinc/18/84/13/181188413.db2.gz QRZKXEGHKZWKKZ-QLKAYGNNSA-N 1 0 247.085 1.516 10 30 in-vitro BDEERO CC(C)C[C@@H](C[NH3+])Nc1cc(C#N)ccn1 ZINC000084736991 355514616 /nfs/dbraw/zinc/51/46/16/355514616.db2.gz VQPHXOJJIWGMSR-NSHDSACASA-N 1 0 218.304 1.739 10 30 BDEERO C=C(Br)CN1CCC[NH2+][C@@H](C)C1 ZINC000168394388 355769340 /nfs/dbraw/zinc/76/93/40/355769340.db2.gz FHCHJCQPFKFCQM-VIFPVBQESA-N 1 0 233.153 1.579 10 30 BDEERO C=C(Br)CN1CCC[NH2+]C(C)(C)C1 ZINC000168394728 355769386 /nfs/dbraw/zinc/76/93/86/355769386.db2.gz UUMCQHUYYIHRNR-UHFFFAOYSA-N 1 0 247.180 1.969 10 30 BDEERO CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCOC1 ZINC000160289409 355850028 /nfs/dbraw/zinc/85/00/28/355850028.db2.gz LTFRYSZZCFZEMU-UPJWGTAASA-N 1 0 238.331 1.464 10 30 BDEERO N[NH+]=C(N)Cc1ccccc1Br ZINC000055335813 355972416 /nfs/dbraw/zinc/97/24/16/355972416.db2.gz KWKKYLRGNKIURT-UHFFFAOYSA-N 1 0 228.093 1.223 10 30 BDEERO CCC[NH+]1CCC2(CC1)OCC[C@@H]2C#N ZINC000675079269 538517215 /nfs/dbraw/zinc/51/72/15/538517215.db2.gz BRMASWYBOPKQPA-LLVKDONJSA-N 1 0 208.305 1.791 10 30 BDEERO C[C@H]1[C@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000384843781 356770679 /nfs/dbraw/zinc/77/06/79/356770679.db2.gz AGDIDBWMSCFWBX-WDEREUQCSA-N 1 0 208.305 1.525 10 30 BDEERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000384843780 356770862 /nfs/dbraw/zinc/77/08/62/356770862.db2.gz AGDIDBWMSCFWBX-QWRGUYRKSA-N 1 0 208.305 1.525 10 30 BDEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)cn1 ZINC000129893624 357026659 /nfs/dbraw/zinc/02/66/59/357026659.db2.gz FAWAUCGZRPBNPI-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO C=CCCCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000193457317 357928471 /nfs/dbraw/zinc/92/84/71/357928471.db2.gz KIIBYUMXRQGPOI-NEPJUHHUSA-N 1 0 213.321 1.160 10 30 BDEERO CCN(CC)C(=[NH2+])NCc1ccc2cc[nH]c2n1 ZINC000262352439 535389577 /nfs/dbraw/zinc/38/95/77/535389577.db2.gz GFKXJLOJNJTGDB-UHFFFAOYSA-N 1 0 245.330 1.719 10 30 BDEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000171740572 134260455 /nfs/dbraw/zinc/26/04/55/134260455.db2.gz FLBMVGBOCYWAOH-PWSUYJOCSA-N 1 0 237.347 1.344 10 30 BDEERO C=CC[NH2+]C[C@@H](O)[C@@H]1CCc2ccccc2O1 ZINC000584626617 358295891 /nfs/dbraw/zinc/29/58/91/358295891.db2.gz VUNDEVOKFIWHHG-OCCSQVGLSA-N 1 0 233.311 1.517 10 30 BDEERO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000584636479 358321041 /nfs/dbraw/zinc/32/10/41/358321041.db2.gz QIQVOKMZYPVBFL-KBPBESRZSA-N 1 0 230.311 1.783 10 30 BDEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)C#N ZINC000044825891 358556617 /nfs/dbraw/zinc/55/66/17/358556617.db2.gz GWAJNFHKVGCZQX-WDEREUQCSA-N 1 0 225.336 1.239 10 30 BDEERO CN1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135176777 358823296 /nfs/dbraw/zinc/82/32/96/358823296.db2.gz VSVJHQRJYFHIMN-LBPRGKRZSA-N 1 0 239.363 1.237 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000136275395 358871245 /nfs/dbraw/zinc/87/12/45/358871245.db2.gz HLPNFMPGLBUWLR-OUCADQQQSA-N 1 0 249.358 1.621 10 30 BDEERO C=CC[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000247059061 359191691 /nfs/dbraw/zinc/19/16/91/359191691.db2.gz JZCGPYJWWDBAIR-NEPJUHHUSA-N 1 0 239.363 1.735 10 30 BDEERO C=CCC[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247567416 359235177 /nfs/dbraw/zinc/23/51/77/359235177.db2.gz SCNDFLYSXSZWQD-IHRRRGAJSA-N 1 0 238.375 1.482 10 30 BDEERO [NH3+]CC#Cc1cc(F)c(F)cc1Cl ZINC000231299968 359706894 /nfs/dbraw/zinc/70/68/94/359706894.db2.gz PFQVCNAPMAVPMY-UHFFFAOYSA-N 1 0 201.603 1.928 10 30 BDEERO CN/C(=[NH+]\C)S[C@@H]1CCCC[C@@H]1O ZINC000306519094 360346419 /nfs/dbraw/zinc/34/64/19/360346419.db2.gz IAXKLJUCSRUIHR-JGVFFNPUSA-N 1 0 202.323 1.228 10 30 BDEERO CCN(O)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000306581462 360478730 /nfs/dbraw/zinc/47/87/30/360478730.db2.gz OQLOLACIGGEJIB-MRVPVSSYSA-N 1 0 200.282 1.002 10 30 BDEERO N#Cc1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000138604486 360991798 /nfs/dbraw/zinc/99/17/98/360991798.db2.gz XLGZYTNMYXMQPW-UHFFFAOYSA-N 1 0 216.162 1.916 10 30 BDEERO C[C@@H]1C[N@H+](CC2(C=O)CCCC2)C[C@@H]1O ZINC000306628091 361298406 /nfs/dbraw/zinc/29/84/06/361298406.db2.gz JGNUEQLENRYODH-MNOVXSKESA-N 1 0 211.305 1.058 10 30 BDEERO C=C(C)C[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000309935985 491158541 /nfs/dbraw/zinc/15/85/41/491158541.db2.gz ZULYZVDVRHSTFG-CYBMUJFWSA-N 1 0 221.300 1.894 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1C(=O)NCC1CC1 ZINC000037569993 181346247 /nfs/dbraw/zinc/34/62/47/181346247.db2.gz PVSWAGHSEBHYPD-UHFFFAOYSA-N 1 0 246.285 1.276 10 30 BDEERO [NH3+]CC#Cc1cccc(Cn2cccn2)c1 ZINC000049610055 181345897 /nfs/dbraw/zinc/34/58/97/181345897.db2.gz QHWJWGGSGAVFBR-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO [NH3+]CC#Cc1cccc(CNC(=O)CC2CC2)c1 ZINC000049731617 181346912 /nfs/dbraw/zinc/34/69/12/181346912.db2.gz PFXHMFIHZWXOFC-UHFFFAOYSA-N 1 0 242.322 1.413 10 30 BDEERO CCN(CC[NH3+])c1ccc(C#N)cc1[N+](=O)[O-] ZINC000122818509 363839968 /nfs/dbraw/zinc/83/99/68/363839968.db2.gz RDYBUFOFVOSRIE-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C=C(F)[C@]1(CC(=O)OC)C[NH+]2CCC1CC2 ZINC000725260217 541334855 /nfs/dbraw/zinc/33/48/55/541334855.db2.gz PHDWKRFILFEGHR-LBPRGKRZSA-N 1 0 227.279 1.745 10 30 BDEERO C=CCN(c1cccnc1)C1CC[NH2+]CC1 ZINC000080651854 370806348 /nfs/dbraw/zinc/80/63/48/370806348.db2.gz PFKJHZKEPFGUJQ-UHFFFAOYSA-N 1 0 217.316 1.826 10 30 BDEERO N#Cc1ncccc1NC[C@H]1CCCC[NH2+]1 ZINC000131037605 370861508 /nfs/dbraw/zinc/86/15/08/370861508.db2.gz UYIIUOJZHLYOJY-SNVBAGLBSA-N 1 0 216.288 1.507 10 30 BDEERO C=C1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000382575018 367543821 /nfs/dbraw/zinc/54/38/21/367543821.db2.gz CFPDOYRBQWHNDJ-LBPRGKRZSA-N 1 0 222.332 1.555 10 30 BDEERO CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000106880734 369214060 /nfs/dbraw/zinc/21/40/60/369214060.db2.gz GVYREYADAGWJNV-LBPRGKRZSA-N 1 0 202.257 1.561 10 30 BDEERO CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000106880736 369214544 /nfs/dbraw/zinc/21/45/44/369214544.db2.gz GVYREYADAGWJNV-GFCCVEGCSA-N 1 0 202.257 1.561 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1[NH3+] ZINC000123047621 369271798 /nfs/dbraw/zinc/27/17/98/369271798.db2.gz DJLQWUZHCZLPPD-NEPJUHHUSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CC[C@@H](Nc2cccnc2C#N)C[NH2+]1 ZINC000600954641 369576503 /nfs/dbraw/zinc/57/65/03/369576503.db2.gz FSUXCHAMZXSWDU-VHSXEESVSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1ccnc(NCCOCCC[NH3+])c1C#N ZINC000600955044 369578593 /nfs/dbraw/zinc/57/85/93/369578593.db2.gz IWCKWCKSDAIDJK-UHFFFAOYSA-N 1 0 234.303 1.039 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1cccc(F)c1C#N ZINC000600962522 369579545 /nfs/dbraw/zinc/57/95/45/369579545.db2.gz FRRADQGHWQXZGB-BDAKNGLRSA-N 1 0 219.263 1.623 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000600962713 369579577 /nfs/dbraw/zinc/57/95/77/369579577.db2.gz KGMXNWGYRPJBRA-MWLCHTKSSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000600963528 369580380 /nfs/dbraw/zinc/58/03/80/369580380.db2.gz XCCBGYSMUCYMRJ-PSASIEDQSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000600960497 369582490 /nfs/dbraw/zinc/58/24/90/369582490.db2.gz DGVRXOTUMLOOPE-ONGXEEELSA-N 1 0 233.290 1.728 10 30 BDEERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)cc(C#N)n1 ZINC000308240692 370114698 /nfs/dbraw/zinc/11/46/98/370114698.db2.gz OCAUNZJLLKRUKI-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(NCC2CC[NH2+]CC2)cc(C#N)n1 ZINC000308237610 370114940 /nfs/dbraw/zinc/11/49/40/370114940.db2.gz HPCZNWNLLCZAFH-UHFFFAOYSA-N 1 0 230.315 1.673 10 30 BDEERO COC[C@H](C)[NH2+]CCCSCC#N ZINC000308262201 370117460 /nfs/dbraw/zinc/11/74/60/370117460.db2.gz NEVPOWBMQARZMB-VIFPVBQESA-N 1 0 202.323 1.258 10 30 BDEERO CC[C@@H]1CN(c2cc(C#N)cc(C)n2)CC[C@H]1[NH3+] ZINC000253117294 370148089 /nfs/dbraw/zinc/14/80/89/370148089.db2.gz GMHCZDJLEQAPQU-CHWSQXEVSA-N 1 0 244.342 1.825 10 30 BDEERO N#Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000310368258 370340014 /nfs/dbraw/zinc/34/00/14/370340014.db2.gz MWAKQIKOMIWPNC-MWLCHTKSSA-N 1 0 231.303 1.278 10 30 BDEERO Cc1ccc(C#N)c(NC[C@H]([NH3+])C(C)C)n1 ZINC000070010799 371002753 /nfs/dbraw/zinc/00/27/53/371002753.db2.gz FSPJSYCASMJBNL-NSHDSACASA-N 1 0 218.304 1.657 10 30 BDEERO C#C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000131758219 371667912 /nfs/dbraw/zinc/66/79/12/371667912.db2.gz CQDWRUQHIAXHNZ-AWEZNQCLSA-N 1 0 215.296 1.647 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131800663 371678565 /nfs/dbraw/zinc/67/85/65/371678565.db2.gz ICRYUSHLORHQDA-NSHDSACASA-N 1 0 248.286 1.862 10 30 BDEERO C#CC[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228114459 371993283 /nfs/dbraw/zinc/99/32/83/371993283.db2.gz GHKMNUVWDLTRQT-VGMNWLOBSA-N 1 0 201.360 1.574 10 30 BDEERO Cc1cc(Br)cc(C(N)=[NH+]N)c1 ZINC000163594619 372017531 /nfs/dbraw/zinc/01/75/31/372017531.db2.gz LGCCYQUABKGTPM-UHFFFAOYSA-N 1 0 228.093 1.337 10 30 BDEERO C=C(C(F)(F)F)[C@@]1(O)CC[NH2+]C[C@@H]1C ZINC000306503942 372029267 /nfs/dbraw/zinc/02/92/67/372029267.db2.gz XZASNYKLRHJUIP-POYBYMJQSA-N 1 0 209.211 1.465 10 30 BDEERO CCC[NH+](CCC)CCC/C(N)=N/O ZINC000019511026 169148005 /nfs/dbraw/zinc/14/80/05/169148005.db2.gz LKXNQXPNGVDUAU-UHFFFAOYSA-N 1 0 201.314 1.635 10 30 BDEERO CCCNC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049587499 169237613 /nfs/dbraw/zinc/23/76/13/169237613.db2.gz XEHPABGVOAVFJX-UHFFFAOYSA-N 1 0 245.326 1.206 10 30 BDEERO CCCN[C@H](C#N)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000062368919 169284536 /nfs/dbraw/zinc/28/45/36/169284536.db2.gz ZAVDUUQOYDYXSW-UPJWGTAASA-N 1 0 239.363 1.377 10 30 BDEERO CCC[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000042874735 169266739 /nfs/dbraw/zinc/26/67/39/169266739.db2.gz HHRBKOAQMLGIKL-UHFFFAOYSA-N 1 0 248.282 1.817 10 30 BDEERO CC(C)(C)OC(=O)[C@H](C=O)[C@H]([NH3+])C(C)(C)C ZINC000091368766 384122873 /nfs/dbraw/zinc/12/28/73/384122873.db2.gz SQPCRWIJGQALTK-BDAKNGLRSA-N 1 0 229.320 1.517 10 30 BDEERO CC(C)(C)OC(=O)[C@@H](C=O)[C@H]([NH3+])C(C)(C)C ZINC000091368773 384122936 /nfs/dbraw/zinc/12/29/36/384122936.db2.gz SQPCRWIJGQALTK-IUCAKERBSA-N 1 0 229.320 1.517 10 30 BDEERO C[C@@H](CC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000336787408 384276512 /nfs/dbraw/zinc/27/65/12/384276512.db2.gz DWTZGUCEBWACGJ-JTQLQIEISA-N 1 0 240.310 1.678 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000094460883 384299642 /nfs/dbraw/zinc/29/96/42/384299642.db2.gz AQOCRAHWRWIYDA-CYBMUJFWSA-N 1 0 228.299 1.238 10 30 BDEERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000310557097 384409389 /nfs/dbraw/zinc/40/93/89/384409389.db2.gz YVXIULHKCDCYQN-QMMMGPOBSA-N 1 0 234.259 1.473 10 30 BDEERO C#CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086929631 533058560 /nfs/dbraw/zinc/05/85/60/533058560.db2.gz IDNLSZMKGIEZBL-QWHCGFSZSA-N 1 0 206.333 1.568 10 30 BDEERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000300865069 384615253 /nfs/dbraw/zinc/61/52/53/384615253.db2.gz ONUUFHOQOGJCEE-RHYQMDGZSA-N 1 0 208.305 1.693 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000071140002 384653191 /nfs/dbraw/zinc/65/31/91/384653191.db2.gz RESKUPPWVZYWRR-ZDUSSCGKSA-N 1 0 243.310 1.334 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000071140019 384655466 /nfs/dbraw/zinc/65/54/66/384655466.db2.gz VYYICPODOPVSMZ-LLVKDONJSA-N 1 0 233.290 1.838 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccc1C#N ZINC000083550683 384703411 /nfs/dbraw/zinc/70/34/11/384703411.db2.gz WVDAVORJHCZPSB-WCQYABFASA-N 1 0 242.326 1.626 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1cnccc1C#N ZINC000320707567 384834978 /nfs/dbraw/zinc/83/49/78/384834978.db2.gz PDWSWFSHNYSPNT-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO C=C(C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309081927 385400842 /nfs/dbraw/zinc/40/08/42/385400842.db2.gz QYKCSYLIRMKCHZ-PWSUYJOCSA-N 1 0 208.305 1.209 10 30 BDEERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C#N)n1 ZINC000308237026 385409580 /nfs/dbraw/zinc/40/95/80/385409580.db2.gz DQWLPMMJYQEUKJ-BPNCWPANSA-N 1 0 242.326 1.435 10 30 BDEERO C[NH+]1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000054824962 385665677 /nfs/dbraw/zinc/66/56/77/385665677.db2.gz QWVZBXKWRXAFFB-PWSUYJOCSA-N 1 0 207.321 1.362 10 30 BDEERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)c(C#N)cn1 ZINC000399082637 386198105 /nfs/dbraw/zinc/19/81/05/386198105.db2.gz QEHZMOXLIGZYEJ-VIFPVBQESA-N 1 0 240.257 1.078 10 30 BDEERO C=C(Br)CN1C[C@H]([NH3+])C[C@H]1C ZINC000575592180 386341571 /nfs/dbraw/zinc/34/15/71/386341571.db2.gz ZFJCINXGSNPDNP-HTQZYQBOSA-N 1 0 219.126 1.317 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000399196145 386411473 /nfs/dbraw/zinc/41/14/73/386411473.db2.gz LSQIHBZEYPTNLN-SMDDNHRTSA-N 1 0 230.311 1.903 10 30 BDEERO C=CCSCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000123911148 386578535 /nfs/dbraw/zinc/57/85/35/386578535.db2.gz DXXHOGPQVDWGER-NSHDSACASA-N 1 0 244.404 1.752 10 30 BDEERO C=CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000019875963 386784182 /nfs/dbraw/zinc/78/41/82/386784182.db2.gz RZTGMTPHUZNJJG-SNVBAGLBSA-N 1 0 239.340 1.927 10 30 BDEERO C[C@H](CCC[NH3+])Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000336793071 387158135 /nfs/dbraw/zinc/15/81/35/387158135.db2.gz VIIHBQVAEHFUJK-MRVPVSSYSA-N 1 0 249.274 1.401 10 30 BDEERO C=C(Br)CN1C[C@H]([NH3+])CC[C@@H]1C ZINC000575481791 387179837 /nfs/dbraw/zinc/17/98/37/387179837.db2.gz PTZWVDGVAREJNT-DTWKUNHWSA-N 1 0 233.153 1.707 10 30 BDEERO CCC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)[NH+](C)C ZINC000161631666 387242996 /nfs/dbraw/zinc/24/29/96/387242996.db2.gz AOGDIQXOSMEFKU-RYUDHWBXSA-N 1 0 239.363 1.725 10 30 BDEERO N#Cc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094460877 387278466 /nfs/dbraw/zinc/27/84/66/387278466.db2.gz PPJQMLBGJVQRHA-GFCCVEGCSA-N 1 0 228.299 1.238 10 30 BDEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246132343 388012997 /nfs/dbraw/zinc/01/29/97/388012997.db2.gz MNHYYPPTKNHMKY-VHSXEESVSA-N 1 0 228.361 1.114 10 30 BDEERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000056958586 388614193 /nfs/dbraw/zinc/61/41/93/388614193.db2.gz ZDBJRAVHOPFWTB-VXGBXAGGSA-N 1 0 230.267 1.034 10 30 BDEERO C[NH2+][C@@H](C)CNc1cc(C)nc(C#N)c1 ZINC000308236518 388658249 /nfs/dbraw/zinc/65/82/49/388658249.db2.gz CQPUJEGRDNBVMZ-VIFPVBQESA-N 1 0 204.277 1.282 10 30 BDEERO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)cc(C#N)n1 ZINC000308238325 388658549 /nfs/dbraw/zinc/65/85/49/388658549.db2.gz IHPQTFIWOYTNDA-UFBFGSQYSA-N 1 0 216.288 1.045 10 30 BDEERO C[C@@H]([NH3+])CCNC(=O)Nc1cccc(C#N)c1 ZINC000063170775 388659569 /nfs/dbraw/zinc/65/95/69/388659569.db2.gz USDQLHMYTQLLBI-SECBINFHSA-N 1 0 232.287 1.417 10 30 BDEERO N#Cc1ccnc([S@@](=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000095073588 388757597 /nfs/dbraw/zinc/75/75/97/388757597.db2.gz DQSIVRWOUGUCMW-PIGZYNQJSA-N 1 0 249.339 1.060 10 30 BDEERO N#Cc1cc(C[N@H+]2CCC[C@H]2CCCO)ccn1 ZINC000068760608 388717156 /nfs/dbraw/zinc/71/71/56/388717156.db2.gz OHURWOHJMCCYMW-AWEZNQCLSA-N 1 0 245.326 1.690 10 30 BDEERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123625960 388733558 /nfs/dbraw/zinc/73/35/58/388733558.db2.gz ATPWIELURRZVOL-SKDRFNHKSA-N 1 0 226.283 1.704 10 30 BDEERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095075928 388758589 /nfs/dbraw/zinc/75/85/89/388758589.db2.gz DBJSFVMTFWAVNW-ZIAGYGMSSA-N 1 0 230.311 1.725 10 30 BDEERO N#Cc1cccnc1N1CCC[C@@H](C[NH3+])C1 ZINC000044532069 132354234 /nfs/dbraw/zinc/35/42/34/132354234.db2.gz PRABZYOVZKULKP-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO C#C[C@@]1(O)C[C@@H](C)[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000263584280 533277719 /nfs/dbraw/zinc/27/77/19/533277719.db2.gz OMBITJGEGMMNIO-MROQNXINSA-N 1 0 207.317 1.634 10 30 BDEERO C=C(C)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177223075 533511818 /nfs/dbraw/zinc/51/18/18/533511818.db2.gz TYPLBJMMKPVTOO-OLZOCXBDSA-N 1 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10 30 BDEERO Cc1nc(C[C@@H]2CCC[N@H+](CCCC#N)C2)no1 ZINC000195517954 134844634 /nfs/dbraw/zinc/84/46/34/134844634.db2.gz GSROWIDYPPMSKB-LBPRGKRZSA-N 1 0 248.330 1.936 10 30 BDEERO CC#CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248393648 135001910 /nfs/dbraw/zinc/00/19/10/135001910.db2.gz LZHNEUXAIMEYFK-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO CC[N@H+](C[C@H](C)C#N)C[C@H](C)C(=O)OC ZINC000249930268 135046958 /nfs/dbraw/zinc/04/69/58/135046958.db2.gz DKIFMPLWRZZBHI-ZJUUUORDSA-N 1 0 212.293 1.277 10 30 BDEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@@H]1C(F)F ZINC000263183810 135125186 /nfs/dbraw/zinc/12/51/86/135125186.db2.gz WHDXLJSMAJPWFY-YUMQZZPRSA-N 1 0 217.263 1.344 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263173090 135125368 /nfs/dbraw/zinc/12/53/68/135125368.db2.gz SBYVXWZIMZIHAD-BQBZGAKWSA-N 1 0 203.236 1.120 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261589767 135230184 /nfs/dbraw/zinc/23/01/84/135230184.db2.gz WMMHKECWZQESEG-LBPRGKRZSA-N 1 0 244.342 1.825 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCO[C@@H]1C(C)C ZINC000261640293 135242805 /nfs/dbraw/zinc/24/28/05/135242805.db2.gz KWVXHVZHTFXIHS-QJPTWQEYSA-N 1 0 241.379 1.750 10 30 BDEERO C=CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000261932383 135264430 /nfs/dbraw/zinc/26/44/30/135264430.db2.gz BOINCIXWNIQHAA-NWDGAFQWSA-N 1 0 238.379 1.066 10 30 BDEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262031764 135274814 /nfs/dbraw/zinc/27/48/14/135274814.db2.gz XMNUQJDEZFDTGA-UTUOFQBUSA-N 1 0 244.766 1.486 10 30 BDEERO C=CCN(Cc1ccccc1F)C(=O)C1C[NH2+]C1 ZINC000262211163 135290585 /nfs/dbraw/zinc/29/05/85/135290585.db2.gz IWEDBPPGGXYYGX-UHFFFAOYSA-N 1 0 248.301 1.560 10 30 BDEERO [NH2+]=C(NCC1(C(F)F)CC1)NC1CC1 ZINC000262404425 135295698 /nfs/dbraw/zinc/29/56/98/135295698.db2.gz RMFLLUPQWBFZGF-UHFFFAOYSA-N 1 0 203.236 1.098 10 30 BDEERO CCC[C@H]1C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000262386474 135298891 /nfs/dbraw/zinc/29/88/91/135298891.db2.gz HUQIDVFVJBYDRJ-VHSXEESVSA-N 1 0 227.377 1.539 10 30 BDEERO CC(C)c1nnc(CNC(=[NH2+])NC2CC2)s1 ZINC000262467956 135300995 /nfs/dbraw/zinc/30/09/95/135300995.db2.gz YPRTXOLTHWEDDC-UHFFFAOYSA-N 1 0 239.348 1.228 10 30 BDEERO C[C@@H](CNC(=[NH2+])NCC1CCC1)C(F)(F)F ZINC000262533267 135304627 /nfs/dbraw/zinc/30/46/27/135304627.db2.gz PZKIAENLRHFUDY-ZETCQYMHSA-N 1 0 237.269 1.889 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262532749 135305013 /nfs/dbraw/zinc/30/50/13/135305013.db2.gz OHFHUDWMXYFKRK-OIBJUYFYSA-N 1 0 239.269 1.697 10 30 BDEERO CC(C)[C@H]1OCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262546191 135305302 /nfs/dbraw/zinc/30/53/02/135305302.db2.gz VKTSXPGMBWKMPS-NWDGAFQWSA-N 1 0 241.379 1.527 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262643683 135310946 /nfs/dbraw/zinc/31/09/46/135310946.db2.gz HXTQCUOHDBOZRJ-LLVKDONJSA-N 1 0 231.299 1.601 10 30 BDEERO [NH2+]=C(NC[C@@H]1CCCC(=O)N1)Nc1ccccc1 ZINC000262751630 135316114 /nfs/dbraw/zinc/31/61/14/135316114.db2.gz KAEFBMXSCAKEAO-NSHDSACASA-N 1 0 246.314 1.082 10 30 BDEERO [NH2+]=C(Nc1ccccn1)N[C@H]1C[C@@H]1C(F)F ZINC000262803674 135319020 /nfs/dbraw/zinc/31/90/20/135319020.db2.gz MZPFMXANZHAIKG-BQBZGAKWSA-N 1 0 226.230 1.462 10 30 BDEERO C[NH+]=C(NCC1CCC1)NC[C@@H]1CCCCO1 ZINC000262984754 135325806 /nfs/dbraw/zinc/32/58/06/135325806.db2.gz UQWRNPFRNABAAR-LBPRGKRZSA-N 1 0 239.363 1.521 10 30 BDEERO CN1CC[NH+]=C1NCC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263038510 135328640 /nfs/dbraw/zinc/32/86/40/135328640.db2.gz CCIRQAOFJNWBBM-WOPDTQHZSA-N 1 0 219.332 1.480 10 30 BDEERO CN1CC[NH+]=C1NCc1ccc(C#N)s1 ZINC000263056299 135329457 /nfs/dbraw/zinc/32/94/57/135329457.db2.gz FAOAIRLSKCIGDR-UHFFFAOYSA-N 1 0 220.301 1.011 10 30 BDEERO CN1CCC[NH+]=C1NC[C@H]1CC12CCOCC2 ZINC000263052882 135330107 /nfs/dbraw/zinc/33/01/07/135330107.db2.gz DPNXSAXAQMBPOH-LLVKDONJSA-N 1 0 237.347 1.084 10 30 BDEERO [NH2+]=C(NC1CCC1)N[C@H]1COc2ccccc21 ZINC000263065524 135330325 /nfs/dbraw/zinc/33/03/25/135330325.db2.gz GCYXGVGZQSBKEP-NSHDSACASA-N 1 0 231.299 1.577 10 30 BDEERO C[C@H](CNC(=[NH2+])NC1CCC1)C(F)(F)F ZINC000263064077 135330392 /nfs/dbraw/zinc/33/03/92/135330392.db2.gz FWRYJCMSJHRAKA-ZCFIWIBFSA-N 1 0 223.242 1.642 10 30 BDEERO C[C@H]1CN(C(=[NH2+])N[C@H]2CCC2(C)C)CCO1 ZINC000263140079 135334633 /nfs/dbraw/zinc/33/46/33/135334633.db2.gz JJQOBWJXICCHGL-UWVGGRQHSA-N 1 0 225.336 1.210 10 30 BDEERO C[C@@H]1C[C@@H](CNC(=[NH2+])N2CCC2)C[C@H](C)O1 ZINC000263175059 135337020 /nfs/dbraw/zinc/33/70/20/135337020.db2.gz SPRYNDOGWYHGSS-JGPRNRPPSA-N 1 0 225.336 1.210 10 30 BDEERO C=CCNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263286170 135344648 /nfs/dbraw/zinc/34/46/48/135344648.db2.gz URRUOIYRTRQGJP-JTQLQIEISA-N 1 0 207.321 1.800 10 30 BDEERO C[C@H](CCC[NH3+])Nc1cnccc1C#N ZINC000336717108 397949358 /nfs/dbraw/zinc/94/93/58/397949358.db2.gz XTWWGQTUONKQED-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO Cn1cncc1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000401851075 397984736 /nfs/dbraw/zinc/98/47/36/397984736.db2.gz SQHUGXPVDCVQBT-PWSUYJOCSA-N 1 0 218.304 1.244 10 30 BDEERO C#CC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260749 166108254 /nfs/dbraw/zinc/10/82/54/166108254.db2.gz JESGGWRVMBFEQD-NSHDSACASA-N 1 0 220.316 1.191 10 30 BDEERO C#CC(=O)Nc1ccccc1C[NH2+]CC ZINC000036281546 166108853 /nfs/dbraw/zinc/10/88/53/166108853.db2.gz AOIAQOUFHOAPBN-UHFFFAOYSA-N 1 0 202.257 1.368 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913213 166161663 /nfs/dbraw/zinc/16/16/63/166161663.db2.gz LNBLXTCAPJHGBK-NSHDSACASA-N 1 0 231.295 1.520 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1cc(Br)cn1 ZINC000053538359 166187541 /nfs/dbraw/zinc/18/75/41/166187541.db2.gz JLWRYDCQTGHSQL-MRVPVSSYSA-N 1 0 242.120 1.429 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019875534 166190109 /nfs/dbraw/zinc/19/01/09/166190109.db2.gz HZYSGUMMHIUHRD-JTQLQIEISA-N 1 0 217.268 1.742 10 30 BDEERO C#CCOc1cc2c(cc1C[C@@H]([NH3+])CC)OCO2 ZINC000042878818 166197869 /nfs/dbraw/zinc/19/78/69/166197869.db2.gz UJKVDIHSCZAGSR-NSHDSACASA-N 1 0 247.294 1.707 10 30 BDEERO C#CCOc1ccc(C[NH2+]CCO)cc1OCC ZINC000045945551 166198783 /nfs/dbraw/zinc/19/87/83/166198783.db2.gz JSLGSEZEYBPURD-UHFFFAOYSA-N 1 0 249.310 1.179 10 30 BDEERO C=CCN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000062895871 166311233 /nfs/dbraw/zinc/31/12/33/166311233.db2.gz PSBWNUBBLBZSNZ-AWEZNQCLSA-N 1 0 236.359 1.943 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccco1 ZINC000076584415 166371786 /nfs/dbraw/zinc/37/17/86/166371786.db2.gz DYMSNYQTJUZJTL-VIFPVBQESA-N 1 0 208.261 1.014 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035124221 166388788 /nfs/dbraw/zinc/38/87/88/166388788.db2.gz NTJXLVGUZYNLGT-QWRGUYRKSA-N 1 0 233.315 1.423 10 30 BDEERO C=CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000083371658 166390756 /nfs/dbraw/zinc/39/07/56/166390756.db2.gz GRZDYHDXIGBQFM-GFCCVEGCSA-N 1 0 243.310 1.340 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000020033674 166399295 /nfs/dbraw/zinc/39/92/95/166399295.db2.gz KKZURXCKCPGYDZ-UHFFFAOYSA-N 1 0 220.272 1.409 10 30 BDEERO C=CC[NH2+]CC(=O)N[C@H](C)CCc1ccccc1 ZINC000095081778 166399843 /nfs/dbraw/zinc/39/98/43/166399843.db2.gz DISSJOQVEKGSGN-CYBMUJFWSA-N 1 0 246.354 1.900 10 30 BDEERO CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037822594 166952998 /nfs/dbraw/zinc/95/29/98/166952998.db2.gz UOTFIMBJDIDFLD-GFCCVEGCSA-N 1 0 237.347 1.384 10 30 BDEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000160467045 167029867 /nfs/dbraw/zinc/02/98/67/167029867.db2.gz HTJHJQODSWXIHV-PWSUYJOCSA-N 1 0 245.330 1.489 10 30 BDEERO CC(C)[NH2+]CC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980653 167095094 /nfs/dbraw/zinc/09/50/94/167095094.db2.gz YGNOCSXSKOGDBH-UHFFFAOYSA-N 1 0 231.299 1.519 10 30 BDEERO CC(C)[NH2+]C[C@@H](O)CN(C)c1ccc(C#N)cc1 ZINC000061950810 167111598 /nfs/dbraw/zinc/11/15/98/167111598.db2.gz HIWXLNCQNWZGFJ-CQSZACIVSA-N 1 0 247.342 1.353 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)NCCC[NH+]1CCCC1 ZINC000062079317 167340892 /nfs/dbraw/zinc/34/08/92/167340892.db2.gz FIGJEPNLFKZJKR-GFCCVEGCSA-N 1 0 237.347 1.384 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063053015 167340912 /nfs/dbraw/zinc/34/09/12/167340912.db2.gz HYGLJRFXPNSPAS-GFCCVEGCSA-N 1 0 237.347 1.336 10 30 BDEERO CC(C)[C@@H](C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629473 167381034 /nfs/dbraw/zinc/38/10/34/167381034.db2.gz KNBPQMJBUVWLSC-LLVKDONJSA-N 1 0 245.326 1.166 10 30 BDEERO CC(C)[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037571778 167381155 /nfs/dbraw/zinc/38/11/55/167381155.db2.gz SYFUTNYPSCSZGQ-GFCCVEGCSA-N 1 0 244.338 1.771 10 30 BDEERO CC(C)[C@@H](C[NH+](C)C)Nc1ncccc1C#N ZINC000049218928 167395045 /nfs/dbraw/zinc/39/50/45/167395045.db2.gz MCYGNWCYFYLYEN-GFCCVEGCSA-N 1 0 232.331 1.951 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cccnc1C#N ZINC000133580595 411185893 /nfs/dbraw/zinc/18/58/93/411185893.db2.gz UHVIRHNWMXPIJX-LLVKDONJSA-N 1 0 232.331 1.763 10 30 BDEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659330687 411395412 /nfs/dbraw/zinc/39/54/12/411395412.db2.gz ZOQREKRJKBXNAO-JHJVBQTASA-N 1 0 236.359 1.847 10 30 BDEERO CCNC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587407 170082750 /nfs/dbraw/zinc/08/27/50/170082750.db2.gz IPGJTNIPOUFKSW-LLVKDONJSA-N 1 0 245.326 1.377 10 30 BDEERO CCNC(=O)Nc1ccccc1C#CC[NH3+] ZINC000037471289 170085235 /nfs/dbraw/zinc/08/52/35/170085235.db2.gz WSPQRKAICOOIIZ-UHFFFAOYSA-N 1 0 217.272 1.138 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061890396 170107914 /nfs/dbraw/zinc/10/79/14/170107914.db2.gz CBBZJCCTOQASCY-VHSXEESVSA-N 1 0 223.320 1.183 10 30 BDEERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000038043398 170112876 /nfs/dbraw/zinc/11/28/76/170112876.db2.gz RBJWAGCDBOQBKQ-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO CC[NH2+]Cc1cc(F)ccc1-n1cnc(C#N)n1 ZINC000061842398 170125193 /nfs/dbraw/zinc/12/51/93/170125193.db2.gz RGNAKPBKJDVOIM-UHFFFAOYSA-N 1 0 245.261 1.388 10 30 BDEERO CCOC(C#Cc1c[nH+]ccc1N)OCC ZINC000090471390 170311372 /nfs/dbraw/zinc/31/13/72/170311372.db2.gz ISCNLXPMOLAULW-UHFFFAOYSA-N 1 0 220.272 1.414 10 30 BDEERO CCOCCC(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000053733903 170363264 /nfs/dbraw/zinc/36/32/64/170363264.db2.gz AZZPOXZDXGAGDW-UHFFFAOYSA-N 1 0 246.310 1.362 10 30 BDEERO C=CCCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000220240863 412128696 /nfs/dbraw/zinc/12/86/96/412128696.db2.gz QERGMNJLDLZWLY-LLVKDONJSA-N 1 0 212.337 1.784 10 30 BDEERO C=CCC1(NC(=O)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000662888854 412336534 /nfs/dbraw/zinc/33/65/34/412336534.db2.gz OBNKCSSBCYQQHP-LLVKDONJSA-N 1 0 222.332 1.601 10 30 BDEERO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000061980496 172328078 /nfs/dbraw/zinc/32/80/78/172328078.db2.gz KBCRTHRPLUMTJU-LBPRGKRZSA-N 1 0 229.283 1.273 10 30 BDEERO CN(Cc1cccc(C#N)c1)C(=O)CCC[NH3+] ZINC000037807956 172861072 /nfs/dbraw/zinc/86/10/72/172861072.db2.gz UGPFLKMJVHMJQP-UHFFFAOYSA-N 1 0 231.299 1.256 10 30 BDEERO C[NH+]1CCN(C[C@H](C#N)c2ccccc2)CC1 ZINC000041251731 173085618 /nfs/dbraw/zinc/08/56/18/173085618.db2.gz PAOXLRQNVZFCJK-AWEZNQCLSA-N 1 0 229.327 1.541 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1ncccc1C#N ZINC000071190189 173142528 /nfs/dbraw/zinc/14/25/28/173142528.db2.gz JMGNRXQTPAKMMX-NSHDSACASA-N 1 0 230.315 1.341 10 30 BDEERO C[N@@H+]1CC[C@H](CNc2ccccc2C#N)C1 ZINC000037655395 173146356 /nfs/dbraw/zinc/14/63/56/173146356.db2.gz RFCZKNPYKONBQL-LLVKDONJSA-N 1 0 215.300 1.922 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccccc2C#N)C1 ZINC000042375206 173156506 /nfs/dbraw/zinc/15/65/06/173156506.db2.gz AXVYEFBSFCKSLP-NSHDSACASA-N 1 0 201.273 1.674 10 30 BDEERO C[NH2+]CCCCC(=O)N(C)c1ccc(C#N)cc1 ZINC000077399323 173345182 /nfs/dbraw/zinc/34/51/82/173345182.db2.gz SSNVNLMOQFCOMY-UHFFFAOYSA-N 1 0 245.326 1.911 10 30 BDEERO C[NH2+]C[C@H](C)Oc1ccc(C#N)cc1F ZINC000051867693 173375984 /nfs/dbraw/zinc/37/59/84/173375984.db2.gz WYKHFSWMPUJYEY-QMMMGPOBSA-N 1 0 208.236 1.684 10 30 BDEERO COCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034990910 174247781 /nfs/dbraw/zinc/24/77/81/174247781.db2.gz ZTWWLUHROYTKJN-UHFFFAOYSA-N 1 0 234.299 1.715 10 30 BDEERO COCCCOc1ccc(C#CC[NH3+])cc1C ZINC000063063081 174256787 /nfs/dbraw/zinc/25/67/87/174256787.db2.gz VVKZPFGYHIXWFD-UHFFFAOYSA-N 1 0 233.311 1.721 10 30 BDEERO COCC[N@H+]([C@@H](C)C/C(N)=N/O)[C@@H](C)C1CC1 ZINC000042679934 174301847 /nfs/dbraw/zinc/30/18/47/174301847.db2.gz APRPEQCDHGWCOI-UWVGGRQHSA-N 1 0 243.351 1.258 10 30 BDEERO COc1cc2c(cc1C#N)CCC[C@@H]2[NH3+] ZINC000238397303 175020787 /nfs/dbraw/zinc/02/07/87/175020787.db2.gz NXBZDGUMVDZVNE-NSHDSACASA-N 1 0 202.257 1.903 10 30 BDEERO COc1ccc2c(c1)CCCC2=NNC(N)=[NH2+] ZINC000005361519 175207786 /nfs/dbraw/zinc/20/77/86/175207786.db2.gz RIWPLLRKLPJXGL-RVDMUPIBSA-N 1 0 232.287 1.009 10 30 BDEERO COc1cccc(C[N@H+](C)CC/C(N)=N/O)c1 ZINC000019834031 175253488 /nfs/dbraw/zinc/25/34/88/175253488.db2.gz JREIMRIDJKFEIK-UHFFFAOYSA-N 1 0 237.303 1.264 10 30 BDEERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CCC#N ZINC000043096986 175354182 /nfs/dbraw/zinc/35/41/82/175354182.db2.gz ODRZCZFEMBBZFN-FZMZJTMJSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000310529463 175673535 /nfs/dbraw/zinc/67/35/35/175673535.db2.gz POXKICNPORSQHA-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000037889654 175887159 /nfs/dbraw/zinc/88/71/59/175887159.db2.gz FRLWLJJQKTYZMH-QMTHXVAHSA-N 1 0 230.311 1.980 10 30 BDEERO C[C@@H]1CCCN1C(=O)c1cccc(C#CC[NH3+])c1 ZINC000037912569 176106900 /nfs/dbraw/zinc/10/69/00/176106900.db2.gz QXEMDJTVODUVOX-GFCCVEGCSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000123999931 176319182 /nfs/dbraw/zinc/31/91/82/176319182.db2.gz BYEAYEKBEUJWRZ-RISCZKNCSA-N 1 0 229.327 1.945 10 30 BDEERO C[C@@H]1COCCN1Cc1cccc(C#CC[NH3+])c1 ZINC000049609139 176337918 /nfs/dbraw/zinc/33/79/18/176337918.db2.gz DDIQSRSANDJREL-CYBMUJFWSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@H](C[NH3+])C(=O)Nc1ccc(CC#N)cc1 ZINC000054339388 176657259 /nfs/dbraw/zinc/65/72/59/176657259.db2.gz HNKGWTAYWVWNGT-SECBINFHSA-N 1 0 217.272 1.286 10 30 BDEERO C[C@H](C[NH3+])CN(C)c1ccc(C#N)cc1 ZINC000070067579 176658320 /nfs/dbraw/zinc/65/83/20/176658320.db2.gz NTFHFZMRWCKRFE-SNVBAGLBSA-N 1 0 203.289 1.589 10 30 BDEERO C[C@H](c1ccc(C#N)cc1)N1CCC[NH2+]CC1 ZINC000038086945 177033524 /nfs/dbraw/zinc/03/35/24/177033524.db2.gz TVGCOASKKAAEFT-GFCCVEGCSA-N 1 0 229.327 1.915 10 30 BDEERO C[C@H]1CCCC[C@@]1(C#N)N1CCC[NH2+]CC1 ZINC000037940395 177084228 /nfs/dbraw/zinc/08/42/28/177084228.db2.gz VHDDDDMYOWAOSZ-STQMWFEESA-N 1 0 221.348 1.754 10 30 BDEERO C[C@H]1CC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049613612 177162924 /nfs/dbraw/zinc/16/29/24/177162924.db2.gz URPROTUDUNFGQL-ZDUSSCGKSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1F ZINC000054374219 177284054 /nfs/dbraw/zinc/28/40/54/177284054.db2.gz PWYVNROBMNWXBR-JTQLQIEISA-N 1 0 233.290 1.491 10 30 BDEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(F)c1C#N ZINC000104211383 177285648 /nfs/dbraw/zinc/28/56/48/177285648.db2.gz YJHDQADUASXOLX-WPRPVWTQSA-N 1 0 247.273 1.491 10 30 BDEERO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037551354 177340978 /nfs/dbraw/zinc/34/09/78/177340978.db2.gz AENNFXABUQRQIR-ONGXEEELSA-N 1 0 246.285 1.730 10 30 BDEERO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)cc(C#N)n1 ZINC000308236219 229420523 /nfs/dbraw/zinc/42/05/23/229420523.db2.gz BIAJKHGESSZQNR-MFKMUULPSA-N 1 0 230.315 1.814 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000399457835 267341586 /nfs/dbraw/zinc/34/15/86/267341586.db2.gz UHKAGLYYOITSAR-QMTHXVAHSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c(C#N)cn1 ZINC000398952671 267342392 /nfs/dbraw/zinc/34/23/92/267342392.db2.gz CQPZGPVVKAEUNE-QWRGUYRKSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)cc(C#N)n1 ZINC000308240609 323152417 /nfs/dbraw/zinc/15/24/17/323152417.db2.gz NHTIOTFZKVUQEE-AWEZNQCLSA-N 1 0 242.326 1.452 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1CCC(C)(C)C#N ZINC000399325217 323203870 /nfs/dbraw/zinc/20/38/70/323203870.db2.gz KVONKFFSJIZAJB-QWRGUYRKSA-N 1 0 210.321 1.771 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)c(C)n1 ZINC000309219279 323329265 /nfs/dbraw/zinc/32/92/65/323329265.db2.gz QCSSGSCNOICOHL-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO CCC[C@H](C(=O)N(CC)C[C@@H](C)C#N)[NH+](C)C ZINC000161631776 323548372 /nfs/dbraw/zinc/54/83/72/323548372.db2.gz AOGDIQXOSMEFKU-NWDGAFQWSA-N 1 0 239.363 1.725 10 30 BDEERO N#Cc1ccccc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536952463 323959129 /nfs/dbraw/zinc/95/91/29/323959129.db2.gz DLLCKGPEVIFKQQ-ZDUSSCGKSA-N 1 0 230.311 1.763 10 30 BDEERO COc1cc(C[NH2+]CC2CC(O)C2)ccc1C#N ZINC000234907073 324119715 /nfs/dbraw/zinc/11/97/15/324119715.db2.gz MCYGCAMQMWHDAG-UHFFFAOYSA-N 1 0 246.310 1.427 10 30 BDEERO C[C@H]([NH2+]Cc1ccnc(C#N)c1)[C@H]1CCCO1 ZINC000068752485 488129501 /nfs/dbraw/zinc/12/95/01/488129501.db2.gz AKBBZGSXXFWADN-GXFFZTMASA-N 1 0 231.299 1.610 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000382549644 487546674 /nfs/dbraw/zinc/54/66/74/487546674.db2.gz DAKYKBQSNYUHCM-NWDGAFQWSA-N 1 0 222.332 1.553 10 30 BDEERO C=CC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000309080632 491144041 /nfs/dbraw/zinc/14/40/41/491144041.db2.gz PBNGULQLSQSYFO-GFCCVEGCSA-N 1 0 207.273 1.504 10 30 BDEERO N#Cc1cccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000091015624 518196803 /nfs/dbraw/zinc/19/68/03/518196803.db2.gz JEUXRMUSEZIGPR-GFCCVEGCSA-N 1 0 228.299 1.238 10 30 BDEERO C[NH2+][C@@H](C)CNc1nccc(C#N)c1Cl ZINC000261536616 536344829 /nfs/dbraw/zinc/34/48/29/536344829.db2.gz SDROPKJIUYTKLD-ZETCQYMHSA-N 1 0 224.695 1.626 10 30 BDEERO C=CC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120215710 534532955 /nfs/dbraw/zinc/53/29/55/534532955.db2.gz JUAXDSCZSZIBRE-GFCCVEGCSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000175455675 534650599 /nfs/dbraw/zinc/65/05/99/534650599.db2.gz KWXYTMAACQWBJV-LBPRGKRZSA-N 1 0 222.332 1.649 10 30 BDEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262924217 535263311 /nfs/dbraw/zinc/26/33/11/535263311.db2.gz LFHDQNVVRJJBKP-ZRUFSTJUSA-N 1 0 209.337 1.606 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H](C)C(C)C ZINC000263279917 535263505 /nfs/dbraw/zinc/26/35/05/535263505.db2.gz ZSXGPTXFRZRAIZ-RYUDHWBXSA-N 1 0 241.379 1.765 10 30 BDEERO CCCO/N=C\[C@@H](O)C[NH2+]C(C)(C)C ZINC000036459603 581093872 /nfs/dbraw/zinc/09/38/72/581093872.db2.gz SMJOAFHPQBEWCA-RILYUOAZSA-N 1 0 202.298 1.148 10 30 BDEERO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000300361798 582519056 /nfs/dbraw/zinc/51/90/56/582519056.db2.gz ARBOZNDYPHVVKU-YFKTTZPYSA-N 1 0 208.305 1.836 10 30 BDEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000105861420 588226990 /nfs/dbraw/zinc/22/69/90/588226990.db2.gz AKVINBFXXNPLBH-LBPRGKRZSA-N 1 0 244.338 1.649 10 30 BDEERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000312978610 634427847 /nfs/dbraw/zinc/42/78/47/634427847.db2.gz FRHOQPNNBNKDAO-MXWKQRLJSA-N 1 0 208.305 1.693 10 30 BDEERO CCN(c1ccc(C#N)c(C)n1)[C@H]1CC[NH2+]C1 ZINC000310102676 634477491 /nfs/dbraw/zinc/47/74/91/634477491.db2.gz YNFFXKXMUYSNNY-LBPRGKRZSA-N 1 0 230.315 1.450 10 30 BDEERO CC[NH2+]CCCNc1ccnc(C#N)c1 ZINC000061812485 631251465 /nfs/dbraw/zinc/25/14/65/631251465.db2.gz RQXTYDNJOZAATF-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO C=C(Br)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000168309185 632460445 /nfs/dbraw/zinc/46/04/45/632460445.db2.gz ANVJBPVHGPFQBT-MRVPVSSYSA-N 1 0 249.152 1.385 10 30 BDEERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)CC#N ZINC000309472265 633129571 /nfs/dbraw/zinc/12/95/71/633129571.db2.gz REWPGHNXRNNNRZ-NWDGAFQWSA-N 1 0 218.300 1.920 10 30 BDEERO N#Cc1cc(F)cc(COC2C[NH2+]C2)c1 ZINC000163255729 636327558 /nfs/dbraw/zinc/32/75/58/636327558.db2.gz KQGIDMSLKPLOEV-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089386993 636907171 /nfs/dbraw/zinc/90/71/71/636907171.db2.gz ZINSLHITUOVJCP-OLZOCXBDSA-N 1 0 236.359 1.952 10 30 BDEERO C#CCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000228200893 640866052 /nfs/dbraw/zinc/86/60/52/640866052.db2.gz DQNKEQHXZYFTIP-WDEREUQCSA-N 1 0 209.289 1.141 10 30 BDEERO C=C(CC)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228802027 640895992 /nfs/dbraw/zinc/89/59/92/640895992.db2.gz YHLSITFFEBVLFH-MNOVXSKESA-N 1 0 211.305 1.694 10 30 BDEERO COC1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000230688956 641087298 /nfs/dbraw/zinc/08/72/98/641087298.db2.gz JLGLTOQXMQPZFQ-UHFFFAOYSA-N 1 0 222.313 1.887 10 30 BDEERO C=C(Br)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000153537364 641813821 /nfs/dbraw/zinc/81/38/21/641813821.db2.gz UOUIPTZJXDSNJW-YUMQZZPRSA-N 1 0 247.136 1.139 10 30 BDEERO C=C(Br)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000306186035 642728308 /nfs/dbraw/zinc/72/83/08/642728308.db2.gz IUUBVEGWUYEIMB-WCBMZHEXSA-N 1 0 247.180 1.777 10 30 BDEERO N#Cc1cc2ccccc2nc1N1CC[C@H]([NH3+])C1 ZINC000071386067 643139040 /nfs/dbraw/zinc/13/90/40/643139040.db2.gz WIXJEJFMRIAWOK-LBPRGKRZSA-N 1 0 238.294 1.644 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000250681451 643376314 /nfs/dbraw/zinc/37/63/14/643376314.db2.gz YNIIVLGIMUGBBT-QJPTWQEYSA-N 1 0 206.289 1.961 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089386999 644548253 /nfs/dbraw/zinc/54/82/53/644548253.db2.gz ZINSLHITUOVJCP-STQMWFEESA-N 1 0 236.359 1.952 10 30 BDEERO C=CCCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000094997061 644736907 /nfs/dbraw/zinc/73/69/07/644736907.db2.gz ONNZTRBWYFARQH-MNOVXSKESA-N 1 0 211.305 1.694 10 30 BDEERO C[C@@H]([NH2+]CC(=O)NCCC#N)c1cccs1 ZINC000035141877 645978011 /nfs/dbraw/zinc/97/80/11/645978011.db2.gz KQCSGGGXMCZEPW-SECBINFHSA-N 1 0 237.328 1.429 10 30 BDEERO CN(CCCCCC[NH3+])c1ccncc1C#N ZINC000710819463 712257041 /nfs/dbraw/zinc/25/70/41/712257041.db2.gz SAQNORFTGZMOOG-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO CC1(C)OC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)O1 ZINC000715072236 712505770 /nfs/dbraw/zinc/50/57/70/712505770.db2.gz QAJCLSJYBNGOQQ-DCAQKATOSA-N 1 0 224.304 1.420 10 30 BDEERO CC1(C)OC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)O1 ZINC000715072237 712505774 /nfs/dbraw/zinc/50/57/74/712505774.db2.gz QAJCLSJYBNGOQQ-GARJFASQSA-N 1 0 224.304 1.420 10 30 BDEERO N#Cc1c(F)cccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715073254 712506039 /nfs/dbraw/zinc/50/60/39/712506039.db2.gz KQPITSHXGFHXAT-KYZUINATSA-N 1 0 219.263 1.847 10 30 BDEERO C#CC[C@H](COC)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000716957906 712600339 /nfs/dbraw/zinc/60/03/39/712600339.db2.gz NPRUJHGVCBVPAN-UPJWGTAASA-N 1 0 223.316 1.182 10 30 BDEERO C#CC[C@H](CO)[NH2+][C@H]1CCc2ccccc21 ZINC000717801185 712679529 /nfs/dbraw/zinc/67/95/29/712679529.db2.gz JUAHZDMPAWTVOF-OCCSQVGLSA-N 1 0 215.296 1.648 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724611928 710743483 /nfs/dbraw/zinc/74/34/83/710743483.db2.gz ZOFJNHZLNNMIKX-FPYNETTCSA-N 1 0 236.315 1.072 10 30 BDEERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000336668249 711478198 /nfs/dbraw/zinc/47/81/98/711478198.db2.gz WQBJNMBFNOQWGU-YUMQZZPRSA-N 1 0 210.302 1.479 10 30 BDEERO N#Cc1ncccc1N1CC[C@H](CC[NH3+])C1 ZINC000723683299 711533730 /nfs/dbraw/zinc/53/37/30/711533730.db2.gz OGVAZVZKMTWGKW-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723792660 711537263 /nfs/dbraw/zinc/53/72/63/711537263.db2.gz KTUGYFWJDWHUBB-PWSUYJOCSA-N 1 0 244.342 1.838 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CC[NH3+] ZINC000723895407 711543981 /nfs/dbraw/zinc/54/39/81/711543981.db2.gz WGUODOKXPHZVNS-ZYHUDNBSSA-N 1 0 230.315 1.374 10 30 BDEERO N#Cc1sc(N2CCC[C@@H]2C[NH3+])nc1Cl ZINC000236171594 711672446 /nfs/dbraw/zinc/67/24/46/711672446.db2.gz SJXGCZVGGDSOMB-ZCFIWIBFSA-N 1 0 242.735 1.596 10 30 BDEERO Cc1ccc(C[NH2+]CC(C)(C)O)cc1C#N ZINC000701818864 712030051 /nfs/dbraw/zinc/03/00/51/712030051.db2.gz RIHWBVRAUNVHDS-UHFFFAOYSA-N 1 0 218.300 1.727 10 30 BDEERO CCC1([NH3+])CCN(c2ccc(C#N)nc2)CC1 ZINC000714751559 712497131 /nfs/dbraw/zinc/49/71/31/712497131.db2.gz FDXJEABSAQYWTI-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO CCC1([NH3+])CCN(c2ccc(C#N)nn2)CC1 ZINC000714752107 712497208 /nfs/dbraw/zinc/49/72/08/712497208.db2.gz OZUPBGNSHZTPKD-UHFFFAOYSA-N 1 0 231.303 1.056 10 30 BDEERO N#Cc1ncccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715114113 712509822 /nfs/dbraw/zinc/50/98/22/712509822.db2.gz QPIPEIXYGOQBLX-DTORHVGOSA-N 1 0 202.261 1.102 10 30 BDEERO C=CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715368355 712521927 /nfs/dbraw/zinc/52/19/27/712521927.db2.gz OHNDGDUUFMFYKM-ZYHUDNBSSA-N 1 0 208.305 1.068 10 30 BDEERO C=CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000715730903 712531363 /nfs/dbraw/zinc/53/13/63/712531363.db2.gz DNAOVWWDPSMILT-QWRGUYRKSA-N 1 0 211.305 1.836 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@H]([NH3+])C(C)(C)C2)n1 ZINC000720759944 712863885 /nfs/dbraw/zinc/86/38/85/712863885.db2.gz UEEPNCDBKCQYIB-NSHDSACASA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2C[C@@H]([NH3+])C(C)(C)C2)cc(C#N)n1 ZINC000720757765 712864208 /nfs/dbraw/zinc/86/42/08/712864208.db2.gz OCMYTNBNICJXNY-GFCCVEGCSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1nc(N2C[C@H]([NH3+])C(C)(C)C2)ccc1C#N ZINC000720820006 712868564 /nfs/dbraw/zinc/86/85/64/712868564.db2.gz RQBPWESOXGDNAB-NSHDSACASA-N 1 0 230.315 1.435 10 30 BDEERO CC#CCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961656 538908530 /nfs/dbraw/zinc/90/85/30/538908530.db2.gz MZOKTEZJKOVRSS-IUODEOHRSA-N 1 0 245.322 1.902 10 30 BDEERO C[C@H](C#CC(=O)OC(C)(C)C)C1C[NH2+]C1 ZINC000685953274 538897484 /nfs/dbraw/zinc/89/74/84/538897484.db2.gz KGZJGMRUPVJANT-SECBINFHSA-N 1 0 209.289 1.187 10 30 BDEERO CCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185158639 136219715 /nfs/dbraw/zinc/21/97/15/136219715.db2.gz IBFDVEOKBVURHX-VXGBXAGGSA-N 1 0 215.337 1.384 10 30 BDEERO N#Cc1cnccc1[C@@H]1CC[NH2+]C[C@@H]1F ZINC000098091642 187328694 /nfs/dbraw/zinc/32/86/94/187328694.db2.gz LOHFWBVSRHAFSN-QWRGUYRKSA-N 1 0 205.236 1.368 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568707 538938214 /nfs/dbraw/zinc/93/82/14/538938214.db2.gz CRUPULXSTPSCLF-KGLIPLIRSA-N 1 0 244.338 1.824 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000124034328 178363467 /nfs/dbraw/zinc/36/34/67/178363467.db2.gz BVRSIAMEFVYZPU-ZWNOBZJWSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000051579737 178365582 /nfs/dbraw/zinc/36/55/82/178365582.db2.gz DPWIITOMEIDPAT-LBPRGKRZSA-N 1 0 215.300 1.983 10 30 BDEERO Cc1ccc(C#N)c(OC2CC[NH2+]CC2)n1 ZINC000051865752 178365686 /nfs/dbraw/zinc/36/56/86/178365686.db2.gz VSTWSUASFQGKEO-UHFFFAOYSA-N 1 0 217.272 1.393 10 30 BDEERO Cc1cc(C#N)cc(NC2CC[NH2+]CC2)n1 ZINC000157674895 342814805 /nfs/dbraw/zinc/81/48/05/342814805.db2.gz WAUSEGHDQSEROT-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO C=CCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1CC ZINC000381559117 539003817 /nfs/dbraw/zinc/00/38/17/539003817.db2.gz QLTDXNIIQLKUDZ-CHWSQXEVSA-N 1 0 224.348 1.799 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000033465462 187208234 /nfs/dbraw/zinc/20/82/34/187208234.db2.gz ZBTLBFKPAHGPRS-CYBMUJFWSA-N 1 0 235.327 1.764 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000032100006 187208418 /nfs/dbraw/zinc/20/84/18/187208418.db2.gz PQQORSXEVZMIOB-LLVKDONJSA-N 1 0 241.718 1.855 10 30 BDEERO O=C(Cc1cncnc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329773524 136262742 /nfs/dbraw/zinc/26/27/42/136262742.db2.gz IBBYLPKYUJWLOP-NSHDSACASA-N 1 0 246.314 1.212 10 30 BDEERO C[C@@H]1C[NH+](C(C)(C)C=O)C[C@@H](C)S1 ZINC000306669980 362032632 /nfs/dbraw/zinc/03/26/32/362032632.db2.gz BXVLIFYIAHMKQT-RKDXNWHRSA-N 1 0 201.335 1.790 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309977155 343124594 /nfs/dbraw/zinc/12/45/94/343124594.db2.gz UELALRWPSKLAOY-GHMZBOCLSA-N 1 0 223.320 1.137 10 30 BDEERO COc1ccc(NC(N)=[NH2+])c(Cl)c1Cl ZINC000083256540 187243025 /nfs/dbraw/zinc/24/30/25/187243025.db2.gz DTCXWEORVPLHRQ-UHFFFAOYSA-N 1 0 234.086 1.907 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261551770 136272514 /nfs/dbraw/zinc/27/25/14/136272514.db2.gz XQOXLAZRKIMAEQ-GWCFXTLKSA-N 1 0 244.342 1.825 10 30 BDEERO ON=C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037691806 187253381 /nfs/dbraw/zinc/25/33/81/187253381.db2.gz LRBIXMICXGTVSG-MNOVXSKESA-N 1 0 212.293 1.216 10 30 BDEERO N#C[C@H](c1ccccc1F)N1CCC[NH2+]CC1 ZINC000037940550 187261512 /nfs/dbraw/zinc/26/15/12/187261512.db2.gz DENZLKMVVWKSNJ-CYBMUJFWSA-N 1 0 233.290 1.686 10 30 BDEERO C=C(C)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909646 136363962 /nfs/dbraw/zinc/36/39/62/136363962.db2.gz RUTOJNGHPCNKHV-ZDUSSCGKSA-N 1 0 246.358 1.953 10 30 BDEERO N#CCCN(C(=O)CCCCCC[NH3+])C1CC1 ZINC000038099522 187262596 /nfs/dbraw/zinc/26/25/96/187262596.db2.gz JXCGVJWDRPCRBT-UHFFFAOYSA-N 1 0 237.347 1.800 10 30 BDEERO CC[N@@H+]1CC[C@@H](Nc2nccc(C)c2C#N)C1 ZINC000389234189 343624303 /nfs/dbraw/zinc/62/43/03/343624303.db2.gz JGBNLPBRHYLZPM-LLVKDONJSA-N 1 0 230.315 1.768 10 30 BDEERO C[C@H](C#N)C[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000379806802 343630988 /nfs/dbraw/zinc/63/09/88/343630988.db2.gz OCKZVHXUCJHYBH-UTUOFQBUSA-N 1 0 210.321 1.629 10 30 BDEERO N#CCN1CC[NH+](C2CCCCCC2)CC1 ZINC000049818718 187269964 /nfs/dbraw/zinc/26/99/64/187269964.db2.gz HRMRPFUNHXUTBY-UHFFFAOYSA-N 1 0 221.348 1.850 10 30 BDEERO C=C(Br)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000306236427 343760620 /nfs/dbraw/zinc/76/06/20/343760620.db2.gz LAHIKMKXHRFSLY-AEJSXWLSSA-N 1 0 245.164 1.564 10 30 BDEERO C[C@@H]1C[N@H+](CC2(C=O)CCCC2)CCO1 ZINC000051175481 346974936 /nfs/dbraw/zinc/97/49/36/346974936.db2.gz KHGZCSNRXOUSDR-LLVKDONJSA-N 1 0 211.305 1.466 10 30 BDEERO CC(C)[C@H](C#N)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063053016 187273883 /nfs/dbraw/zinc/27/38/83/187273883.db2.gz HYGLJRFXPNSPAS-LBPRGKRZSA-N 1 0 237.347 1.336 10 30 BDEERO CN([C@@H](C#N)c1cccs1)C1C[NH2+]C1 ZINC000409442034 343856679 /nfs/dbraw/zinc/85/66/79/343856679.db2.gz SJEHVGYXSZBBAF-VIFPVBQESA-N 1 0 207.302 1.216 10 30 BDEERO C#CCn1nc(-c2ccccc2)cc1C(N)=[NH2+] ZINC000409443231 343866246 /nfs/dbraw/zinc/86/62/46/343866246.db2.gz JLVWOHRWDOAJSE-UHFFFAOYSA-N 1 0 224.267 1.467 10 30 BDEERO CC(C)(C)N/C(=[NH+]/N)[C@@H]1CCSC1 ZINC000070005298 343946142 /nfs/dbraw/zinc/94/61/42/343946142.db2.gz NVVWEAQVHZYOBL-SSDOTTSWSA-N 1 0 201.339 1.400 10 30 BDEERO C=C(Br)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000307677413 343950681 /nfs/dbraw/zinc/95/06/81/343950681.db2.gz IYCUADNAGOSODJ-ZJUUUORDSA-N 1 0 245.164 1.579 10 30 BDEERO C=C(C)[C@@H]([NH3+])c1ncncc1Br ZINC000307645567 343952280 /nfs/dbraw/zinc/95/22/80/343952280.db2.gz ZHDYSHCTZKVQEO-SSDOTTSWSA-N 1 0 228.093 1.815 10 30 BDEERO Cc1cccc(C#CCN2CC[NH2+]CC2)c1C ZINC000053327694 187358669 /nfs/dbraw/zinc/35/86/69/187358669.db2.gz UFOWYBZDYBABDJ-UHFFFAOYSA-N 1 0 228.339 1.560 10 30 BDEERO O=CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220309873 344149155 /nfs/dbraw/zinc/14/91/55/344149155.db2.gz ZFEWKMGQZKUEDS-NEPJUHHUSA-N 1 0 211.305 1.202 10 30 BDEERO N#CCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000093939135 344149754 /nfs/dbraw/zinc/14/97/54/344149754.db2.gz UKOOEIHCAJYTSH-LBPRGKRZSA-N 1 0 207.321 1.460 10 30 BDEERO C=C(C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616572214 344182493 /nfs/dbraw/zinc/18/24/93/344182493.db2.gz PYPAHSXGZRUVJR-HTQZYQBOSA-N 1 0 236.237 1.301 10 30 BDEERO N#Cc1ccc(F)c(CSC(N)=[NH2+])c1 ZINC000030009034 344455343 /nfs/dbraw/zinc/45/53/43/344455343.db2.gz SRKSHOWFSQQBFF-UHFFFAOYSA-N 1 0 209.249 1.824 10 30 BDEERO N#CCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883538 344470942 /nfs/dbraw/zinc/47/09/42/344470942.db2.gz BUFMNEVSGMDQTQ-LBPRGKRZSA-N 1 0 233.319 1.294 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826366 344472365 /nfs/dbraw/zinc/47/23/65/344472365.db2.gz ZAANQHJDQVWCEL-JHJVBQTASA-N 1 0 232.331 1.944 10 30 BDEERO COC(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054825684 344472612 /nfs/dbraw/zinc/47/26/12/344472612.db2.gz RDKYAIVWMSCEKL-UWVGGRQHSA-N 1 0 210.277 1.221 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000381720892 344540654 /nfs/dbraw/zinc/54/06/54/344540654.db2.gz JRQWYBIBZLRIAB-NXEZZACHSA-N 1 0 244.342 1.980 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C1(C)CCCC1 ZINC000042187176 187291827 /nfs/dbraw/zinc/29/18/27/187291827.db2.gz KZPNMKXMNNZDLK-JTQLQIEISA-N 1 0 208.305 1.047 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000600961636 344691549 /nfs/dbraw/zinc/69/15/49/344691549.db2.gz TTYIIULKDJIYJN-ZYHUDNBSSA-N 1 0 244.342 1.601 10 30 BDEERO C#Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000037612060 187292885 /nfs/dbraw/zinc/29/28/85/187292885.db2.gz TUCZVVQVKJDHOD-UHFFFAOYSA-N 1 0 228.295 1.606 10 30 BDEERO N#Cc1cc(Cl)ccc1OC1C[NH2+]C1 ZINC000062810020 347082407 /nfs/dbraw/zinc/08/24/07/347082407.db2.gz BLTDVHVTRFSYDJ-UHFFFAOYSA-N 1 0 208.648 1.562 10 30 BDEERO C#CC[C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235466638 344920966 /nfs/dbraw/zinc/92/09/66/344920966.db2.gz OAVYOQZOGHUVER-WDEREUQCSA-N 1 0 240.347 1.901 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000235601446 344953161 /nfs/dbraw/zinc/95/31/61/344953161.db2.gz NNBZAGPVXCGTFU-CBAPKCEASA-N 1 0 216.712 1.243 10 30 BDEERO C#CCn1c[nH+]c([C@H]2CCSC2)c1N ZINC000224662527 344966426 /nfs/dbraw/zinc/96/64/26/344966426.db2.gz WYZORIHCCQZUOG-QMMMGPOBSA-N 1 0 207.302 1.319 10 30 BDEERO CC#CCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000155988155 345118040 /nfs/dbraw/zinc/11/80/40/345118040.db2.gz YYVUMMJBOZABJL-UONOGXRCSA-N 1 0 236.359 1.052 10 30 BDEERO C=C(Cl)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226467175 345228467 /nfs/dbraw/zinc/22/84/67/345228467.db2.gz GEXWGHFQLKLNRL-JTQLQIEISA-N 1 0 202.729 1.813 10 30 BDEERO C=C(Br)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000157394410 345258907 /nfs/dbraw/zinc/25/89/07/345258907.db2.gz VDIIWUXMDHEQBL-DTWKUNHWSA-N 1 0 233.153 1.564 10 30 BDEERO COC[C@@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082669193 345664466 /nfs/dbraw/zinc/66/44/66/345664466.db2.gz IGMPSPSWBRXIPH-SECBINFHSA-N 1 0 205.261 1.078 10 30 BDEERO C=C(Cl)C[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000166897247 345948226 /nfs/dbraw/zinc/94/82/26/345948226.db2.gz RHKXWOLLUFJOSO-UWVGGRQHSA-N 1 0 203.713 1.974 10 30 BDEERO ON=C1CC[NH+](Cc2cccnc2)CC1 ZINC000019503040 187313921 /nfs/dbraw/zinc/31/39/21/187313921.db2.gz WZFACLLGCZARAA-UHFFFAOYSA-N 1 0 205.261 1.508 10 30 BDEERO C=C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034329796 346248441 /nfs/dbraw/zinc/24/84/41/346248441.db2.gz BFYGMFJYMANSGU-ZDUSSCGKSA-N 1 0 202.301 1.646 10 30 BDEERO C#Cc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040462 187318276 /nfs/dbraw/zinc/31/82/76/187318276.db2.gz XSPAJWUHEWMOOP-UHFFFAOYSA-N 1 0 200.285 1.832 10 30 BDEERO C#CCN1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096359 187318567 /nfs/dbraw/zinc/31/85/67/187318567.db2.gz DQSWCOHXOLGROQ-AWEZNQCLSA-N 1 0 236.359 1.243 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000309544864 347097945 /nfs/dbraw/zinc/09/79/45/347097945.db2.gz ZKHYABKUYPREBF-VXGBXAGGSA-N 1 0 218.304 1.555 10 30 BDEERO C#CC[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)OC ZINC000390496740 259390889 /nfs/dbraw/zinc/39/08/89/259390889.db2.gz SGHBMOKTZYRJAL-NWDGAFQWSA-N 1 0 223.316 1.721 10 30 BDEERO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000300370952 346531066 /nfs/dbraw/zinc/53/10/66/346531066.db2.gz HSHWQCOAEMYCBO-SDDRHHMPSA-N 1 0 210.321 1.819 10 30 BDEERO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2C#N)cn1 ZINC000128314695 346776296 /nfs/dbraw/zinc/77/62/96/346776296.db2.gz STRIRKJLYZRVDN-QWHCGFSZSA-N 1 0 232.331 1.635 10 30 BDEERO N#Cc1cncc(N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000401500584 346751869 /nfs/dbraw/zinc/75/18/69/346751869.db2.gz GVCMIVHYDFUVSZ-ONGXEEELSA-N 1 0 231.303 1.278 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568894 347473607 /nfs/dbraw/zinc/47/36/07/347473607.db2.gz FOCBLJVSBVNQHD-RYUDHWBXSA-N 1 0 224.348 1.703 10 30 BDEERO N#CCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569079 347521292 /nfs/dbraw/zinc/52/12/92/347521292.db2.gz GAYSOLRUODCMLJ-STQMWFEESA-N 1 0 243.310 1.162 10 30 BDEERO N#CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569077 347521308 /nfs/dbraw/zinc/52/13/08/347521308.db2.gz GAYSOLRUODCMLJ-QWHCGFSZSA-N 1 0 243.310 1.162 10 30 BDEERO Cc1ccccc1[C@H](C#N)NCC[NH+](C)C ZINC000019987222 179333314 /nfs/dbraw/zinc/33/33/14/179333314.db2.gz RLMZRKDSGCHIMR-ZDUSSCGKSA-N 1 0 217.316 1.711 10 30 BDEERO N#Cc1ncccc1NCC1([NH3+])CCCC1 ZINC000594694370 348101336 /nfs/dbraw/zinc/10/13/36/348101336.db2.gz KCQSSVJKOFVPEK-UHFFFAOYSA-N 1 0 216.288 1.637 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(CO)C2)s1 ZINC000595000329 348168625 /nfs/dbraw/zinc/16/86/25/348168625.db2.gz FDHHUILHFMZFNB-UHFFFAOYSA-N 1 0 222.313 1.480 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000595979680 348414370 /nfs/dbraw/zinc/41/43/70/348414370.db2.gz CIKSVFYIDVVWPF-CHWSQXEVSA-N 1 0 235.331 1.281 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000595983124 348418315 /nfs/dbraw/zinc/41/83/15/348418315.db2.gz YQUADPSVSBOJMW-DMDPSCGWSA-N 1 0 235.331 1.124 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000596030892 348426778 /nfs/dbraw/zinc/42/67/78/348426778.db2.gz PAVUZDPNMGJFMF-JTQLQIEISA-N 1 0 244.342 1.852 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383493816 348781985 /nfs/dbraw/zinc/78/19/85/348781985.db2.gz XKTCVAYNSNFYEZ-VIFPVBQESA-N 1 0 240.257 1.656 10 30 BDEERO C=C(Cl)CN1CCO[C@@H]2CCC[C@H]21 ZINC000306634133 349081244 /nfs/dbraw/zinc/08/12/44/349081244.db2.gz UTVMBXFFEYTUJR-NXEZZACHSA-N 1 0 201.697 1.992 10 30 BDEERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(C#N)cc1 ZINC000599078745 349095458 /nfs/dbraw/zinc/09/54/58/349095458.db2.gz ALINNDVYLMCTBD-LEWSCRJBSA-N 1 0 246.310 1.359 10 30 BDEERO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000309019358 349305158 /nfs/dbraw/zinc/30/51/58/349305158.db2.gz SUXKOPBFWCEWSN-WDEREUQCSA-N 1 0 210.321 1.819 10 30 BDEERO C=CC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161274766 349413511 /nfs/dbraw/zinc/41/35/11/349413511.db2.gz ASBROHXJNHGFRP-LLVKDONJSA-N 1 0 220.320 1.663 10 30 BDEERO Cc1nc(NCC[C@H](C)[NH3+])ccc1C#N ZINC000309057093 180018711 /nfs/dbraw/zinc/01/87/11/180018711.db2.gz TYTZVXRYTTUJTD-QMMMGPOBSA-N 1 0 204.277 1.411 10 30 BDEERO C#CCn1cc(CC[NH3+])c(-c2ccsc2)n1 ZINC000409437283 350480414 /nfs/dbraw/zinc/48/04/14/350480414.db2.gz FPZDJPFHUGSFHX-UHFFFAOYSA-N 1 0 231.324 1.746 10 30 BDEERO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000334576734 350694656 /nfs/dbraw/zinc/69/46/56/350694656.db2.gz CJUYYWSDQFUVAI-GFCCVEGCSA-N 1 0 249.358 1.671 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000401360965 350780788 /nfs/dbraw/zinc/78/07/88/350780788.db2.gz FCWXGRNTMFFDHZ-KXUCPTDWSA-N 1 0 247.180 1.966 10 30 BDEERO N#Cc1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616608252 350804581 /nfs/dbraw/zinc/80/45/81/350804581.db2.gz NZSZVNBUMXKBKP-CYBMUJFWSA-N 1 0 215.300 1.654 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCC[C@]12CCOC2 ZINC000306734559 350904698 /nfs/dbraw/zinc/90/46/98/350904698.db2.gz UVCVUHLBHKNYJK-WDEREUQCSA-N 1 0 215.362 1.807 10 30 BDEERO CC(C)=CC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252643457 350913680 /nfs/dbraw/zinc/91/36/80/350913680.db2.gz NTWKNFRYXDHFNK-JQWIXIFHSA-N 1 0 209.289 1.385 10 30 BDEERO CCN1CC[NH2+]C[C@@H]1c1ccccc1C#N ZINC000616636771 351128935 /nfs/dbraw/zinc/12/89/35/351128935.db2.gz CJUWRHBMNKHNHX-CYBMUJFWSA-N 1 0 215.300 1.524 10 30 BDEERO C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616687426 351258777 /nfs/dbraw/zinc/25/87/77/351258777.db2.gz YDNNEICROZYFOK-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO C#CCN(C)c1cc(N)[nH+]cc1Br ZINC000307028826 351430638 /nfs/dbraw/zinc/43/06/38/351430638.db2.gz LHVNIIAZXDDAIA-UHFFFAOYSA-N 1 0 240.104 1.496 10 30 BDEERO Cc1cc(C#N)nc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000231901396 351453672 /nfs/dbraw/zinc/45/36/72/351453672.db2.gz ZVHCBCBNLAVWDI-LLVKDONJSA-N 1 0 245.330 1.045 10 30 BDEERO N#Cc1cccc(Br)c1C[NH3+] ZINC000306984344 351407660 /nfs/dbraw/zinc/40/76/60/351407660.db2.gz LZYJXFFZRQBBEA-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO C#Cc1ccc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000606302099 351553549 /nfs/dbraw/zinc/55/35/49/351553549.db2.gz BOVLXMQJEQXAPA-LBPRGKRZSA-N 1 0 216.284 1.584 10 30 BDEERO C#Cc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000606302180 351555644 /nfs/dbraw/zinc/55/56/44/351555644.db2.gz GUAYHMNSRQFCHF-UHFFFAOYSA-N 1 0 216.284 1.441 10 30 BDEERO O=C[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000307254211 351787973 /nfs/dbraw/zinc/78/79/73/351787973.db2.gz XDFPEGKODXKZFY-VIFPVBQESA-N 1 0 217.259 1.943 10 30 BDEERO N#Cc1cccc2c1C[N@H+]([C@@H]1CCC[C@H]1O)C2 ZINC000405135576 351893216 /nfs/dbraw/zinc/89/32/16/351893216.db2.gz TXKRBNGIXSNBSL-ZIAGYGMSSA-N 1 0 228.295 1.787 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000638472000 352280996 /nfs/dbraw/zinc/28/09/96/352280996.db2.gz NVJQWPHMCZFAJV-GHMZBOCLSA-N 1 0 208.305 1.021 10 30 BDEERO C[C@H](CCC#N)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000411419789 191185616 /nfs/dbraw/zinc/18/56/16/191185616.db2.gz GTDLEPAPVSKBIY-IJLUTSLNSA-N 1 0 209.337 1.561 10 30 BDEERO Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000230779436 352362752 /nfs/dbraw/zinc/36/27/52/352362752.db2.gz OQOYJJHEBXXOCE-ZYHUDNBSSA-N 1 0 218.304 1.244 10 30 BDEERO Cn1nccc1CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000230777884 352362777 /nfs/dbraw/zinc/36/27/77/352362777.db2.gz SXGPWFUZZAVGMJ-AAEUAGOBSA-N 1 0 232.331 1.635 10 30 BDEERO CC1(C)C[N@H+](CCCS)CC[C@H]1O ZINC000307542433 352646083 /nfs/dbraw/zinc/64/60/83/352646083.db2.gz ZLJPBTMCNURCKT-SECBINFHSA-N 1 0 203.351 1.399 10 30 BDEERO Cc1nc(NC[C@@H](C)C[NH3+])c(Cl)cc1C#N ZINC000420209335 192175698 /nfs/dbraw/zinc/17/56/98/192175698.db2.gz BZTGZJMQKXUIAS-ZETCQYMHSA-N 1 0 238.722 1.922 10 30 BDEERO C[C@H](C[NH3+])CNc1c(C#N)nnc2ccccc21 ZINC000420216324 192177385 /nfs/dbraw/zinc/17/73/85/192177385.db2.gz MEOVJUHEMGXQSI-SECBINFHSA-N 1 0 241.298 1.508 10 30 BDEERO N#Cc1cccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000037748627 187940380 /nfs/dbraw/zinc/94/03/80/187940380.db2.gz DHVVYLLJQNQDPM-ZDUSSCGKSA-N 1 0 243.310 1.317 10 30 BDEERO N/C(=N\O)NCc1ccc(Br)cc1 ZINC000052833330 353109248 /nfs/dbraw/zinc/10/92/48/353109248.db2.gz MFKKNHGAGNTYND-UHFFFAOYSA-N 1 0 244.092 1.243 10 30 BDEERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000336753160 353100606 /nfs/dbraw/zinc/10/06/06/353100606.db2.gz DVCJXMJIEXFVGC-UPJWGTAASA-N 1 0 221.348 1.753 10 30 BDEERO CN/C(Cc1ccc(OC)c(OC)c1)=[NH+]\C ZINC000029417519 188010062 /nfs/dbraw/zinc/01/00/62/188010062.db2.gz IVGCKJNXAHLTMT-UHFFFAOYSA-N 1 0 222.288 1.494 10 30 BDEERO C=CC[NH2+]CCn1cnc2ccccc2c1=O ZINC000053525978 188046615 /nfs/dbraw/zinc/04/66/15/188046615.db2.gz HKDCYZOCPFXOJB-UHFFFAOYSA-N 1 0 229.283 1.172 10 30 BDEERO C=CCCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000054400990 188048787 /nfs/dbraw/zinc/04/87/87/188048787.db2.gz UJQIWUMQDSNDJC-VXGBXAGGSA-N 1 0 222.332 1.696 10 30 BDEERO C=CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000054400853 188048903 /nfs/dbraw/zinc/04/89/03/188048903.db2.gz GXKWDGZVPRKEEP-VXGBXAGGSA-N 1 0 222.332 1.553 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000160522559 353266663 /nfs/dbraw/zinc/26/66/63/353266663.db2.gz OFONQCTYAUXZHF-LBPRGKRZSA-N 1 0 203.289 1.580 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000160647895 353269251 /nfs/dbraw/zinc/26/92/51/353269251.db2.gz IUXZSZPCHWPDAO-WDEREUQCSA-N 1 0 212.337 1.798 10 30 BDEERO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000129263328 353313647 /nfs/dbraw/zinc/31/36/47/353313647.db2.gz AUJQKTSSKDSPAS-TZMCWYRMSA-N 1 0 249.358 1.537 10 30 BDEERO N#Cc1ncccc1N[C@@H](CC[NH3+])C(F)F ZINC000383512044 353696545 /nfs/dbraw/zinc/69/65/45/353696545.db2.gz SLILGKHCWORMOU-QMMMGPOBSA-N 1 0 226.230 1.348 10 30 BDEERO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c(C#N)cn1 ZINC000399031451 353707244 /nfs/dbraw/zinc/70/72/44/353707244.db2.gz JSRYSQWLNRUJSD-NSHDSACASA-N 1 0 230.315 1.095 10 30 BDEERO N#Cc1ccc(N[C@H](CC[NH3+])C(F)F)cc1 ZINC000383527546 353877632 /nfs/dbraw/zinc/87/76/32/353877632.db2.gz XZPPRHBPAFHHKF-SNVBAGLBSA-N 1 0 225.242 1.953 10 30 BDEERO N#CCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042251546 181036188 /nfs/dbraw/zinc/03/61/88/181036188.db2.gz OGWGFOMLYYEJRU-RYUDHWBXSA-N 1 0 208.305 1.934 10 30 BDEERO N#C[C@@H](N)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000062436868 181055137 /nfs/dbraw/zinc/05/51/37/181055137.db2.gz MOWYPWNDEOSZHD-QWHCGFSZSA-N 1 0 221.348 1.882 10 30 BDEERO N#C[C@H]([C@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000036336216 181066691 /nfs/dbraw/zinc/06/66/91/181066691.db2.gz MPAYZHMDFJENJZ-NWDGAFQWSA-N 1 0 205.305 1.140 10 30 BDEERO N#C[C@@H]1CCCCC[C@@H]1[NH+]1CCC(O)CC1 ZINC000037146294 181059070 /nfs/dbraw/zinc/05/90/70/181059070.db2.gz HEYBOYVRZJLJHJ-AAEUAGOBSA-N 1 0 222.332 1.916 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH+]1CCC(CC(N)=O)CC1 ZINC000042428783 181060253 /nfs/dbraw/zinc/06/02/53/181060253.db2.gz BOFROKKGZNWOLY-NWDGAFQWSA-N 1 0 235.331 1.266 10 30 BDEERO N#Cc1c(Cl)cccc1N1CC[C@H](C[NH3+])C1 ZINC000052906363 181073264 /nfs/dbraw/zinc/07/32/64/181073264.db2.gz GPKIDFNKSFXHLY-SECBINFHSA-N 1 0 235.718 1.997 10 30 BDEERO N#Cc1c(F)cccc1OC[C@@H]1CCC[NH2+]1 ZINC000051866198 181076949 /nfs/dbraw/zinc/07/69/49/181076949.db2.gz YFQHOYPIYWUIJU-VIFPVBQESA-N 1 0 220.247 1.828 10 30 BDEERO N#Cc1cc(C[NH3+])nc(C(F)(F)F)c1 ZINC000095766805 181084654 /nfs/dbraw/zinc/08/46/54/181084654.db2.gz UCNGTWOCJUMOCI-UHFFFAOYSA-N 1 0 201.151 1.431 10 30 BDEERO N#Cc1cc(Cl)ccc1N[C@H]1C[C@H]1[NH3+] ZINC000052858519 181086907 /nfs/dbraw/zinc/08/69/07/181086907.db2.gz ROKCKASRTJUNLN-SCZZXKLOSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1cc(N)cnc1NCCC[NH+]1CCCC1 ZINC000062070022 181089009 /nfs/dbraw/zinc/08/90/09/181089009.db2.gz HYHCYEDIKZYHEZ-UHFFFAOYSA-N 1 0 245.330 1.433 10 30 BDEERO N#Cc1cc(N)cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000037758903 181090488 /nfs/dbraw/zinc/09/04/88/181090488.db2.gz CJZDCTATQHYOOT-LBPRGKRZSA-N 1 0 243.314 1.042 10 30 BDEERO N#Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000037395908 181118387 /nfs/dbraw/zinc/11/83/87/181118387.db2.gz CQMUPSHSLVKRIT-UHFFFAOYSA-N 1 0 229.283 1.639 10 30 BDEERO N#Cc1ccc(NC2CC[NH2+]CC2)c(F)c1 ZINC000036886657 181119280 /nfs/dbraw/zinc/11/92/80/181119280.db2.gz JKAVYWDQPJDAGS-UHFFFAOYSA-N 1 0 219.263 1.861 10 30 BDEERO N#Cc1ccc(OCC[NH+]2CCCC2)nc1 ZINC000040240106 181127613 /nfs/dbraw/zinc/12/76/13/181127613.db2.gz PDLNHLRKZYVYJX-UHFFFAOYSA-N 1 0 217.272 1.428 10 30 BDEERO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089162377 181137842 /nfs/dbraw/zinc/13/78/42/181137842.db2.gz OKVVMLRIYIYIDQ-KBPBESRZSA-N 1 0 230.311 1.809 10 30 BDEERO N#Cc1ccccc1CO[C@@H]1CC[NH2+]C1 ZINC000051782406 181146668 /nfs/dbraw/zinc/14/66/68/181146668.db2.gz RTTDHMYSUISYFI-GFCCVEGCSA-N 1 0 202.257 1.437 10 30 BDEERO N#Cc1ccccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044502969 181148136 /nfs/dbraw/zinc/14/81/36/181148136.db2.gz QDBABNHONPMPKW-LLVKDONJSA-N 1 0 215.300 1.970 10 30 BDEERO N#Cc1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000044502972 181148440 /nfs/dbraw/zinc/14/84/40/181148440.db2.gz QDBABNHONPMPKW-NSHDSACASA-N 1 0 215.300 1.970 10 30 BDEERO N#Cc1cccnc1NCC1CC[NH2+]CC1 ZINC000040434842 181152347 /nfs/dbraw/zinc/15/23/47/181152347.db2.gz AFCWHOLYINGCAA-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO N#Cc1cccnc1OC[C@H]1CCCC[NH2+]1 ZINC000051883474 181154116 /nfs/dbraw/zinc/15/41/16/181154116.db2.gz WQAMCNNMDDAWQI-LLVKDONJSA-N 1 0 217.272 1.474 10 30 BDEERO N#Cc1cccnc1[S@@](=O)C[C@@H]1CCC[NH2+]C1 ZINC000095073584 181154745 /nfs/dbraw/zinc/15/47/45/181154745.db2.gz RSLANGHBANDFJI-BMLIUANNSA-N 1 0 249.339 1.060 10 30 BDEERO N#Cc1ccnc(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038050603 181157759 /nfs/dbraw/zinc/15/77/59/181157759.db2.gz DYCHCGPKOLZLNO-QWRGUYRKSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1ccnc(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000019474093 181157784 /nfs/dbraw/zinc/15/77/84/181157784.db2.gz GONMWEHEHQCLGJ-GFCCVEGCSA-N 1 0 228.299 1.459 10 30 BDEERO C=C(Cl)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113518466 355239352 /nfs/dbraw/zinc/23/93/52/355239352.db2.gz RAMNDJLSLMMNLA-GHMZBOCLSA-N 1 0 214.740 1.907 10 30 BDEERO C[NH+](C)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000087595599 355398154 /nfs/dbraw/zinc/39/81/54/355398154.db2.gz HYEWVTCZSLIEHG-NSHDSACASA-N 1 0 209.337 1.562 10 30 BDEERO C=C(Br)CN1CCC[NH2+][C@H](C)C1 ZINC000168394289 355769748 /nfs/dbraw/zinc/76/97/48/355769748.db2.gz FHCHJCQPFKFCQM-SECBINFHSA-N 1 0 233.153 1.579 10 30 BDEERO C=C(Br)CNc1cc[nH+]cc1N ZINC000168185916 356545378 /nfs/dbraw/zinc/54/53/78/356545378.db2.gz LLNITUIWQZIUEV-UHFFFAOYSA-N 1 0 228.093 1.984 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384509186 356662639 /nfs/dbraw/zinc/66/26/39/356662639.db2.gz ZEECIYXBDSYYKY-VWYCJHECSA-N 1 0 223.320 1.135 10 30 BDEERO C=C(Br)CN[C@@H]1CC[C@H]([NH3+])C1 ZINC000168226858 356674424 /nfs/dbraw/zinc/67/44/24/356674424.db2.gz QJGOBOSYUCHVBQ-JGVFFNPUSA-N 1 0 219.126 1.364 10 30 BDEERO CC#CCN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000119175613 134225350 /nfs/dbraw/zinc/22/53/50/134225350.db2.gz SWPFHYRXZMSOMX-CQSZACIVSA-N 1 0 238.375 1.442 10 30 BDEERO C[NH+](C)CC#Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000584592981 358251059 /nfs/dbraw/zinc/25/10/59/358251059.db2.gz UUWUFMRIEJHKLQ-UHFFFAOYSA-N 1 0 219.244 1.090 10 30 BDEERO C[NH+](C)CC[C@@]1(C#N)Cc2ccccc21 ZINC000584599907 358256515 /nfs/dbraw/zinc/25/65/15/358256515.db2.gz YFQKKCABYBVECZ-ZDUSSCGKSA-N 1 0 200.285 1.956 10 30 BDEERO OCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000124303707 358516039 /nfs/dbraw/zinc/51/60/39/358516039.db2.gz ONUWNBISOXYARA-OAHLLOKOSA-N 1 0 229.323 1.742 10 30 BDEERO N/C(=N\O)[C@H]1CCCC[N@@H+]1CCCCCF ZINC000304449540 358437311 /nfs/dbraw/zinc/43/73/11/358437311.db2.gz XGUHTTAVSIXZJK-SNVBAGLBSA-N 1 0 231.315 1.727 10 30 BDEERO [NH3+][C@H](C#Cc1ccccc1)CC1OCCO1 ZINC000306156959 358948038 /nfs/dbraw/zinc/94/80/38/358948038.db2.gz MOLCEVFCXQIJHD-GFCCVEGCSA-N 1 0 217.268 1.128 10 30 BDEERO N#CCCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000069607507 359029392 /nfs/dbraw/zinc/02/93/92/359029392.db2.gz QXHYZBWTUJNUFE-UHFFFAOYSA-N 1 0 221.348 1.850 10 30 BDEERO N#Cc1sc(OC2C[NH2+]C2)nc1Cl ZINC000306185238 359002269 /nfs/dbraw/zinc/00/22/69/359002269.db2.gz GQQKIIOWRGLZIO-UHFFFAOYSA-N 1 0 215.665 1.019 10 30 BDEERO C=CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000246417383 359079488 /nfs/dbraw/zinc/07/94/88/359079488.db2.gz MXWCUKNPVCHKIW-UONOGXRCSA-N 1 0 238.375 1.651 10 30 BDEERO C=CC[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000247059082 359191202 /nfs/dbraw/zinc/19/12/02/359191202.db2.gz JZCGPYJWWDBAIR-VXGBXAGGSA-N 1 0 239.363 1.735 10 30 BDEERO C=CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246802043 359166116 /nfs/dbraw/zinc/16/61/16/359166116.db2.gz BVJAOCJZYDAZGT-NEPJUHHUSA-N 1 0 222.332 1.648 10 30 BDEERO Cc1nc(N[C@H](C)C[C@H](C)[NH3+])ccc1C#N ZINC000320775517 359338175 /nfs/dbraw/zinc/33/81/75/359338175.db2.gz ZAJAMPCXVFDGFH-DTWKUNHWSA-N 1 0 218.304 1.799 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000224402619 359608016 /nfs/dbraw/zinc/60/80/16/359608016.db2.gz XOKFHYBAKMVQPT-XQHKEYJVSA-N 1 0 222.332 1.819 10 30 BDEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCO ZINC000045945562 359745326 /nfs/dbraw/zinc/74/53/26/359745326.db2.gz SMLBQRJOIYWDFS-UHFFFAOYSA-N 1 0 239.702 1.434 10 30 BDEERO C#CCOc1cccc(CNCCC[NH+](C)C)c1 ZINC000045946488 359745635 /nfs/dbraw/zinc/74/56/35/359745635.db2.gz SOKWVEGSBLUHKF-UHFFFAOYSA-N 1 0 246.354 1.740 10 30 BDEERO C#CCOc1cccc(C[NH2+]CCCOC)c1 ZINC000045945973 359746183 /nfs/dbraw/zinc/74/61/83/359746183.db2.gz STJFNNBMYQZIEQ-UHFFFAOYSA-N 1 0 233.311 1.825 10 30 BDEERO C=C([C@H]([NH3+])c1cnccn1)C(F)(F)F ZINC000306551406 360424762 /nfs/dbraw/zinc/42/47/62/360424762.db2.gz ALUKUXPNSGJCNJ-ZETCQYMHSA-N 1 0 203.167 1.595 10 30 BDEERO Cc1ccc(C#CCN(C)CC[NH3+])s1 ZINC000306579355 360472876 /nfs/dbraw/zinc/47/28/76/360472876.db2.gz NBLGLKPZQZIOCD-UHFFFAOYSA-N 1 0 208.330 1.299 10 30 BDEERO C=CCN(CCO)c1cc(C)nc(C)n1 ZINC000158671429 361208507 /nfs/dbraw/zinc/20/85/07/361208507.db2.gz ICALXESPFZCIIH-UHFFFAOYSA-N 1 0 207.277 1.078 10 30 BDEERO Cc1c[nH+]ccc1N1CCC[C@@H](C=O)C1 ZINC000070047899 361385857 /nfs/dbraw/zinc/38/58/57/361385857.db2.gz LFGFPNZQVQUFCF-LLVKDONJSA-N 1 0 204.273 1.805 10 30 BDEERO [NH3+]CC#Cc1cccc(OC[C@H]2CCOC2)c1 ZINC000049689767 181346127 /nfs/dbraw/zinc/34/61/27/181346127.db2.gz JLYQLAAQUOZBLN-ZDUSSCGKSA-N 1 0 231.295 1.412 10 30 BDEERO [NH3+]CC#Cc1ccccc1CN1CCCC1=O ZINC000049587717 181346191 /nfs/dbraw/zinc/34/61/91/181346191.db2.gz UTYXGKMARNKQKF-UHFFFAOYSA-N 1 0 228.295 1.119 10 30 BDEERO [NH3+]CC#Cc1cccc(CNC(=O)C2CC2)c1 ZINC000049586511 181346488 /nfs/dbraw/zinc/34/64/88/181346488.db2.gz XMDBVPQIWBHOPA-UHFFFAOYSA-N 1 0 228.295 1.023 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1 ZINC000600963712 364389620 /nfs/dbraw/zinc/38/96/20/364389620.db2.gz ZGKHDXMQXXMKFC-GXSJLCMTSA-N 1 0 201.273 1.484 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000170864161 364545058 /nfs/dbraw/zinc/54/50/58/364545058.db2.gz MDOAUGSJOMDWDW-JTQLQIEISA-N 1 0 249.339 1.396 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000382549651 367537276 /nfs/dbraw/zinc/53/72/76/367537276.db2.gz DAKYKBQSNYUHCM-VXGBXAGGSA-N 1 0 222.332 1.553 10 30 BDEERO C=CC(C)(C)C[NH2+]C[C@H](O)COCCCC ZINC000385184451 367806289 /nfs/dbraw/zinc/80/62/89/367806289.db2.gz NSMDGBWLLFZKPX-LBPRGKRZSA-N 1 0 229.364 1.966 10 30 BDEERO COC(=O)C[C@H]([NH3+])c1ccc(C#N)c(F)c1 ZINC000205411430 369013799 /nfs/dbraw/zinc/01/37/99/369013799.db2.gz DEMGBZMBIBPQHB-JTQLQIEISA-N 1 0 222.219 1.260 10 30 BDEERO CC[NH2+][C@H](C)CNc1ncccc1C#N ZINC000387696326 369078553 /nfs/dbraw/zinc/07/85/53/369078553.db2.gz WHWRFZNWZVFHCC-SECBINFHSA-N 1 0 204.277 1.363 10 30 BDEERO C=CCCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404079314 369418528 /nfs/dbraw/zinc/41/85/28/369418528.db2.gz OTHUZUCDTGCGSU-RYUDHWBXSA-N 1 0 210.321 1.015 10 30 BDEERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc(C#N)n1 ZINC000600954397 369575139 /nfs/dbraw/zinc/57/51/39/369575139.db2.gz AOWHJYYPYNDDQF-KOLCDFICSA-N 1 0 230.315 1.236 10 30 BDEERO C[C@H]1CC[C@H](Nc2cccnc2C#N)C[NH2+]1 ZINC000600954640 369575318 /nfs/dbraw/zinc/57/53/18/369575318.db2.gz FSUXCHAMZXSWDU-UWVGGRQHSA-N 1 0 216.288 1.506 10 30 BDEERO C[NH2+]CCOCCNc1nc(C)cc(C)c1C#N ZINC000600952545 369578260 /nfs/dbraw/zinc/57/82/60/369578260.db2.gz YZIBNEQEMWRRSY-UHFFFAOYSA-N 1 0 248.330 1.218 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccncc1C#N)C2 ZINC000600955739 369578378 /nfs/dbraw/zinc/57/83/78/369578378.db2.gz GHFUOKMXUKEYMV-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000600961899 369579426 /nfs/dbraw/zinc/57/94/26/369579426.db2.gz WQEKHVRGWYLQIC-CABZTGNLSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600962780 369581299 /nfs/dbraw/zinc/58/12/99/369581299.db2.gz MCZATNDRWKGVDE-WCBMZHEXSA-N 1 0 246.270 1.392 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251241576 369745040 /nfs/dbraw/zinc/74/50/40/369745040.db2.gz SWPPVTOCSDDASQ-UPJWGTAASA-N 1 0 249.358 1.621 10 30 BDEERO N#Cc1cc(F)c(N2CC[NH2+]CC2)nc1Cl ZINC000409424256 369975365 /nfs/dbraw/zinc/97/53/65/369975365.db2.gz GITOILZJXVGTCG-UHFFFAOYSA-N 1 0 240.669 1.155 10 30 BDEERO C[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000111302504 370125632 /nfs/dbraw/zinc/12/56/32/370125632.db2.gz NWLPDIZFQZFSEO-SECBINFHSA-N 1 0 230.315 1.591 10 30 BDEERO C[C@@H]([NH3+])CCNC(=O)c1cccc(C#N)c1 ZINC000063170375 370138465 /nfs/dbraw/zinc/13/84/65/370138465.db2.gz KXPRPCUJJKDLCH-SECBINFHSA-N 1 0 217.272 1.025 10 30 BDEERO N#Cc1cnccc1NC1CC[NH2+]CC1 ZINC000115080357 370620087 /nfs/dbraw/zinc/62/00/87/370620087.db2.gz BEKXPWXLTQBLLU-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)cc1 ZINC000070010808 371002598 /nfs/dbraw/zinc/00/25/98/371002598.db2.gz QBCRQOKASHCEBZ-LBPRGKRZSA-N 1 0 203.289 1.953 10 30 BDEERO CC[C@@H]1CN(c2cccnc2C#N)CC[C@@H]1[NH3+] ZINC000131093945 371557178 /nfs/dbraw/zinc/55/71/78/371557178.db2.gz VBHMMSLKGCRYGJ-MNOVXSKESA-N 1 0 230.315 1.517 10 30 BDEERO N[NH+]=C(N)Cc1ccc(Br)cc1 ZINC000058563392 372060395 /nfs/dbraw/zinc/06/03/95/372060395.db2.gz XMDMKSZRCNCKIW-UHFFFAOYSA-N 1 0 228.093 1.223 10 30 BDEERO CCc1nnc(N(C)CCC[NH3+])c(C#N)c1CC ZINC000133819650 372117853 /nfs/dbraw/zinc/11/78/53/372117853.db2.gz UCJYXUPDGDVPMX-UHFFFAOYSA-N 1 0 247.346 1.258 10 30 BDEERO C=C([C@H]([NH3+])[C@@H]1OCC[C@@H]1C)C(F)(F)F ZINC000307759505 372145896 /nfs/dbraw/zinc/14/58/96/372145896.db2.gz RXDPDZGADJTTDC-APQOSEDMSA-N 1 0 209.211 1.857 10 30 BDEERO C=C(Br)CN(C)[C@H]1CC[NH2+]C1 ZINC000070895889 374226025 /nfs/dbraw/zinc/22/60/25/374226025.db2.gz JXNZXRGSTKASIR-QMMMGPOBSA-N 1 0 219.126 1.189 10 30 BDEERO N#Cc1cccc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246621552 374279508 /nfs/dbraw/zinc/27/95/08/374279508.db2.gz GJRLCDISAFLGNP-LBPRGKRZSA-N 1 0 228.299 1.238 10 30 BDEERO C=CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246815276 374316183 /nfs/dbraw/zinc/31/61/83/374316183.db2.gz WUERUKPCKXPSGV-NEPJUHHUSA-N 1 0 237.347 1.441 10 30 BDEERO O[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000052015480 183188938 /nfs/dbraw/zinc/18/89/38/183188938.db2.gz VMSMYHQMZJTVEM-LSDHHAIUSA-N 1 0 229.323 1.931 10 30 BDEERO Oc1cccc2c1CC[NH2+][C@H]2CCS ZINC000083703591 183295626 /nfs/dbraw/zinc/29/56/26/183295626.db2.gz YIARJERCQZPSGF-JTQLQIEISA-N 1 0 209.314 1.899 10 30 BDEERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000343992211 383903656 /nfs/dbraw/zinc/90/36/56/383903656.db2.gz VNFVXWMPOSZIFX-KGLIPLIRSA-N 1 0 246.310 1.140 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1F ZINC000334957989 383986785 /nfs/dbraw/zinc/98/67/85/383986785.db2.gz WFQYEHIGXJSSRD-GFCCVEGCSA-N 1 0 247.273 1.066 10 30 BDEERO C=CCCCN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188596218 383987621 /nfs/dbraw/zinc/98/76/21/383987621.db2.gz JLNTXZVVIIYTQD-UHFFFAOYSA-N 1 0 248.330 1.094 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334746127 383945581 /nfs/dbraw/zinc/94/55/81/383945581.db2.gz NVAVNKYCKPZZRP-ZWNOBZJWSA-N 1 0 248.301 1.900 10 30 BDEERO Cc1ccnc(NC[C@@H]([NH3+])C(C)C)c1C#N ZINC000135203361 384175770 /nfs/dbraw/zinc/17/57/70/384175770.db2.gz XRQDASCFRCVWSV-LLVKDONJSA-N 1 0 218.304 1.657 10 30 BDEERO C[C@H](CCC[NH3+])Nc1cccc(C#N)n1 ZINC000336720722 384256458 /nfs/dbraw/zinc/25/64/58/384256458.db2.gz ZWMHDESHVHAJTK-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO C[C@@H](C[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000082576383 384399590 /nfs/dbraw/zinc/39/95/90/384399590.db2.gz TWKNMMLJHDMSJH-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000062965507 385410263 /nfs/dbraw/zinc/41/02/63/385410263.db2.gz PVGPQRWKNFOWRJ-CQSZACIVSA-N 1 0 229.327 1.694 10 30 BDEERO C[NH2+]C[C@H]1CCN(c2cc(C)nc(C#N)c2)C1 ZINC000308245265 385414189 /nfs/dbraw/zinc/41/41/89/385414189.db2.gz QXSCPLZIGKEIDK-LLVKDONJSA-N 1 0 230.315 1.307 10 30 BDEERO CO[C@H]1CC[C@H](c2ccc(C#N)cc2)[NH2+]C1 ZINC000584599208 385466428 /nfs/dbraw/zinc/46/64/28/385466428.db2.gz UGNSEYXOGNAMLX-QWHCGFSZSA-N 1 0 216.284 1.998 10 30 BDEERO C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCCO1 ZINC000183103020 385508736 /nfs/dbraw/zinc/50/87/36/385508736.db2.gz FSBRDYDSSFTYSC-SRVKXCTJSA-N 1 0 221.304 1.587 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc(C#N)cc1F ZINC000308890300 385627521 /nfs/dbraw/zinc/62/75/21/385627521.db2.gz HITDOXUMPQTCIV-MRVPVSSYSA-N 1 0 207.252 1.704 10 30 BDEERO C[C@H](CCC[NH3+])Nc1cc(C#N)ccn1 ZINC000308996772 385681733 /nfs/dbraw/zinc/68/17/33/385681733.db2.gz KDGCUJODBFLXFN-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO C[C@H](CCC[NH3+])Nc1ccnc(C#N)c1 ZINC000309027980 385713465 /nfs/dbraw/zinc/71/34/65/385713465.db2.gz ZHPUUNWYACSWHG-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336736350 385738668 /nfs/dbraw/zinc/73/86/68/385738668.db2.gz ITFNWJBAHBHWAK-VHSXEESVSA-N 1 0 223.320 1.183 10 30 BDEERO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253100353 533154056 /nfs/dbraw/zinc/15/40/56/533154056.db2.gz WIFNNHBCIIPOBH-UPJWGTAASA-N 1 0 207.317 1.635 10 30 BDEERO C#CC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900309 533155493 /nfs/dbraw/zinc/15/54/93/533155493.db2.gz ITISJHNKJQTVGU-GFCCVEGCSA-N 1 0 203.289 1.462 10 30 BDEERO Cc1cc(NC[C@@H]([NH3+])C(C)C)c(C#N)cn1 ZINC000398994573 386408519 /nfs/dbraw/zinc/40/85/19/386408519.db2.gz NXRJMWDWZAEFHM-LLVKDONJSA-N 1 0 218.304 1.079 10 30 BDEERO CCC[C@H](C(=O)NCCCCC#N)[NH+](C)C ZINC000179213569 386619668 /nfs/dbraw/zinc/61/96/68/386619668.db2.gz RBFYYJSPDQLXNH-LLVKDONJSA-N 1 0 225.336 1.527 10 30 BDEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398759634 386984252 /nfs/dbraw/zinc/98/42/52/386984252.db2.gz GZZXYKWKBISSIO-AVGNSLFASA-N 1 0 207.317 1.493 10 30 BDEERO N#CCCOCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398802915 386996626 /nfs/dbraw/zinc/99/66/26/386996626.db2.gz RVJMZNVZSKHEIC-YNEHKIRRSA-N 1 0 238.331 1.009 10 30 BDEERO C=C(Br)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000575592202 387211546 /nfs/dbraw/zinc/21/15/46/387211546.db2.gz ZFJCINXGSNPDNP-SFYZADRCSA-N 1 0 219.126 1.317 10 30 BDEERO C=C(Br)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000575592200 387212112 /nfs/dbraw/zinc/21/21/12/387212112.db2.gz ZFJCINXGSNPDNP-JGVFFNPUSA-N 1 0 219.126 1.317 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cccc(C#N)n1 ZINC000094460874 387275729 /nfs/dbraw/zinc/27/57/29/387275729.db2.gz NJGFYZQOULRQLW-WCQYABFASA-N 1 0 242.326 1.626 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000392918145 387302896 /nfs/dbraw/zinc/30/28/96/387302896.db2.gz WQABWQRMGIDULR-MNOVXSKESA-N 1 0 237.347 1.573 10 30 BDEERO C/[NH+]=C(/Cc1ccccc1Br)NN ZINC000575513295 387386126 /nfs/dbraw/zinc/38/61/26/387386126.db2.gz NJQKPKFJQPLMGI-UHFFFAOYSA-N 1 0 242.120 1.483 10 30 BDEERO CC[NH2+]CC#Cc1ccc(Br)cn1 ZINC000575508801 387391537 /nfs/dbraw/zinc/39/15/37/387391537.db2.gz SUIVHIXJRHAIAJ-UHFFFAOYSA-N 1 0 239.116 1.805 10 30 BDEERO N#Cc1ncccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130073953 387520047 /nfs/dbraw/zinc/52/00/47/387520047.db2.gz HSZOBFIRVXOHPO-LLVKDONJSA-N 1 0 228.299 1.238 10 30 BDEERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123626380 387588777 /nfs/dbraw/zinc/58/87/77/387588777.db2.gz ATPWIELURRZVOL-BXKDBHETSA-N 1 0 226.283 1.704 10 30 BDEERO Cc1cc(C#N)cc(NCC[C@H](C)[NH3+])n1 ZINC000157679845 387863927 /nfs/dbraw/zinc/86/39/27/387863927.db2.gz NJVQJIIRUNLSOW-QMMMGPOBSA-N 1 0 204.277 1.411 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)C#N ZINC000083550517 388055391 /nfs/dbraw/zinc/05/53/91/388055391.db2.gz WLLDFFGPRQUGEM-WDEREUQCSA-N 1 0 235.331 1.231 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC#N ZINC000083550934 388055526 /nfs/dbraw/zinc/05/55/26/388055526.db2.gz IJJUMDOTXUQQCW-QWHCGFSZSA-N 1 0 221.348 1.849 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](CCC(C)(C)C#N)C1 ZINC000335588201 388451852 /nfs/dbraw/zinc/45/18/52/388451852.db2.gz ILRKJZUNXQGMOI-GHMZBOCLSA-N 1 0 210.321 1.629 10 30 BDEERO C[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000055421347 388598867 /nfs/dbraw/zinc/59/88/67/388598867.db2.gz NDEKBDFVDZJWDR-MRVPVSSYSA-N 1 0 203.245 1.105 10 30 BDEERO C[NH2+]C1CCN(c2ncccc2C#N)CC1 ZINC000095071533 388757704 /nfs/dbraw/zinc/75/77/04/388757704.db2.gz KYDRFZSEWUMSGW-UHFFFAOYSA-N 1 0 216.288 1.141 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000281513893 388804358 /nfs/dbraw/zinc/80/43/58/388804358.db2.gz AGFWVXXVURVFDB-GWCFXTLKSA-N 1 0 243.310 1.315 10 30 BDEERO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000564574721 388878646 /nfs/dbraw/zinc/87/86/46/388878646.db2.gz FWXSEIPJRUHWFY-NWDGAFQWSA-N 1 0 209.337 1.562 10 30 BDEERO Cc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000291572964 132242143 /nfs/dbraw/zinc/24/21/43/132242143.db2.gz FCHXTLSWNPHWFE-CYBMUJFWSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1cccc(N2CCC[C@H]([NH3+])C2)c1 ZINC000043470514 132353017 /nfs/dbraw/zinc/35/30/17/132353017.db2.gz HHEWJMOJEBQRLH-NSHDSACASA-N 1 0 201.273 1.486 10 30 BDEERO N#Cc1cccc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000043470516 132353094 /nfs/dbraw/zinc/35/30/94/132353094.db2.gz HHEWJMOJEBQRLH-LLVKDONJSA-N 1 0 201.273 1.486 10 30 BDEERO Cc1cc(C#N)cc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000161094131 133511971 /nfs/dbraw/zinc/51/19/71/133511971.db2.gz FGQPKCXSGVAJNP-CYBMUJFWSA-N 1 0 242.326 1.546 10 30 BDEERO CC[C@H]([NH3+])CNc1c(F)cc(C#N)cc1F ZINC000088125074 133550334 /nfs/dbraw/zinc/55/03/34/133550334.db2.gz FWMMZVKSLDNKSD-QMMMGPOBSA-N 1 0 225.242 1.986 10 30 BDEERO CC#CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000120039843 134227217 /nfs/dbraw/zinc/22/72/17/134227217.db2.gz WZIZOELFSQLFPY-LBPRGKRZSA-N 1 0 203.289 1.960 10 30 BDEERO C[C@@H](C#N)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181903916 134340717 /nfs/dbraw/zinc/34/07/17/134340717.db2.gz MIQFJNQUYGVESW-NWDGAFQWSA-N 1 0 207.321 1.316 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000226611357 134368175 /nfs/dbraw/zinc/36/81/75/134368175.db2.gz TVCUAIDMCCHULU-SDDRHHMPSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1ccc(C#N)c(NCC[C@H](C)[NH3+])n1 ZINC000063171449 134524287 /nfs/dbraw/zinc/52/42/87/134524287.db2.gz DYINQKDNEWGFBD-QMMMGPOBSA-N 1 0 204.277 1.411 10 30 BDEERO CC#CCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248401192 135006684 /nfs/dbraw/zinc/00/66/84/135006684.db2.gz YYVUMMJBOZABJL-KGLIPLIRSA-N 1 0 236.359 1.052 10 30 BDEERO C[C@H](C#N)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248457500 135011881 /nfs/dbraw/zinc/01/18/81/135011881.db2.gz MIQFJNQUYGVESW-NEPJUHHUSA-N 1 0 207.321 1.316 10 30 BDEERO C[C@H](C#N)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000070995399 135017236 /nfs/dbraw/zinc/01/72/36/135017236.db2.gz UXIFXVHUDHPQQN-GFCCVEGCSA-N 1 0 223.364 1.952 10 30 BDEERO CCOC(=O)[C@]1(C(C)C)CCN([C@H](C)C#N)C1 ZINC000248726474 135020184 /nfs/dbraw/zinc/02/01/84/135020184.db2.gz IDEKSEGLHDDMED-DGCLKSJQSA-N 1 0 238.331 1.810 10 30 BDEERO C#CCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248575927 135020648 /nfs/dbraw/zinc/02/06/48/135020648.db2.gz DMYAXOPGLFCOBV-AVGNSLFASA-N 1 0 234.343 1.376 10 30 BDEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249281527 135027103 /nfs/dbraw/zinc/02/71/03/135027103.db2.gz GSIDJEGNCNOUSR-HONMWMINSA-N 1 0 246.310 1.047 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000251719873 135075345 /nfs/dbraw/zinc/07/53/45/135075345.db2.gz BYUXQIRWYPVZJZ-KXNHARMFSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C#N ZINC000252661489 135094733 /nfs/dbraw/zinc/09/47/33/135094733.db2.gz LEHLIVJIGSJBRS-NEPJUHHUSA-N 1 0 249.358 1.621 10 30 BDEERO Cc1cc(C#N)nc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000261550822 135190099 /nfs/dbraw/zinc/19/00/99/135190099.db2.gz QZIHFILBBBLOMJ-BXKDBHETSA-N 1 0 245.330 1.220 10 30 BDEERO Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000261572941 135214770 /nfs/dbraw/zinc/21/47/70/135214770.db2.gz MCJKPBRMXRBTDW-GWCFXTLKSA-N 1 0 244.342 1.825 10 30 BDEERO CC(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000261688065 135246104 /nfs/dbraw/zinc/24/61/04/135246104.db2.gz RIAGMEVYGJKORY-MWLCHTKSSA-N 1 0 225.336 1.114 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@@H]1CCO[C@@H]1C(C)C ZINC000261712249 135247513 /nfs/dbraw/zinc/24/75/13/135247513.db2.gz VMOLHAYINKFPNF-NWDGAFQWSA-N 1 0 241.379 1.608 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@@H]1CCO[C@H]1C(C)C ZINC000261712252 135247757 /nfs/dbraw/zinc/24/77/57/135247757.db2.gz VMOLHAYINKFPNF-RYUDHWBXSA-N 1 0 241.379 1.608 10 30 BDEERO CN(C)C(=[NH+]CC#Cc1cccc(F)c1)N(C)C ZINC000261766076 135251499 /nfs/dbraw/zinc/25/14/99/135251499.db2.gz LZZWNIGZLIKADD-UHFFFAOYSA-N 1 0 247.317 1.656 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCCS1)N[C@@H]1C[C@@H]1C ZINC000261940483 135264933 /nfs/dbraw/zinc/26/49/33/135264933.db2.gz DMVZYKYRFPCCLX-LPEHRKFASA-N 1 0 227.377 1.455 10 30 BDEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262030484 135274032 /nfs/dbraw/zinc/27/40/32/135274032.db2.gz XMNUQJDEZFDTGA-IJLUTSLNSA-N 1 0 244.766 1.486 10 30 BDEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(C(F)F)CC1 ZINC000262378665 135297457 /nfs/dbraw/zinc/29/74/57/135297457.db2.gz NLNHDMYNGOQCKJ-MRVPVSSYSA-N 1 0 247.289 1.115 10 30 BDEERO CCC[C@H]1C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000262386470 135299034 /nfs/dbraw/zinc/29/90/34/135299034.db2.gz HUQIDVFVJBYDRJ-UWVGGRQHSA-N 1 0 227.377 1.539 10 30 BDEERO [NH2+]=C(NCC1CCC1)NCC1(C(F)F)CC1 ZINC000262463174 135300801 /nfs/dbraw/zinc/30/08/01/135300801.db2.gz MYXHFILVFSAAPS-UHFFFAOYSA-N 1 0 231.290 1.736 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC(C)(C)Oc2ccccc2)N1 ZINC000262651285 135311365 /nfs/dbraw/zinc/31/13/65/135311365.db2.gz KNNYTOYCCABBHO-LLVKDONJSA-N 1 0 247.342 1.781 10 30 BDEERO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262649580 135311426 /nfs/dbraw/zinc/31/14/26/135311426.db2.gz KBIPWCPGOHJLBF-CHWFTXMASA-N 1 0 225.336 1.127 10 30 BDEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)NC1CCCC1 ZINC000262686418 135313932 /nfs/dbraw/zinc/31/39/32/135313932.db2.gz ASKMMUACTBBZRG-YUMQZZPRSA-N 1 0 217.263 1.487 10 30 BDEERO C[NH+]=C(NCC1CCC1)NCC1(O)CCCC1 ZINC000262776400 135318072 /nfs/dbraw/zinc/31/80/72/135318072.db2.gz JKZUOGPDULVYIB-UHFFFAOYSA-N 1 0 239.363 1.257 10 30 BDEERO C[NH+]=C(NCc1ccco1)N[C@H]1C[C@@H]1C(F)F ZINC000263186113 135337837 /nfs/dbraw/zinc/33/78/37/135337837.db2.gz WVSYZJPBXXLVPZ-IUCAKERBSA-N 1 0 243.257 1.598 10 30 BDEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CC12CC2 ZINC000263190339 135338368 /nfs/dbraw/zinc/33/83/68/135338368.db2.gz VONYXUOFCGPGLG-SNVBAGLBSA-N 1 0 249.383 1.995 10 30 BDEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000296045813 135379510 /nfs/dbraw/zinc/37/95/10/135379510.db2.gz FMSHBXWMMORNRD-HIFRSBDPSA-N 1 0 229.323 1.883 10 30 BDEERO C=C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091735 409672606 /nfs/dbraw/zinc/67/26/06/409672606.db2.gz FZPLQYGDPHYPML-XLPZGREQSA-N 1 0 236.237 1.075 10 30 BDEERO C#CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040768936 166187871 /nfs/dbraw/zinc/18/78/71/166187871.db2.gz UJNMUMKWGTXPFG-PBWFPOADSA-N 1 0 220.360 1.718 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000037184901 166191333 /nfs/dbraw/zinc/19/13/33/166191333.db2.gz WMHXBANGJUHGJX-VIFPVBQESA-N 1 0 217.272 1.461 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000019875622 166192157 /nfs/dbraw/zinc/19/21/57/166192157.db2.gz HRFNKLFKIMKMMK-SNVBAGLBSA-N 1 0 237.324 1.374 10 30 BDEERO C#CC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000020084759 166192469 /nfs/dbraw/zinc/19/24/69/166192469.db2.gz VAPMBCMAUJWVGU-SNVBAGLBSA-N 1 0 228.299 1.630 10 30 BDEERO C#CCOc1c(OC)cc(CC[NH3+])cc1OC ZINC000037628166 166197492 /nfs/dbraw/zinc/19/74/92/166197492.db2.gz KNIWBMMJSJHUJB-UHFFFAOYSA-N 1 0 235.283 1.217 10 30 BDEERO C#CCOc1cc2c(cc1C[C@H]([NH3+])CC)OCO2 ZINC000042878822 166197784 /nfs/dbraw/zinc/19/77/84/166197784.db2.gz UJKVDIHSCZAGSR-LLVKDONJSA-N 1 0 247.294 1.707 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000019474780 166222641 /nfs/dbraw/zinc/22/26/41/166222641.db2.gz YLWSHEIFCNBEPM-ZDUSSCGKSA-N 1 0 230.311 1.980 10 30 BDEERO C=CCN(CCc1ccco1)C(=O)[C@@H](C)[NH3+] ZINC000262099823 166344702 /nfs/dbraw/zinc/34/47/02/166344702.db2.gz CNINWJFDJBNPFN-SNVBAGLBSA-N 1 0 222.288 1.184 10 30 BDEERO C=CCN(Cc1ccc(CC)cc1)C(=O)C[NH3+] ZINC000032089647 166346025 /nfs/dbraw/zinc/34/60/25/166346025.db2.gz LDVCUODCXJWTGI-UHFFFAOYSA-N 1 0 232.327 1.722 10 30 BDEERO C=CCN1CCN([C@H](C#N)CCC)CC1 ZINC000104063784 166355034 /nfs/dbraw/zinc/35/50/34/166355034.db2.gz VKZABOYILGRTAW-LBPRGKRZSA-N 1 0 207.321 1.482 10 30 BDEERO C=CCNC(=O)COc1ccccc1C[C@H](C)[NH3+] ZINC000037724214 166373115 /nfs/dbraw/zinc/37/31/15/166373115.db2.gz CDIVEBYGPIRCIK-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(C#N)o2)C1 ZINC000154076222 167029035 /nfs/dbraw/zinc/02/90/35/167029035.db2.gz RERNFKFZCDBLHS-RISCZKNCSA-N 1 0 247.342 1.970 10 30 BDEERO CC(C)NC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049587500 167073473 /nfs/dbraw/zinc/07/34/73/167073473.db2.gz AJCOLUSPCOFVBU-UHFFFAOYSA-N 1 0 245.326 1.204 10 30 BDEERO CC(C)[NH2+]C[C@@H](O)CON=C1CCCC1 ZINC000029334211 167112183 /nfs/dbraw/zinc/11/21/83/167112183.db2.gz LTHPIAMOUSTEOF-LLVKDONJSA-N 1 0 214.309 1.292 10 30 BDEERO CC(C)[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000037571782 167379073 /nfs/dbraw/zinc/37/90/73/167379073.db2.gz XCBDJKYYXLZAAB-GFCCVEGCSA-N 1 0 244.338 1.771 10 30 BDEERO C[C@@](N)(C#N)CC[NH+]1CCC(C)(C)CC1 ZINC000061821669 167921607 /nfs/dbraw/zinc/92/16/07/167921607.db2.gz ULXGNUQQABHKLT-LBPRGKRZSA-N 1 0 209.337 1.739 10 30 BDEERO CC1CCC([N@H+](C)C[C@](C)(N)C#N)CC1 ZINC000045177770 168160573 /nfs/dbraw/zinc/16/05/73/168160573.db2.gz DVEXKAMDHXBVBN-HTAVTVPLSA-N 1 0 209.337 1.738 10 30 BDEERO C=CCOCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659358304 411401419 /nfs/dbraw/zinc/40/14/19/411401419.db2.gz GXKCXFFWZUIQMY-VXGBXAGGSA-N 1 0 240.347 1.070 10 30 BDEERO CC[N@@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000037655347 170017348 /nfs/dbraw/zinc/01/73/48/170017348.db2.gz SNXRDCSZBHMGBT-GFCCVEGCSA-N 1 0 230.315 1.707 10 30 BDEERO CCNC(=O)CC[N@H+](CCC#N)CC(C)C ZINC000051759471 170050947 /nfs/dbraw/zinc/05/09/47/170050947.db2.gz AAGLPGZSBHGWOU-UHFFFAOYSA-N 1 0 225.336 1.384 10 30 BDEERO CCOC(=O)C[n+]1ccccc1Br ZINC000001760509 170234550 /nfs/dbraw/zinc/23/45/50/170234550.db2.gz OOUDPPCCMHIHTI-UHFFFAOYSA-N 1 0 245.096 1.300 10 30 BDEERO CCOc1cccc([C@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019934547 170585364 /nfs/dbraw/zinc/58/53/64/170585364.db2.gz TWTFIDWVINNCQX-AWEZNQCLSA-N 1 0 245.326 1.555 10 30 BDEERO CC[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC000111304819 170865452 /nfs/dbraw/zinc/86/54/52/170865452.db2.gz MEJAVEGONVNZIQ-LLVKDONJSA-N 1 0 230.315 1.591 10 30 BDEERO C=CCOCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662664339 412263740 /nfs/dbraw/zinc/26/37/40/412263740.db2.gz RTFLUAAGQVMVGH-CYBMUJFWSA-N 1 0 240.347 1.228 10 30 BDEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])COC ZINC000662602823 412236436 /nfs/dbraw/zinc/23/64/36/412236436.db2.gz RZEJLJOSLXGSDI-IJLUTSLNSA-N 1 0 240.347 1.211 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662631429 412250548 /nfs/dbraw/zinc/25/05/48/412250548.db2.gz SXSGRIFTAWSMMX-UPJWGTAASA-N 1 0 236.359 1.929 10 30 BDEERO CN(C)C=C1CCC(C(=O)C(F)(F)F)=C1O ZINC000043463785 172350496 /nfs/dbraw/zinc/35/04/96/172350496.db2.gz ZSLJKOLTCFTLMC-WEWAHIQMSA-N 1 0 235.205 1.542 10 30 BDEERO CN(C)C=C1CCCC(C(=O)C(F)(F)F)=C1O ZINC000043463781 172350837 /nfs/dbraw/zinc/35/08/37/172350837.db2.gz KPSZUCBQAYFOAY-HYDMIIDASA-N 1 0 249.232 1.933 10 30 BDEERO C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000042277161 173046662 /nfs/dbraw/zinc/04/66/62/173046662.db2.gz BTSLFDHQQGWSRD-NSHDSACASA-N 1 0 216.288 1.459 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000048738710 173125293 /nfs/dbraw/zinc/12/52/93/173125293.db2.gz LHVHFIBVHOKGHH-SNVBAGLBSA-N 1 0 202.261 1.069 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000071190191 173143065 /nfs/dbraw/zinc/14/30/65/173143065.db2.gz WXTSLZZFFHUGRE-ZDUSSCGKSA-N 1 0 229.327 1.946 10 30 BDEERO CN1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545613 173151995 /nfs/dbraw/zinc/15/19/95/173151995.db2.gz JHWFULAIBYRIER-ZDUSSCGKSA-N 1 0 245.326 1.383 10 30 BDEERO C[NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000040414533 173334728 /nfs/dbraw/zinc/33/47/28/173334728.db2.gz BZRAHTNJMXQKIB-UHFFFAOYSA-N 1 0 235.312 1.266 10 30 BDEERO C[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000052076709 173341590 /nfs/dbraw/zinc/34/15/90/173341590.db2.gz GUYAZIYOYGOKJF-UHFFFAOYSA-N 1 0 203.245 1.106 10 30 BDEERO COCCCOc1ccc(C)cc1C#CC[NH3+] ZINC000037754258 174256798 /nfs/dbraw/zinc/25/67/98/174256798.db2.gz BLDFPBFTDIAIBH-UHFFFAOYSA-N 1 0 233.311 1.721 10 30 BDEERO COCC[N@H+](CCC/C(N)=N/O)[C@H](C)C1CC1 ZINC000042679923 174289493 /nfs/dbraw/zinc/28/94/93/174289493.db2.gz PEAFFVKPMXDONU-SNVBAGLBSA-N 1 0 243.351 1.260 10 30 BDEERO COc1ccc(C#CC[NH+](C)C)cc1OC ZINC000026575155 175051506 /nfs/dbraw/zinc/05/15/06/175051506.db2.gz LKVDUWKUINFEGD-UHFFFAOYSA-N 1 0 219.284 1.617 10 30 BDEERO COc1ccccc1[C@@H](C[NH3+])N(CC#N)CC#N ZINC000043096962 175346293 /nfs/dbraw/zinc/34/62/93/175346293.db2.gz OEAIDJMBELWDRC-GFCCVEGCSA-N 1 0 244.298 1.044 10 30 BDEERO C[C@@H](C[NH3+])CCC(=O)Nc1ccccc1C#N ZINC000076614572 175706302 /nfs/dbraw/zinc/70/63/02/175706302.db2.gz CTHKIQNYRQEIKZ-SNVBAGLBSA-N 1 0 231.299 1.872 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1cccc(F)c1C#N ZINC000335613283 175709557 /nfs/dbraw/zinc/70/95/57/175709557.db2.gz UMZNJRVTUMJTSH-QMMMGPOBSA-N 1 0 207.252 1.481 10 30 BDEERO C[C@@H]([NH3+])CC(=O)Nc1sccc1C#N ZINC000040852050 175803244 /nfs/dbraw/zinc/80/32/44/175803244.db2.gz OXEKSHGFWIPXPN-ZCFIWIBFSA-N 1 0 209.274 1.296 10 30 BDEERO C[C@@H](S)[C@@H]1[NH2+]CCc2c(O)cccc21 ZINC000083703579 176007374 /nfs/dbraw/zinc/00/73/74/176007374.db2.gz ZOIURIRUHOYREX-HQJQHLMTSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CCCC[C@]1(C#N)N1CCC[NH2+]CC1 ZINC000037940396 176090188 /nfs/dbraw/zinc/09/01/88/176090188.db2.gz VHDDDDMYOWAOSZ-CHWSQXEVSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)C[C@@H]1[NH+](C)C ZINC000335312240 176260440 /nfs/dbraw/zinc/26/04/40/176260440.db2.gz LEPDVSCXQOISDQ-KOLCDFICSA-N 1 0 247.298 1.173 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1[NH+](C)C ZINC000148332926 176318780 /nfs/dbraw/zinc/31/87/80/176318780.db2.gz NKLFFOUEDCXRSG-MFKMUULPSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104228691 176329644 /nfs/dbraw/zinc/32/96/44/176329644.db2.gz ZORAPFIEQXTIIB-ZWNOBZJWSA-N 1 0 243.310 1.547 10 30 BDEERO C[C@H](CC#N)N(C)CCC[NH+]1CCCC1 ZINC000063095837 176596080 /nfs/dbraw/zinc/59/60/80/176596080.db2.gz IIARSFQTHJZNHI-GFCCVEGCSA-N 1 0 209.337 1.706 10 30 BDEERO C[C@H](CC[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000336687872 176628017 /nfs/dbraw/zinc/62/80/17/176628017.db2.gz GTTVNRAFNZZRDW-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H](C[NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000076609134 176657453 /nfs/dbraw/zinc/65/74/53/176657453.db2.gz WOPPOXOVSIHPCH-VIFPVBQESA-N 1 0 217.272 1.482 10 30 BDEERO C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000124129558 177261767 /nfs/dbraw/zinc/26/17/67/177261767.db2.gz GUBDFUWVZZSIEB-WFASDCNBSA-N 1 0 243.354 1.940 10 30 BDEERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)cc(C#N)n1 ZINC000308238277 229420834 /nfs/dbraw/zinc/42/08/34/229420834.db2.gz HRRILEBHCGVTDH-ZDUSSCGKSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(NC[C@@H]2CC[NH2+]C2)cc(C#N)n1 ZINC000308236822 229420927 /nfs/dbraw/zinc/42/09/27/229420927.db2.gz FRCAOYYMOFDXLH-SNVBAGLBSA-N 1 0 216.288 1.283 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc(C#N)n1 ZINC000308241440 229422865 /nfs/dbraw/zinc/42/28/65/229422865.db2.gz PNWDDCPLVFUNIG-NOZJJQNGSA-N 1 0 230.315 1.435 10 30 BDEERO N#Cc1cnccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000399054568 262774805 /nfs/dbraw/zinc/77/48/05/262774805.db2.gz WUGYGFYEXOLOSO-DRZSPHRISA-N 1 0 242.326 1.517 10 30 BDEERO c1cc2cc(NC3=[NH+]CCN3)cnc2o1 ZINC000146307095 487799286 /nfs/dbraw/zinc/79/92/86/487799286.db2.gz ADEZWLBYWPDFFM-UHFFFAOYSA-N 1 0 202.217 1.008 10 30 BDEERO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248622161 323028225 /nfs/dbraw/zinc/02/82/25/323028225.db2.gz TXXWNZLGQYVMRE-SDDRHHMPSA-N 1 0 213.321 1.471 10 30 BDEERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C#N)n1 ZINC000308245546 323158990 /nfs/dbraw/zinc/15/89/90/323158990.db2.gz RTKWMAPVDSITBE-BXUZGUMPSA-N 1 0 242.326 1.450 10 30 BDEERO N#CC1(C[C@H](O)C[NH+]2CCCCCC2)CC1 ZINC000309359423 323344380 /nfs/dbraw/zinc/34/43/80/323344380.db2.gz NVDAFMZJGGSNKG-LBPRGKRZSA-N 1 0 222.332 1.917 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000320143623 323551695 /nfs/dbraw/zinc/55/16/95/323551695.db2.gz SPGDXBYPJNOSBQ-HTQZYQBOSA-N 1 0 249.274 1.399 10 30 BDEERO N#Cc1cccc(N2CCC(CC[NH3+])CC2)n1 ZINC000081597827 325509023 /nfs/dbraw/zinc/50/90/23/325509023.db2.gz XBOYVCGOUAKMDU-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)o1 ZINC000135482913 487973348 /nfs/dbraw/zinc/97/33/48/487973348.db2.gz CNUOQVHPAWXTFM-VHSXEESVSA-N 1 0 220.272 1.544 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378696394 488101151 /nfs/dbraw/zinc/10/11/51/488101151.db2.gz LFRHTOIHIJEOBR-GRYCIOLGSA-N 1 0 213.321 1.471 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000382575729 487546954 /nfs/dbraw/zinc/54/69/54/487546954.db2.gz DQWOEGUQSJBDIV-NEPJUHHUSA-N 1 0 222.332 1.540 10 30 BDEERO CC#CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000129811569 490170792 /nfs/dbraw/zinc/17/07/92/490170792.db2.gz UGOZCXCRYLHKNY-UONOGXRCSA-N 1 0 220.360 1.958 10 30 BDEERO C=C(Cl)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125291462 534437983 /nfs/dbraw/zinc/43/79/83/534437983.db2.gz GVIKWTVSPGPTOJ-LLVKDONJSA-N 1 0 214.740 1.909 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000261545014 534446962 /nfs/dbraw/zinc/44/69/62/534446962.db2.gz JJVPESKSZGTCAS-VHSXEESVSA-N 1 0 230.739 1.489 10 30 BDEERO C=CCCC[C@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000183052523 534759691 /nfs/dbraw/zinc/75/96/91/534759691.db2.gz ILPRHRFYJNRCHM-QWRGUYRKSA-N 1 0 212.337 1.975 10 30 BDEERO N#C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000250658976 526501743 /nfs/dbraw/zinc/50/17/43/526501743.db2.gz XZYDMOVDIBVPOL-STQMWFEESA-N 1 0 216.284 1.393 10 30 BDEERO N#Cc1nccnc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000240499923 526793840 /nfs/dbraw/zinc/79/38/40/526793840.db2.gz NOVKZAAOXJPLTP-NSHDSACASA-N 1 0 243.314 1.023 10 30 BDEERO CC(C)[NH+]1CCN(c2ccc(C#N)cc2N)CC1 ZINC000036170626 535202638 /nfs/dbraw/zinc/20/26/38/535202638.db2.gz ZPJNDJUXTXEYPN-UHFFFAOYSA-N 1 0 244.342 1.671 10 30 BDEERO CC[NH+]=C(NCC1CC1)N[C@@H]1CC1(C)C ZINC000262760896 535260419 /nfs/dbraw/zinc/26/04/19/535260419.db2.gz KRPHVZKNGPNUMH-SNVBAGLBSA-N 1 0 209.337 1.750 10 30 BDEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCOCC1 ZINC000263086852 535884813 /nfs/dbraw/zinc/88/48/13/535884813.db2.gz ILQRFZJFXAYFIF-WCQYABFASA-N 1 0 239.363 1.458 10 30 BDEERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1[NH3+] ZINC000300082309 582825706 /nfs/dbraw/zinc/82/57/06/582825706.db2.gz CZFMSPGHBJYNCV-GZMMTYOYSA-N 1 0 246.270 1.250 10 30 BDEERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000312978608 634426796 /nfs/dbraw/zinc/42/67/96/634426796.db2.gz FRHOQPNNBNKDAO-DCAQKATOSA-N 1 0 208.305 1.693 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCCCC#N)C[C@@H]1C ZINC000094996434 635400965 /nfs/dbraw/zinc/40/09/65/635400965.db2.gz VJSJAZRWOCNCLP-QWRGUYRKSA-N 1 0 224.304 1.421 10 30 BDEERO Cc1nc(C#N)cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000308469039 631355884 /nfs/dbraw/zinc/35/58/84/631355884.db2.gz JWSAEDYNIFAFEL-BXKDBHETSA-N 1 0 245.330 1.043 10 30 BDEERO C[C@H]([NH3+])CN(C)c1ccc(C#N)c(Cl)c1 ZINC000309038808 631807790 /nfs/dbraw/zinc/80/77/90/631807790.db2.gz IGFWORGXYOMDCS-QMMMGPOBSA-N 1 0 223.707 1.995 10 30 BDEERO C#CCCC[NH2+]Cc1csc(COC)n1 ZINC000309085995 631875700 /nfs/dbraw/zinc/87/57/00/631875700.db2.gz XQFZIAYKFGARRC-UHFFFAOYSA-N 1 0 224.329 1.793 10 30 BDEERO N#Cc1sc(N[C@H]2CCC[NH2+]C2)nc1Cl ZINC000236043584 632868227 /nfs/dbraw/zinc/86/82/27/632868227.db2.gz OGXFJPKVLFSBIN-LURJTMIESA-N 1 0 242.735 1.832 10 30 BDEERO Cc1nc(C#N)cc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000258761753 635195594 /nfs/dbraw/zinc/19/55/94/635195594.db2.gz JFYUVMOIAOMNCW-LLVKDONJSA-N 1 0 245.330 1.045 10 30 BDEERO Cc1cnn(CC[NH2+]CC#Cc2ccccc2)c1 ZINC000235946633 636719341 /nfs/dbraw/zinc/71/93/41/636719341.db2.gz BQQIGACOJYEQME-UHFFFAOYSA-N 1 0 239.322 1.833 10 30 BDEERO C#CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000086903122 636891772 /nfs/dbraw/zinc/89/17/72/636891772.db2.gz VRLWBUSZHXKKFC-LBPRGKRZSA-N 1 0 223.316 1.328 10 30 BDEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCCC#N ZINC000042224765 637087584 /nfs/dbraw/zinc/08/75/84/637087584.db2.gz JYWQTCVLABCNOB-LBPRGKRZSA-N 1 0 245.326 1.676 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000149582238 638659014 /nfs/dbraw/zinc/65/90/14/638659014.db2.gz GLJCVTPTXPXQQJ-BPNCWPANSA-N 1 0 246.310 1.359 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000061892593 641004527 /nfs/dbraw/zinc/00/45/27/641004527.db2.gz YNIIVLGIMUGBBT-SRVKXCTJSA-N 1 0 206.289 1.961 10 30 BDEERO CC(=O)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000083854524 643544090 /nfs/dbraw/zinc/54/40/90/643544090.db2.gz FWBORTOUNTXUFH-GFCCVEGCSA-N 1 0 220.316 1.981 10 30 BDEERO C=C(Cl)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708940020 712203384 /nfs/dbraw/zinc/20/33/84/712203384.db2.gz PYYWQTAJZHCCFT-NXEZZACHSA-N 1 0 218.728 1.177 10 30 BDEERO Cc1nnc(NC[C@H]2C[C@H]([NH3+])C2)c(C#N)c1C ZINC000715086873 712507548 /nfs/dbraw/zinc/50/75/48/712507548.db2.gz ZHQPHGQWIRTYEA-MGCOHNPYSA-N 1 0 231.303 1.114 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000721876404 710688908 /nfs/dbraw/zinc/68/89/08/710688908.db2.gz WTKGOQOFFHSCKO-LDYMZIIASA-N 1 0 246.270 1.486 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000381263195 710614180 /nfs/dbraw/zinc/61/41/80/710614180.db2.gz PUHPZCSLFIDVLA-SGMGOOAPSA-N 1 0 249.358 1.336 10 30 BDEERO C=C1CCC(C[NH2+]CC2(O)CCOCC2)CC1 ZINC000724542972 710742393 /nfs/dbraw/zinc/74/23/93/710742393.db2.gz UCCFRELBFSIZIP-UHFFFAOYSA-N 1 0 239.359 1.864 10 30 BDEERO N#Cc1ncccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723683300 711533752 /nfs/dbraw/zinc/53/37/52/711533752.db2.gz OGVAZVZKMTWGKW-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1cc(N2CC[C@H](CC[NH3+])C2)ccn1 ZINC000723683596 711534047 /nfs/dbraw/zinc/53/40/47/711534047.db2.gz QWXSRSLCRPJLDZ-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)cc(C#N)n1 ZINC000723782645 711537259 /nfs/dbraw/zinc/53/72/59/711537259.db2.gz UKEKLANHESRQTB-KOLCDFICSA-N 1 0 230.315 1.529 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000723892166 711543804 /nfs/dbraw/zinc/54/38/04/711543804.db2.gz PMLKSTCAMOMERX-DGCLKSJQSA-N 1 0 229.327 1.979 10 30 BDEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C#N)cc1 ZINC000721937791 711941038 /nfs/dbraw/zinc/94/10/38/711941038.db2.gz HSJLGBCAORHXFC-LBPRGKRZSA-N 1 0 215.300 1.968 10 30 BDEERO COCC1CC([NH2+]Cc2ccc(C#N)o2)C1 ZINC000714007667 712477495 /nfs/dbraw/zinc/47/74/95/712477495.db2.gz MZWOPMPSTUFVHA-UHFFFAOYSA-N 1 0 220.272 1.666 10 30 BDEERO N#Cc1c(F)cccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715146216 712512275 /nfs/dbraw/zinc/51/22/75/712512275.db2.gz KQPITSHXGFHXAT-DTORHVGOSA-N 1 0 219.263 1.847 10 30 BDEERO C[C@H](C#N)OCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000379895253 712621356 /nfs/dbraw/zinc/62/13/56/712621356.db2.gz GRMCWGRWCVJRJP-MXWKQRLJSA-N 1 0 212.293 1.072 10 30 BDEERO Cc1nnc(N2C[C@H]([NH3+])C(C)(C)C2)c(C#N)c1C ZINC000720823404 712867534 /nfs/dbraw/zinc/86/75/34/712867534.db2.gz BXSGEOZOJJFCKT-NSHDSACASA-N 1 0 245.330 1.139 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cc2F)C[C@@H]1[NH3+] ZINC000720818259 712868118 /nfs/dbraw/zinc/86/81/18/712868118.db2.gz OERKWXIMLGVWNG-LBPRGKRZSA-N 1 0 233.290 1.871 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C#N)cn1 ZINC000721097832 712891119 /nfs/dbraw/zinc/89/11/19/712891119.db2.gz OPFLQIJFIOBFCE-ZYHUDNBSSA-N 1 0 230.315 1.611 10 30 BDEERO C[N+](C)(CC#N)[C@@H](C#N)c1ccccc1 ZINC000135695589 717150520 /nfs/dbraw/zinc/15/05/20/717150520.db2.gz IDJMPIXFVWIEDO-LBPRGKRZSA-N 1 0 200.265 1.851 10 30 BDEERO C=C[C@H](C)NCC(F)(F)C(=O)OCC ZINC000685956902 538901764 /nfs/dbraw/zinc/90/17/64/538901764.db2.gz JCYDBQYFDHWYAK-ZETCQYMHSA-N 1 0 207.220 1.349 10 30 BDEERO CC#CCC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961438 538908495 /nfs/dbraw/zinc/90/84/95/538908495.db2.gz IAPROLPLQQNQJC-CQSZACIVSA-N 1 0 244.338 1.428 10 30 BDEERO C=CCC[C@H](CO)[NH2+]Cc1cnn(C)c1C ZINC000320302886 398151422 /nfs/dbraw/zinc/15/14/22/398151422.db2.gz SJJRVMZWEFAORI-GFCCVEGCSA-N 1 0 223.320 1.145 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000308999123 136217194 /nfs/dbraw/zinc/21/71/94/136217194.db2.gz NLNOGLHYJHLOJK-OUAUKWLOSA-N 1 0 210.321 1.675 10 30 BDEERO Cc1cc(N2CC([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000301927729 178112693 /nfs/dbraw/zinc/11/26/93/178112693.db2.gz ZJWCUHYUCDOYDN-UHFFFAOYSA-N 1 0 230.315 1.320 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000308268707 178121208 /nfs/dbraw/zinc/12/12/08/178121208.db2.gz CUTRWXWGROTUJA-QMTHXVAHSA-N 1 0 244.342 1.648 10 30 BDEERO Cn1cc(C[NH2+]CC2(CO)CCC2)cc1C#N ZINC000191590352 136228654 /nfs/dbraw/zinc/22/86/54/136228654.db2.gz SDDTYJQIBCHWCL-UHFFFAOYSA-N 1 0 233.315 1.149 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@H](C[NH3+])C2)c1 ZINC000051581443 178363328 /nfs/dbraw/zinc/36/33/28/178363328.db2.gz NBELHCJCDFKJDM-LLVKDONJSA-N 1 0 215.300 1.652 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000226069392 178363599 /nfs/dbraw/zinc/36/35/99/178363599.db2.gz BVRSIAMEFVYZPU-GWCFXTLKSA-N 1 0 244.342 1.648 10 30 BDEERO CCC(CC)[N@H+](CCOC)[C@@H](C)C/C(N)=N/O ZINC000042679917 168373407 /nfs/dbraw/zinc/37/34/07/168373407.db2.gz UTFCNWUIVSFWBO-JTQLQIEISA-N 1 0 245.367 1.648 10 30 BDEERO CCC(CC)NC(=O)CN(CC)C[C@@H](C)C#N ZINC000042287647 168377296 /nfs/dbraw/zinc/37/72/96/168377296.db2.gz BLQQMFXZQGPUEP-NSHDSACASA-N 1 0 239.363 1.773 10 30 BDEERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])cc(C#N)n1 ZINC000320982987 342748797 /nfs/dbraw/zinc/74/87/97/342748797.db2.gz XSJSRMUUCDQGBR-DTWKUNHWSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)nc1 ZINC000320779580 342739546 /nfs/dbraw/zinc/73/95/46/342739546.db2.gz ZONYWLQOGLNVGZ-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO C=CC[N@H+]1CC[C@H](c2nccc(OC)n2)C1 ZINC000145385233 342761305 /nfs/dbraw/zinc/76/13/05/342761305.db2.gz KXMFBMXNQLNAII-JTQLQIEISA-N 1 0 219.288 1.461 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000380132792 538985657 /nfs/dbraw/zinc/98/56/57/538985657.db2.gz TYXJCLJZHLBTJZ-TUAOUCFPSA-N 1 0 213.321 1.328 10 30 BDEERO C#CCOc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000217914534 342866998 /nfs/dbraw/zinc/86/69/98/342866998.db2.gz XENIOXWJBNPAQM-UHFFFAOYSA-N 1 0 244.338 1.622 10 30 BDEERO C=C(Br)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235577212 344008273 /nfs/dbraw/zinc/00/82/73/344008273.db2.gz IQZDICDQVFSDDN-XPUUQOCRSA-N 1 0 219.126 1.174 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335622114 398342051 /nfs/dbraw/zinc/34/20/51/398342051.db2.gz ZSBWNSYPCVAYJA-RYUDHWBXSA-N 1 0 206.289 1.615 10 30 BDEERO C=CCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000117871796 133452866 /nfs/dbraw/zinc/45/28/66/133452866.db2.gz NUYZGPYBDPUTDR-LLVKDONJSA-N 1 0 210.321 1.505 10 30 BDEERO CC[NH+](CC)CC#CCN1C(=O)CC[C@@H]1C ZINC000027761901 187207950 /nfs/dbraw/zinc/20/79/50/187207950.db2.gz JAQGGIPGDYWRJW-LBPRGKRZSA-N 1 0 222.332 1.343 10 30 BDEERO C=CC[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000033465467 187208137 /nfs/dbraw/zinc/20/81/37/187208137.db2.gz MYIJZTRLYXHQMA-ZDUSSCGKSA-N 1 0 235.327 1.819 10 30 BDEERO C#Cc1ccc(N(C)CCC[NH+](C)C)c(N)c1 ZINC000202229031 343117987 /nfs/dbraw/zinc/11/79/87/343117987.db2.gz JLVQZRJAZMEELL-UHFFFAOYSA-N 1 0 231.343 1.638 10 30 BDEERO C[Si](C)(C)C#C[C@@]1(O)C[NH+]2CCC1CC2 ZINC000203588467 343121836 /nfs/dbraw/zinc/12/18/36/343121836.db2.gz QEKVBDSVLTUEDR-GFCCVEGCSA-N 1 0 223.392 1.324 10 30 BDEERO C#CCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000270605804 187237018 /nfs/dbraw/zinc/23/70/18/187237018.db2.gz MLPFXGGGHVHLJW-GFCCVEGCSA-N 1 0 203.289 1.580 10 30 BDEERO N[NH+]=C(N)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127128479 343233484 /nfs/dbraw/zinc/23/34/84/343233484.db2.gz CSCTZFZFVCFOPY-NTSWFWBYSA-N 1 0 209.215 1.586 10 30 BDEERO N#C[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000019270721 187251549 /nfs/dbraw/zinc/25/15/49/187251549.db2.gz SGYHKZYHRAUWMA-SNVBAGLBSA-N 1 0 207.302 1.218 10 30 BDEERO O=CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000054238956 343422826 /nfs/dbraw/zinc/42/28/26/343422826.db2.gz FUHWJGFTPCXRSD-NWDGAFQWSA-N 1 0 211.305 1.201 10 30 BDEERO CC(C)(C[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000037935093 187261305 /nfs/dbraw/zinc/26/13/05/187261305.db2.gz BWYJUMSLKIBRSL-UHFFFAOYSA-N 1 0 245.326 1.194 10 30 BDEERO CN1CC[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000616638382 343528831 /nfs/dbraw/zinc/52/88/31/343528831.db2.gz YHDIRESDLLUXRM-GFCCVEGCSA-N 1 0 201.273 1.134 10 30 BDEERO N#Cc1ccnc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310917210 343598837 /nfs/dbraw/zinc/59/88/37/343598837.db2.gz ZMUKCNMBJOOWHX-BETUJISGSA-N 1 0 242.326 1.389 10 30 BDEERO CCC[C@@H](C#N)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053246049 187271375 /nfs/dbraw/zinc/27/13/75/187271375.db2.gz BNPWXKVAHROSPX-NWDGAFQWSA-N 1 0 237.347 1.479 10 30 BDEERO CCC[C@@H](C#N)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053246051 187271424 /nfs/dbraw/zinc/27/14/24/187271424.db2.gz BNPWXKVAHROSPX-RYUDHWBXSA-N 1 0 237.347 1.479 10 30 BDEERO N#C[C@H](c1ccc(Cl)cc1)N1CC([NH3+])C1 ZINC000409440857 343856058 /nfs/dbraw/zinc/85/60/58/343856058.db2.gz MLDFXCMYVOIGKS-LLVKDONJSA-N 1 0 221.691 1.548 10 30 BDEERO N#C[C@H](c1cccc(F)c1)N1CC(C[NH3+])C1 ZINC000409442633 343859472 /nfs/dbraw/zinc/85/94/72/343859472.db2.gz YKSTZQMLWHFKJF-GFCCVEGCSA-N 1 0 219.263 1.281 10 30 BDEERO C#CCn1nc(-c2cccnc2)cc1C[NH3+] ZINC000409443896 343863519 /nfs/dbraw/zinc/86/35/19/343863519.db2.gz WGCXITDPUCBYIM-UHFFFAOYSA-N 1 0 212.256 1.037 10 30 BDEERO C#CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128514812 344206610 /nfs/dbraw/zinc/20/66/10/344206610.db2.gz VTAPDFPNLAXOEU-NWDGAFQWSA-N 1 0 203.289 1.590 10 30 BDEERO C=CCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770215 344285469 /nfs/dbraw/zinc/28/54/69/344285469.db2.gz DDUVQVXTOIWXRF-JQWIXIFHSA-N 1 0 208.305 1.021 10 30 BDEERO CC[C@@H]1CN(c2ccnc(C#N)c2)CC[C@H]1[NH3+] ZINC000251857104 344467239 /nfs/dbraw/zinc/46/72/39/344467239.db2.gz SJEJOSMTMRCJDT-ZWNOBZJWSA-N 1 0 230.315 1.517 10 30 BDEERO CS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054825928 344472471 /nfs/dbraw/zinc/47/24/71/344472471.db2.gz ITEZJYUESPPUTH-QWRGUYRKSA-N 1 0 244.360 1.093 10 30 BDEERO C#CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000051075005 166206651 /nfs/dbraw/zinc/20/66/51/166206651.db2.gz LJSYBGGZWRIJDM-GFCCVEGCSA-N 1 0 233.311 1.858 10 30 BDEERO Cc1nnc(N[C@@H](C)[C@H](C)[NH3+])c(C#N)c1C ZINC000381640742 344529179 /nfs/dbraw/zinc/52/91/79/344529179.db2.gz WXRKNLKSHKQPJZ-CBAPKCEASA-N 1 0 219.292 1.113 10 30 BDEERO C[C@]1(O)CCC[N@H+](CCCS)CC1 ZINC000230384483 344569562 /nfs/dbraw/zinc/56/95/62/344569562.db2.gz LQVXMIANDPGQOI-JTQLQIEISA-N 1 0 203.351 1.543 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000381727335 344583048 /nfs/dbraw/zinc/58/30/48/344583048.db2.gz KMLLZKFYZCAVAC-ZJUUUORDSA-N 1 0 240.310 1.676 10 30 BDEERO C[NH2+]C[C@@H]1CCN(c2cc(C)nc(C#N)c2)C1 ZINC000308245266 529993066 /nfs/dbraw/zinc/99/30/66/529993066.db2.gz QXSCPLZIGKEIDK-NSHDSACASA-N 1 0 230.315 1.307 10 30 BDEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104228696 187292094 /nfs/dbraw/zinc/29/20/94/187292094.db2.gz ZORAPFIEQXTIIB-GXFFZTMASA-N 1 0 243.310 1.547 10 30 BDEERO C[C@@H]1CN(C/C=C/CS)C[C@H](C)[N@H+]1C ZINC000127974432 344701918 /nfs/dbraw/zinc/70/19/18/344701918.db2.gz PQCDGQCHIGNTRO-UZPIOYONSA-N 1 0 214.378 1.497 10 30 BDEERO CN(C)c1ccc(C#CCN2CC[NH2+]CC2)cc1 ZINC000037547745 187293369 /nfs/dbraw/zinc/29/33/69/187293369.db2.gz NNZBGFVYODEBNX-UHFFFAOYSA-N 1 0 243.354 1.009 10 30 BDEERO C[C@@]1(O)CC[N@H+](CC2(C=O)CCCC2)C1 ZINC000235453776 344917461 /nfs/dbraw/zinc/91/74/61/344917461.db2.gz VZHZPSDFUOEQAU-LLVKDONJSA-N 1 0 211.305 1.202 10 30 BDEERO C=CC[C@H]([NH3+])C(=O)Nc1nc(C)cs1 ZINC000128119906 344956539 /nfs/dbraw/zinc/95/65/39/344956539.db2.gz MHQFPRQPTQTIFX-ZETCQYMHSA-N 1 0 211.290 1.293 10 30 BDEERO Cc1ccc([C@@H](C#N)N2CC[NH2+]CC2)c(C)c1 ZINC000019266259 178831329 /nfs/dbraw/zinc/83/13/29/178831329.db2.gz UXLVGSGBJSHMTJ-CQSZACIVSA-N 1 0 229.327 1.773 10 30 BDEERO COc1ccc(CCC(C)N=NC(N)=[NH2+])cc1 ZINC000252447389 345519286 /nfs/dbraw/zinc/51/92/86/345519286.db2.gz JWJCYOLXSRBLKK-UHFFFAOYSA-N 1 0 234.303 1.487 10 30 BDEERO CC(C)(CCC#N)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000174362270 535006774 /nfs/dbraw/zinc/00/67/74/535006774.db2.gz VTCRPRZIBGFCJO-NSHDSACASA-N 1 0 247.346 1.512 10 30 BDEERO C[C@@H]1CCCN(c2ccc(C#N)cn2)[C@H]1C[NH3+] ZINC000252217650 345807741 /nfs/dbraw/zinc/80/77/41/345807741.db2.gz YDMJSVOHPSIWOP-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1C#N ZINC000300358117 345795566 /nfs/dbraw/zinc/79/55/66/345795566.db2.gz BPYUCMXNIXNWKJ-TUAOUCFPSA-N 1 0 207.321 1.362 10 30 BDEERO C#C[C@H]([NH2+]Cc1c(C)nn(C)c1OC)C(C)C ZINC000289330849 166218969 /nfs/dbraw/zinc/21/89/69/166218969.db2.gz GTOHHYLNTQKMEA-LBPRGKRZSA-N 1 0 235.331 1.485 10 30 BDEERO C#CCn1ncc2c1ncnc2SC ZINC000001655124 187364865 /nfs/dbraw/zinc/36/48/65/187364865.db2.gz LZIZCEMJICXOAR-UHFFFAOYSA-N 1 0 204.258 1.181 10 30 BDEERO SCCc1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000083347544 187319240 /nfs/dbraw/zinc/31/92/40/187319240.db2.gz IUZJJYILAHMBJA-SSDOTTSWSA-N 1 0 213.306 1.009 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000381846216 346574721 /nfs/dbraw/zinc/57/47/21/346574721.db2.gz YXDWTUYWXNFYOF-BDAKNGLRSA-N 1 0 241.298 1.649 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cncc(C#N)n1 ZINC000401511432 346764617 /nfs/dbraw/zinc/76/46/17/346764617.db2.gz MLWTUPGPPQYRAX-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cn1 ZINC000092631286 347211466 /nfs/dbraw/zinc/21/14/66/347211466.db2.gz RZEPVATVVGYXAC-CYBMUJFWSA-N 1 0 244.342 1.874 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1nccnc1C#N ZINC000133571617 136750364 /nfs/dbraw/zinc/75/03/64/136750364.db2.gz DXRRYOHALFCIDR-JTQLQIEISA-N 1 0 233.319 1.158 10 30 BDEERO C=C(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616569122 347575697 /nfs/dbraw/zinc/57/56/97/347575697.db2.gz GKYYARYOHAFRRM-UONOGXRCSA-N 1 0 244.338 1.906 10 30 BDEERO C[C@@H]([NH3+])CCNc1cccc(F)c1C#N ZINC000063171777 347657024 /nfs/dbraw/zinc/65/70/24/347657024.db2.gz MYCCUJWSDBEGOC-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO Cc1cc(C#N)cc(NCCC[NH2+]C(C)C)n1 ZINC000591427426 347658754 /nfs/dbraw/zinc/65/87/54/347658754.db2.gz DMXYRIZHAKLRAZ-UHFFFAOYSA-N 1 0 232.331 1.484 10 30 BDEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000049525933 179337301 /nfs/dbraw/zinc/33/73/01/179337301.db2.gz XXDXHEWIBNRDRB-NSHDSACASA-N 1 0 231.299 1.285 10 30 BDEERO CC(C)[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594427464 348043819 /nfs/dbraw/zinc/04/38/19/348043819.db2.gz UUPANFFKRAOUQN-GHMZBOCLSA-N 1 0 225.336 1.558 10 30 BDEERO N#Cc1cc(NCC2([NH3+])CCCC2)ccn1 ZINC000594694424 348101251 /nfs/dbraw/zinc/10/12/51/348101251.db2.gz PJCBDSUBWJJHPY-UHFFFAOYSA-N 1 0 216.288 1.059 10 30 BDEERO N#CCC(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616571566 348199983 /nfs/dbraw/zinc/19/99/83/348199983.db2.gz MAHZPQZDEFBOBC-NSHDSACASA-N 1 0 235.331 1.410 10 30 BDEERO Cc1nc(NC[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000309096879 349985157 /nfs/dbraw/zinc/98/51/57/349985157.db2.gz DEKCKJBBNREWRP-LURJTMIESA-N 1 0 224.695 1.674 10 30 BDEERO C[NH2+]C[C@H](C)Nc1cc(C#N)cc(C)n1 ZINC000596031148 348426636 /nfs/dbraw/zinc/42/66/36/348426636.db2.gz ADETZEQHPQYTMN-VIFPVBQESA-N 1 0 204.277 1.282 10 30 BDEERO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000308905256 349061968 /nfs/dbraw/zinc/06/19/68/349061968.db2.gz LGZBLSLVPVWDLU-IJLUTSLNSA-N 1 0 210.321 1.771 10 30 BDEERO Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1C#N ZINC000291955380 180005645 /nfs/dbraw/zinc/00/56/45/180005645.db2.gz NTZMPANZUALEHY-GXFFZTMASA-N 1 0 244.342 1.648 10 30 BDEERO CC#CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000155712211 191081590 /nfs/dbraw/zinc/08/15/90/191081590.db2.gz MIEVZEWECYBRAO-CYBMUJFWSA-N 1 0 232.331 1.404 10 30 BDEERO CC[C@@H](C)NC1(C#N)CCC2(CC1)OCCO2 ZINC000038064558 350301675 /nfs/dbraw/zinc/30/16/75/350301675.db2.gz SFQIULAFBANKAR-LLVKDONJSA-N 1 0 238.331 1.954 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)cn1 ZINC000070010953 350493205 /nfs/dbraw/zinc/49/32/05/350493205.db2.gz FKFJYTIBBGAEPX-JTQLQIEISA-N 1 0 204.277 1.348 10 30 BDEERO Cc1nnc(N[C@H](C)CCCC[NH3+])c(C#N)c1C ZINC000336788971 180436587 /nfs/dbraw/zinc/43/65/87/180436587.db2.gz IASSQQNXQGCNDS-SECBINFHSA-N 1 0 247.346 1.895 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCCC[C@H]1O ZINC000052013784 350887081 /nfs/dbraw/zinc/88/70/81/350887081.db2.gz ZCUXZBQVSABKFV-DTWKUNHWSA-N 1 0 234.137 1.788 10 30 BDEERO C#Cc1nc([C@@H]2CCC[NH2+]C2)sc1C ZINC000159706130 350980594 /nfs/dbraw/zinc/98/05/94/350980594.db2.gz NOLQHVVTTHGZGH-SECBINFHSA-N 1 0 206.314 1.900 10 30 BDEERO O=C[C@H]1CCCCN1Cc1cncs1 ZINC000159766825 350990793 /nfs/dbraw/zinc/99/07/93/350990793.db2.gz WIXDFCQOCIEGOI-SECBINFHSA-N 1 0 210.302 1.697 10 30 BDEERO N#Cc1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616621858 351084656 /nfs/dbraw/zinc/08/46/56/351084656.db2.gz ZYOHKPVWGGNVEH-CQSZACIVSA-N 1 0 229.327 1.696 10 30 BDEERO N#Cc1cccc([C@@H]2COCCCN2CC[NH3+])c1 ZINC000616644567 351161514 /nfs/dbraw/zinc/16/15/14/351161514.db2.gz FKMAPSMIOCVYKJ-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO CN1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616676702 351241753 /nfs/dbraw/zinc/24/17/53/351241753.db2.gz ICVPRBATQAHQTI-GFCCVEGCSA-N 1 0 202.257 1.561 10 30 BDEERO C=CC[NH2+]CC(=O)NCc1ccccc1 ZINC000034937053 351351352 /nfs/dbraw/zinc/35/13/52/351351352.db2.gz YFCOINAGJDQYEW-UHFFFAOYSA-N 1 0 204.273 1.078 10 30 BDEERO CN/C(=[NH+]/C)N1CCS[C@H](C)[C@H]1C ZINC000307047011 351445746 /nfs/dbraw/zinc/44/57/46/351445746.db2.gz ZIUPFIOSCWFZBS-HTQZYQBOSA-N 1 0 201.339 1.017 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cc(C#N)ccn1 ZINC000133627316 351411856 /nfs/dbraw/zinc/41/18/56/351411856.db2.gz SAZQQYMRDHXKGS-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO C[C@@H]1C(N=NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307108399 351483876 /nfs/dbraw/zinc/48/38/76/351483876.db2.gz GFAGVGQTHKEBJV-RXLYCMMBSA-N 1 0 245.330 1.120 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638454829 352264264 /nfs/dbraw/zinc/26/42/64/352264264.db2.gz LJUPUCQDQSRURD-WDEREUQCSA-N 1 0 224.348 1.832 10 30 BDEERO C=CCN(CC[NH3+])Cc1cccc(F)c1 ZINC000076584441 166342474 /nfs/dbraw/zinc/34/24/74/166342474.db2.gz RKHSJMWVONBOID-UHFFFAOYSA-N 1 0 208.280 1.772 10 30 BDEERO C=CCC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336742254 352396087 /nfs/dbraw/zinc/39/60/87/352396087.db2.gz OBOSHHDIWDGLPJ-MNOVXSKESA-N 1 0 224.348 1.988 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336742255 352396292 /nfs/dbraw/zinc/39/62/92/352396292.db2.gz OBOSHHDIWDGLPJ-QWRGUYRKSA-N 1 0 224.348 1.988 10 30 BDEERO C[C@H](C[NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000420210440 192175912 /nfs/dbraw/zinc/17/59/12/192175912.db2.gz DGJHAMBBTSIDMC-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383433240 352979513 /nfs/dbraw/zinc/97/95/13/352979513.db2.gz IEUGMBADCGBTEE-QMMMGPOBSA-N 1 0 241.245 1.051 10 30 BDEERO N#Cc1cccc(-c2ccc(C[NH3+])cn2)n1 ZINC000072204189 187940327 /nfs/dbraw/zinc/94/03/27/187940327.db2.gz PSGBZZGDOYHBQQ-UHFFFAOYSA-N 1 0 210.240 1.474 10 30 BDEERO Cc1cc(C)n(Cc2cccc(C#CC[NH3+])c2)n1 ZINC000049610100 188045698 /nfs/dbraw/zinc/04/56/98/188045698.db2.gz SSEWOKJSHHRKGE-UHFFFAOYSA-N 1 0 239.322 1.858 10 30 BDEERO C#Cc1cccc(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061300281 188049866 /nfs/dbraw/zinc/04/98/66/188049866.db2.gz IFTRGWXRJDLAHS-UHFFFAOYSA-N 1 0 216.284 1.604 10 30 BDEERO CC#CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000167701482 188059019 /nfs/dbraw/zinc/05/90/19/188059019.db2.gz VDRUYWNXQRUUSO-GFCCVEGCSA-N 1 0 201.269 1.992 10 30 BDEERO C=C(Br)CO[C@H]1CCC[C@H]1[NH3+] ZINC000131345397 353373668 /nfs/dbraw/zinc/37/36/68/353373668.db2.gz JRHDBVMCSYGHEQ-SFYZADRCSA-N 1 0 220.110 1.791 10 30 BDEERO C[C@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100127 353379697 /nfs/dbraw/zinc/37/96/97/353379697.db2.gz VMPFKFKCHDCEOE-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@H](C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062052134 353541292 /nfs/dbraw/zinc/54/12/92/353541292.db2.gz CTFTWPMNKZJVFH-GFCCVEGCSA-N 1 0 221.348 1.706 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1ccnc(C#N)c1 ZINC000320735969 259446150 /nfs/dbraw/zinc/44/61/50/259446150.db2.gz 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C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C#N)c1 ZINC000229585332 372169804 /nfs/dbraw/zinc/16/98/04/372169804.db2.gz OKFCVPURKCBEDR-MFKMUULPSA-N 1 0 243.310 1.429 10 30 BDEERO C=C(Br)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000069629875 373551232 /nfs/dbraw/zinc/55/12/32/373551232.db2.gz JFUYZWBUUQKSDJ-IUCAKERBSA-N 1 0 233.153 1.577 10 30 BDEERO CCN(CCC#N)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000042961863 169815269 /nfs/dbraw/zinc/81/52/69/169815269.db2.gz MLNTZUYIZMBNBX-AWEZNQCLSA-N 1 0 247.342 1.931 10 30 BDEERO O[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000052015470 183232271 /nfs/dbraw/zinc/23/22/71/183232271.db2.gz VMSMYHQMZJTVEM-CABCVRRESA-N 1 0 229.323 1.931 10 30 BDEERO CCCOCCOc1cccc(C#CC[NH3+])c1 ZINC000049611047 169309597 /nfs/dbraw/zinc/30/95/97/169309597.db2.gz JWYNIXXNCXLKPQ-UHFFFAOYSA-N 1 0 233.311 1.802 10 30 BDEERO CCC[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000104015019 169343379 /nfs/dbraw/zinc/34/33/79/169343379.db2.gz PRVSFKBIBIAPSC-QWHCGFSZSA-N 1 0 249.358 1.623 10 30 BDEERO CCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185134976 134371620 /nfs/dbraw/zinc/37/16/20/134371620.db2.gz BCYWTNAHMHJXHR-CHWSQXEVSA-N 1 0 229.364 1.774 10 30 BDEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000336172982 383984158 /nfs/dbraw/zinc/98/41/58/383984158.db2.gz LSOGPPLVWQLWSK-GZMMTYOYSA-N 1 0 249.339 1.376 10 30 BDEERO Cc1ccnc(NCC2CC[NH2+]CC2)c1C#N ZINC000135197012 384174843 /nfs/dbraw/zinc/17/48/43/384174843.db2.gz JHUSRXFESHUYOH-UHFFFAOYSA-N 1 0 230.315 1.673 10 30 BDEERO C#CCCNC(=[NH+]C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261621816 533044699 /nfs/dbraw/zinc/04/46/99/533044699.db2.gz BLFSVTHROQOGEJ-BETUJISGSA-N 1 0 233.359 1.707 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000394620265 384236016 /nfs/dbraw/zinc/23/60/16/384236016.db2.gz PSGLJWWJHTWCFW-ZJUUUORDSA-N 1 0 240.310 1.676 10 30 BDEERO CC[C@H]([NH3+])CNc1cc(C#N)cc(C)n1 ZINC000157682676 384253103 /nfs/dbraw/zinc/25/31/03/384253103.db2.gz GQJGADCJGVESIP-JTQLQIEISA-N 1 0 204.277 1.411 10 30 BDEERO Cc1ccc(C#N)c(N2CCC(CC[NH3+])CC2)n1 ZINC000070188676 384470795 /nfs/dbraw/zinc/47/07/95/384470795.db2.gz SRVPZMGSQKGGSU-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO Cc1nnc(N[C@@H](C)C[C@@H](C)[NH3+])c(C#N)c1C ZINC000320767836 384871835 /nfs/dbraw/zinc/87/18/35/384871835.db2.gz CCDIBGKLTSADGE-SFYZADRCSA-N 1 0 233.319 1.503 10 30 BDEERO Cc1ccnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C#N ZINC000311194008 384862855 /nfs/dbraw/zinc/86/28/55/384862855.db2.gz HAWJTGKRSRGEEZ-BXUZGUMPSA-N 1 0 244.342 1.683 10 30 BDEERO C[C@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1C#N ZINC000310555465 385114481 /nfs/dbraw/zinc/11/44/81/385114481.db2.gz YCPAQSRLKOGTRM-SSDOTTSWSA-N 1 0 235.247 1.011 10 30 BDEERO N#CCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107795111 385213811 /nfs/dbraw/zinc/21/38/11/385213811.db2.gz OKXWJQJNUJHTHI-ZDUSSCGKSA-N 1 0 221.348 1.850 10 30 BDEERO CCC[NH2+]CCNc1cc(C)nc(C#N)c1 ZINC000308246004 385413888 /nfs/dbraw/zinc/41/38/88/385413888.db2.gz UQBFOWAFRNUIIQ-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO C=CCOC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000498050511 385536142 /nfs/dbraw/zinc/53/61/42/385536142.db2.gz JIXMEXHXBPOKPK-UHFFFAOYSA-N 1 0 238.331 1.775 10 30 BDEERO C[C@@H]1C[NH+](CC[C@@H]2CO2)C[C@@H](C)S1 ZINC000307058400 385884842 /nfs/dbraw/zinc/88/48/42/385884842.db2.gz FXXWZDNWNPXQOX-OPRDCNLKSA-N 1 0 201.335 1.601 10 30 BDEERO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000320291699 386142601 /nfs/dbraw/zinc/14/26/01/386142601.db2.gz QPYPZJKRKKYZLU-QJPTWQEYSA-N 1 0 213.321 1.207 10 30 BDEERO C[C@@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100131 386217673 /nfs/dbraw/zinc/21/76/73/386217673.db2.gz TYWPXBWKNHSUQY-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c(C#N)cn1 ZINC000398977536 386280185 /nfs/dbraw/zinc/28/01/85/386280185.db2.gz DNGGGXMHGHEKPT-GFCCVEGCSA-N 1 0 244.342 1.827 10 30 BDEERO Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)c(C#N)cn1 ZINC000399001982 386504570 /nfs/dbraw/zinc/50/45/70/386504570.db2.gz SYSPDZLWXVIESA-AWEZNQCLSA-N 1 0 244.342 1.485 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000399225845 386512615 /nfs/dbraw/zinc/51/26/15/386512615.db2.gz YSQNQNLWRPEJHM-SMDDNHRTSA-N 1 0 230.311 1.903 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1ccnc(C#N)c1 ZINC000309476641 386664979 /nfs/dbraw/zinc/66/49/79/386664979.db2.gz VLUGSMFXLKHRNU-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000336670434 386804143 /nfs/dbraw/zinc/80/41/43/386804143.db2.gz HGZGFEVHLIXLBA-VOAKCMCISA-N 1 0 222.332 1.819 10 30 BDEERO C[C@@H]1SCC[N@@H+](C(C)(C)C=O)[C@H]1C ZINC000307636944 386961927 /nfs/dbraw/zinc/96/19/27/386961927.db2.gz VLDSRUUQPBWZLO-IUCAKERBSA-N 1 0 201.335 1.790 10 30 BDEERO C[C@@H]1C[C@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575513100 387385266 /nfs/dbraw/zinc/38/52/66/387385266.db2.gz ZHEMFRJBCDWJDG-TZMCWYRMSA-N 1 0 229.327 1.810 10 30 BDEERO CC(C)[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424071690 387476380 /nfs/dbraw/zinc/47/63/80/387476380.db2.gz BUNGXMGEPFNYBR-VHSXEESVSA-N 1 0 211.309 1.168 10 30 BDEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1C#N ZINC000295058777 387835197 /nfs/dbraw/zinc/83/51/97/387835197.db2.gz QCDKMGHSSRWXOA-RISCZKNCSA-N 1 0 230.311 1.903 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000302881306 388346165 /nfs/dbraw/zinc/34/61/65/388346165.db2.gz IXYOUYQHMGTUIZ-ZDUSSCGKSA-N 1 0 240.310 1.570 10 30 BDEERO C[C@@H](CC[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000310437419 388669415 /nfs/dbraw/zinc/66/94/15/388669415.db2.gz ROMBRNDKPOVCLN-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO CC1CC(C#N)(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)C1 ZINC000124181493 388661148 /nfs/dbraw/zinc/66/11/48/388661148.db2.gz HDRZVPRDILWNIR-BEVNXUHPSA-N 1 0 249.358 1.335 10 30 BDEERO CN(C[C@H]1CCCC[NH2+]1)c1ncccc1C#N ZINC000095070811 388757560 /nfs/dbraw/zinc/75/75/60/388757560.db2.gz QCGYYQQVWNBHJO-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO CN(C[C@@H]1CCC[NH2+]1)c1ncccc1C#N ZINC000095070950 388757964 /nfs/dbraw/zinc/75/79/64/388757964.db2.gz AAZVLONTPDEKFM-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO N#C[C@@H]1CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575469256 388843531 /nfs/dbraw/zinc/84/35/31/388843531.db2.gz YCKTXWLLTWYCCC-LBPRGKRZSA-N 1 0 228.299 1.556 10 30 BDEERO C[C@@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000575495996 388965625 /nfs/dbraw/zinc/96/56/25/388965625.db2.gz CJYUMYDAUWZKQM-SKDRFNHKSA-N 1 0 239.319 1.545 10 30 BDEERO CC#CC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273108206 389037105 /nfs/dbraw/zinc/03/71/05/389037105.db2.gz NHGXCGBHKFOQBY-GFCCVEGCSA-N 1 0 223.703 1.986 10 30 BDEERO N#Cc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000084445999 322835202 /nfs/dbraw/zinc/83/52/02/322835202.db2.gz FPYUTEKFGHNKAN-UHFFFAOYSA-N 1 0 216.284 1.419 10 30 BDEERO C=CC[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000041296534 132224102 /nfs/dbraw/zinc/22/41/02/132224102.db2.gz SEXMOEADEIJMTC-UHFFFAOYSA-N 1 0 245.370 1.584 10 30 BDEERO C[C@@H]1CCCN(c2ccc(C#N)nc2)[C@@H]1C[NH3+] ZINC000129892281 132233772 /nfs/dbraw/zinc/23/37/72/132233772.db2.gz GSDOPNQHVZUAQL-ZWNOBZJWSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1C#N ZINC000302644683 132265108 /nfs/dbraw/zinc/26/51/08/132265108.db2.gz LYWVURJOLWOBHB-GFCCVEGCSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1cnccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364329630 132311792 /nfs/dbraw/zinc/31/17/92/132311792.db2.gz WYWZIFYUXBEMEO-GFCCVEGCSA-N 1 0 228.299 1.238 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC([NH3+])CC1 ZINC000036754941 132342577 /nfs/dbraw/zinc/34/25/77/132342577.db2.gz KQIGJANBMFKGTL-UHFFFAOYSA-N 1 0 246.270 1.394 10 30 BDEERO CCOC1CC([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000169197855 134249234 /nfs/dbraw/zinc/24/92/34/134249234.db2.gz XKEKNPXIUOGCMH-XKGSQUFQSA-N 1 0 208.305 1.836 10 30 BDEERO C[NH+]=C(NCc1cc(C)no1)N[C@@H](C)C(C)C ZINC000171616122 134257332 /nfs/dbraw/zinc/25/73/32/134257332.db2.gz TVSKORYXQRSEOP-JTQLQIEISA-N 1 0 238.335 1.693 10 30 BDEERO C[C@@H](C#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000181569193 134337967 /nfs/dbraw/zinc/33/79/67/134337967.db2.gz OFXMNQNNJMPQHO-RYUDHWBXSA-N 1 0 237.347 1.084 10 30 BDEERO C[C@@H](C#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916482 134340390 /nfs/dbraw/zinc/34/03/90/134340390.db2.gz MCWVCXYVAUHIFS-QWHCGFSZSA-N 1 0 221.348 1.706 10 30 BDEERO N#Cc1cccc(C[N@H+]2CC[C@H](CCO)C2)c1F ZINC000223546943 134340508 /nfs/dbraw/zinc/34/05/08/134340508.db2.gz WWGFYHKMBZRDOK-LLVKDONJSA-N 1 0 248.301 1.902 10 30 BDEERO CCC[C@@H](C(=O)N[C@H](CC)CC#N)[NH+](C)C ZINC000183901238 134357318 /nfs/dbraw/zinc/35/73/18/134357318.db2.gz WBKVZRFTYDAWIJ-MNOVXSKESA-N 1 0 225.336 1.525 10 30 BDEERO C#CCSCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000228202186 134407558 /nfs/dbraw/zinc/40/75/58/134407558.db2.gz JHUGKKGVPXTTCW-QJPTWQEYSA-N 1 0 239.384 1.756 10 30 BDEERO C=CC[N@@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000191084213 134568104 /nfs/dbraw/zinc/56/81/04/134568104.db2.gz ZDPFNVZJMFXSSP-GFCCVEGCSA-N 1 0 245.363 1.297 10 30 BDEERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000134242187 134704337 /nfs/dbraw/zinc/70/43/37/134704337.db2.gz GBZSLFHWTLGGQI-KCJUWKMLSA-N 1 0 222.313 1.887 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000250682712 135058266 /nfs/dbraw/zinc/05/82/66/135058266.db2.gz ZFUWFLPBBJHIMI-GRYCIOLGSA-N 1 0 208.305 1.695 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000251018687 135062210 /nfs/dbraw/zinc/06/22/10/135062210.db2.gz DTJRSZAKDHUXQH-NNYUYHANSA-N 1 0 208.305 1.572 10 30 BDEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC#N ZINC000252660965 135094437 /nfs/dbraw/zinc/09/44/37/135094437.db2.gz FODDZYWBQSPBRU-NEPJUHHUSA-N 1 0 207.321 1.459 10 30 BDEERO C[C@@H]1CCN(c2cccc(C#N)n2)[C@H](C[NH3+])C1 ZINC000261543541 135185013 /nfs/dbraw/zinc/18/50/13/135185013.db2.gz UFIOSQDTUAIVBR-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO CC1(C)CN(c2cnccc2C#N)CC[C@@H]1[NH3+] ZINC000261563708 135205574 /nfs/dbraw/zinc/20/55/74/135205574.db2.gz XEMUGZLOCYHFDT-LBPRGKRZSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1ccnc(N2CC[C@@H]([NH3+])C(C)(C)C2)c1C#N ZINC000261569893 135211888 /nfs/dbraw/zinc/21/18/88/135211888.db2.gz KCJZKAKSBCDSEF-GFCCVEGCSA-N 1 0 244.342 1.825 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261871100 135258799 /nfs/dbraw/zinc/25/87/99/135258799.db2.gz ZRXZWWGAKRLPLT-LNFKQOIKSA-N 1 0 239.363 1.373 10 30 BDEERO C=CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079079241 135270806 /nfs/dbraw/zinc/27/08/06/135270806.db2.gz UUWGDCQJCOGWRA-LLVKDONJSA-N 1 0 227.352 1.448 10 30 BDEERO Cc1cc(CC[NH+]=C(N(C)C)N(C)C)on1 ZINC000262202089 135289747 /nfs/dbraw/zinc/28/97/47/135289747.db2.gz AZZFGCOJWGFNME-UHFFFAOYSA-N 1 0 224.308 1.005 10 30 BDEERO CN(C(=[NH2+])NCc1ccc2cc[nH]c2n1)C1CC1 ZINC000262352655 135294812 /nfs/dbraw/zinc/29/48/12/135294812.db2.gz ZCCCEODQBNRQEZ-UHFFFAOYSA-N 1 0 243.314 1.472 10 30 BDEERO C[C@@H]1C[NH+]=C(NCc2ccc3cc[nH]c3n2)N1 ZINC000262396740 135298386 /nfs/dbraw/zinc/29/83/86/135298386.db2.gz SYSBLYSJQXJUIF-MRVPVSSYSA-N 1 0 229.287 1.000 10 30 BDEERO CNC(NCc1c(C)c2ccccc2n1C)=[NH+]C ZINC000262390351 135298806 /nfs/dbraw/zinc/29/88/06/135298806.db2.gz PIDOAKHZHNAMFW-UHFFFAOYSA-N 1 0 244.342 1.782 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262386701 135299021 /nfs/dbraw/zinc/29/90/21/135299021.db2.gz DYGYBAOKPYHIRX-OUAUKWLOSA-N 1 0 225.336 1.258 10 30 BDEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H]1C ZINC000262452934 135300497 /nfs/dbraw/zinc/30/04/97/135300497.db2.gz WJCXDEOQDHJFLJ-SKDRFNHKSA-N 1 0 233.315 1.968 10 30 BDEERO COC1CCC(C)(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262628755 135309789 /nfs/dbraw/zinc/30/97/89/135309789.db2.gz FCZLTZSXBOYSLC-ZBOXLXRLSA-N 1 0 239.363 1.519 10 30 BDEERO CNC(N[C@@H]1C[C@]1(C)c1ccccc1OC)=[NH+]C ZINC000262667130 135312465 /nfs/dbraw/zinc/31/24/65/135312465.db2.gz NTZPKQBRSIFUHQ-TZMCWYRMSA-N 1 0 247.342 1.520 10 30 BDEERO CN1CC[NH+]=C1N[C@H]1C[C@H]1C1CCCCC1 ZINC000262678561 135313352 /nfs/dbraw/zinc/31/33/52/135313352.db2.gz UXNAWTAOHMSBJR-RYUDHWBXSA-N 1 0 221.348 1.846 10 30 BDEERO C[C@H]1CC(CNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000262684671 135314223 /nfs/dbraw/zinc/31/42/23/135314223.db2.gz XYUVFMMTBLZARZ-UWVGGRQHSA-N 1 0 225.336 1.081 10 30 BDEERO C[NH+]=C(NCC1CCC1)NC[C@@H]1CCC[C@H]1O ZINC000262766566 135317063 /nfs/dbraw/zinc/31/70/63/135317063.db2.gz GFESDNAUSOJNEX-NWDGAFQWSA-N 1 0 239.363 1.113 10 30 BDEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)NC1CCC1 ZINC000263050430 135328972 /nfs/dbraw/zinc/32/89/72/135328972.db2.gz DKEFVLHXGUXRMS-SNVBAGLBSA-N 1 0 237.347 1.260 10 30 BDEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)NC1CCC1 ZINC000263053908 135329856 /nfs/dbraw/zinc/32/98/56/135329856.db2.gz DSIQJUINKKMHRN-WDEREUQCSA-N 1 0 239.363 1.242 10 30 BDEERO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C#N)s1 ZINC000263081162 135331113 /nfs/dbraw/zinc/33/11/13/135331113.db2.gz HSCANSMJMFZEPP-MRVPVSSYSA-N 1 0 236.344 1.823 10 30 BDEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC23CC3)C1 ZINC000263204398 135339441 /nfs/dbraw/zinc/33/94/41/135339441.db2.gz XYGUOTZSEKUKLS-MNOVXSKESA-N 1 0 221.348 1.833 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000282274017 135370721 /nfs/dbraw/zinc/37/07/21/135370721.db2.gz HUCNJUVIDDMQRV-TZMCWYRMSA-N 1 0 242.322 1.295 10 30 BDEERO C[C@H]1[C@H](O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000296045802 135379917 /nfs/dbraw/zinc/37/99/17/135379917.db2.gz FMSHBXWMMORNRD-DZGCQCFKSA-N 1 0 229.323 1.883 10 30 BDEERO c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CO1)C2 ZINC000307079308 397977260 /nfs/dbraw/zinc/97/72/60/397977260.db2.gz NQTSFSBXQSVEDD-CYBMUJFWSA-N 1 0 203.285 1.834 10 30 BDEERO C#CC[N@@H+](C)[C@H](C)Cc1cccc(O)c1 ZINC000013492362 166160773 /nfs/dbraw/zinc/16/07/73/166160773.db2.gz RMJOYWZEWBHBGZ-LLVKDONJSA-N 1 0 203.285 1.888 10 30 BDEERO C#CCNC(=O)[C@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000037697773 166184460 /nfs/dbraw/zinc/18/44/60/166184460.db2.gz GPDAIYPNEUUSTF-QWRGUYRKSA-N 1 0 246.310 1.223 10 30 BDEERO C#CC[NH2+]CCN1Cc2ccccc2C1 ZINC000053387699 166188215 /nfs/dbraw/zinc/18/82/15/166188215.db2.gz WADQFOBMQUECEL-UHFFFAOYSA-N 1 0 200.285 1.225 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000053500290 166188934 /nfs/dbraw/zinc/18/89/34/166188934.db2.gz KXTRMIVLGPFWRC-NSHDSACASA-N 1 0 241.298 1.124 10 30 BDEERO C#Cc1cccc(NC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC000062889745 166222525 /nfs/dbraw/zinc/22/25/25/166222525.db2.gz SLUWMDITWHGPRX-OAHLLOKOSA-N 1 0 242.322 1.996 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000054337610 166223064 /nfs/dbraw/zinc/22/30/64/166223064.db2.gz HVPNJPFLOGROKQ-VIFPVBQESA-N 1 0 202.257 1.201 10 30 BDEERO C(#Cc1ccccc1)CO[C@H]1CCC[NH2+]C1 ZINC000051814627 166224965 /nfs/dbraw/zinc/22/49/65/166224965.db2.gz PXZMWBVBJTYNAS-AWEZNQCLSA-N 1 0 215.296 1.807 10 30 BDEERO C=CCN(Cc1ccc(F)cc1)C(=O)CC[NH3+] ZINC000033465700 166345860 /nfs/dbraw/zinc/34/58/60/166345860.db2.gz XYRRWFVJTYDXJG-UHFFFAOYSA-N 1 0 236.290 1.689 10 30 BDEERO C=CCN(Cc1ccc(OC)c(C)c1)C(=O)C[NH3+] ZINC000076633891 166345968 /nfs/dbraw/zinc/34/59/68/166345968.db2.gz SYSZQIMISZPIND-UHFFFAOYSA-N 1 0 248.326 1.477 10 30 BDEERO C=CCNC(=O)COc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726377 166371620 /nfs/dbraw/zinc/37/16/20/166371620.db2.gz FHDAMGNIHZDSFD-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000057520908 166372662 /nfs/dbraw/zinc/37/26/62/166372662.db2.gz XWTUTVKGCJYPQG-ZDUSSCGKSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984510 166382390 /nfs/dbraw/zinc/38/23/90/166382390.db2.gz KYZHJVQDCJTWNQ-LLVKDONJSA-N 1 0 212.337 1.703 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000035124229 166382994 /nfs/dbraw/zinc/38/29/94/166382994.db2.gz NTJXLVGUZYNLGT-GHMZBOCLSA-N 1 0 233.315 1.423 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccco1 ZINC000076584401 166384764 /nfs/dbraw/zinc/38/47/64/166384764.db2.gz OOEMCTWDDLHWQG-VIFPVBQESA-N 1 0 208.261 1.014 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000026513913 166388620 /nfs/dbraw/zinc/38/86/20/166388620.db2.gz JCPBYBOQNOMHEP-JTQLQIEISA-N 1 0 210.321 1.599 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051670013 166388728 /nfs/dbraw/zinc/38/87/28/166388728.db2.gz AINGDVLYIXIODR-ZDUSSCGKSA-N 1 0 246.354 1.818 10 30 BDEERO CC(C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000037386054 167096744 /nfs/dbraw/zinc/09/67/44/167096744.db2.gz HJXSFDNBMSSIIW-UHFFFAOYSA-N 1 0 217.272 1.495 10 30 BDEERO CC(C)[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000042874872 167117728 /nfs/dbraw/zinc/11/77/28/167117728.db2.gz QCQIOXGFOHJWLP-UHFFFAOYSA-N 1 0 248.282 1.816 10 30 BDEERO CC(C)[NH2+][C@@H](C(N)=O)c1cccc(C#N)c1 ZINC000037943547 167129386 /nfs/dbraw/zinc/12/93/86/167129386.db2.gz VILKZTHTVDQBFQ-LLVKDONJSA-N 1 0 217.272 1.083 10 30 BDEERO CC(C)N[C@H](C#N)CCN1CCOC(C)(C)C1 ZINC000062435228 167137391 /nfs/dbraw/zinc/13/73/91/167137391.db2.gz KCLRRSURENOAQE-LBPRGKRZSA-N 1 0 239.363 1.377 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000662168371 411372565 /nfs/dbraw/zinc/37/25/65/411372565.db2.gz CVCPDKNGBFQMAT-VXGBXAGGSA-N 1 0 203.285 1.463 10 30 BDEERO CC1CCC([N@H+](C)CC[C@H](N)C#N)CC1 ZINC000062437646 168157906 /nfs/dbraw/zinc/15/79/06/168157906.db2.gz OQAVAYUUVJDFQO-CXQJBGSLSA-N 1 0 209.337 1.738 10 30 BDEERO CCNC1=CC2=[NH+]CCc3c[nH]c(c32)C1=O ZINC000028895323 170108134 /nfs/dbraw/zinc/10/81/34/170108134.db2.gz ZYQIRQQUURHXIV-UHFFFAOYSA-N 1 0 215.256 1.050 10 30 BDEERO CCN[C@@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369194 170138459 /nfs/dbraw/zinc/13/84/59/170138459.db2.gz IIIWSPSXUZHKDO-OAHLLOKOSA-N 1 0 243.354 1.936 10 30 BDEERO C=CCOCCCNC(=O)C1CCC([NH3+])CC1 ZINC000662872597 412330703 /nfs/dbraw/zinc/33/07/03/412330703.db2.gz GNJVJCABUFNLBU-UHFFFAOYSA-N 1 0 240.347 1.213 10 30 BDEERO CN(C(=O)[C@@](C)([NH3+])C1CC1)c1cccc(C#N)c1 ZINC000061980955 172330886 /nfs/dbraw/zinc/33/08/86/172330886.db2.gz RKCOPVFQXNWQBW-AWEZNQCLSA-N 1 0 243.310 1.648 10 30 BDEERO CN(C(=O)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000059095712 172333707 /nfs/dbraw/zinc/33/37/07/172333707.db2.gz JCFDMSHRCSPXNS-GFCCVEGCSA-N 1 0 229.283 1.273 10 30 BDEERO C[NH+](C)C(C)(C)CN[C@@H]1CCC[C@@H]1C#N ZINC000054827498 172394493 /nfs/dbraw/zinc/39/44/93/172394493.db2.gz YNCSEHVEBNSQBH-GHMZBOCLSA-N 1 0 209.337 1.608 10 30 BDEERO C[N@@H+]1CC[C@@H](CNc2cc(C#N)ccn2)C1 ZINC000037647145 173117249 /nfs/dbraw/zinc/11/72/49/173117249.db2.gz RYGYKFBMUCFFHL-NSHDSACASA-N 1 0 216.288 1.317 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2N)C1 ZINC000042545052 173155340 /nfs/dbraw/zinc/15/53/40/173155340.db2.gz JVROYZACVHFQME-JTQLQIEISA-N 1 0 216.288 1.256 10 30 BDEERO C[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000034979653 173332885 /nfs/dbraw/zinc/33/28/85/173332885.db2.gz WBTOPVDWXXAVNH-UHFFFAOYSA-N 1 0 223.663 1.370 10 30 BDEERO C[NH2+]CC1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000104313618 173338276 /nfs/dbraw/zinc/33/82/76/173338276.db2.gz HMNXEPPTQLYZQP-UHFFFAOYSA-N 1 0 247.346 1.036 10 30 BDEERO C[NH2+]CCC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980521 173339110 /nfs/dbraw/zinc/33/91/10/173339110.db2.gz UBBZYDCXMOVPMU-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO C[NH2+]CCCN(C)c1ccccc1C#N ZINC000077297543 173346750 /nfs/dbraw/zinc/34/67/50/173346750.db2.gz WOYTXFQKMMHZAW-UHFFFAOYSA-N 1 0 203.289 1.604 10 30 BDEERO COc1ccc([C@@H](C[NH3+])N(CC#N)CC#N)cc1 ZINC000042960510 175178115 /nfs/dbraw/zinc/17/81/15/175178115.db2.gz QWUBPJURNBOPKW-CYBMUJFWSA-N 1 0 244.298 1.044 10 30 BDEERO COc1cccc([C@@H](CNCC#N)[NH+](C)C)c1 ZINC000020070565 175288055 /nfs/dbraw/zinc/28/80/55/175288055.db2.gz GNQFVVWTAMVWIX-CYBMUJFWSA-N 1 0 233.315 1.411 10 30 BDEERO COc1cccc([C@H](C[NH3+])N(C)CCC#N)c1 ZINC000043026028 175294454 /nfs/dbraw/zinc/29/44/54/175294454.db2.gz YPWTWNJAJYDNRW-ZDUSSCGKSA-N 1 0 233.315 1.540 10 30 BDEERO C[C@@H]1CCc2c(C#N)c(NC(=O)C[NH3+])sc2C1 ZINC000031959956 176239195 /nfs/dbraw/zinc/23/91/95/176239195.db2.gz HVHUICBJGSBATL-SSDOTTSWSA-N 1 0 249.339 1.642 10 30 BDEERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000336690555 176627861 /nfs/dbraw/zinc/62/78/61/176627861.db2.gz HHZFXTISYSGNBF-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1[NH+](C)C ZINC000148333132 177276234 /nfs/dbraw/zinc/27/62/34/177276234.db2.gz NKLFFOUEDCXRSG-GWCFXTLKSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1CN(c2cccc(C#N)n2)C[C@H]1[NH+](C)C ZINC000251619391 177277165 /nfs/dbraw/zinc/27/71/65/177277165.db2.gz DWBVJLBZUNWATD-CMPLNLGQSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1CN(c2ncccc2C#N)C[C@H]1[NH+](C)C ZINC000251702151 177278584 /nfs/dbraw/zinc/27/85/84/177278584.db2.gz IYKUBQJGWGIBBG-CMPLNLGQSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1(C#N)CC1 ZINC000336488406 177280185 /nfs/dbraw/zinc/28/01/85/177280185.db2.gz MFLBMKFUXGTBJV-RYUDHWBXSA-N 1 0 219.332 1.459 10 30 BDEERO C[C@@H](C[NH3+])Nc1ccc(Cl)cc1C#N ZINC000082576281 269835169 /nfs/dbraw/zinc/83/51/69/269835169.db2.gz GDUYRQGWRPMQOV-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000399539757 262838368 /nfs/dbraw/zinc/83/83/68/262838368.db2.gz WBTUPZLWMIFCEL-GFCCVEGCSA-N 1 0 230.315 1.402 10 30 BDEERO C=C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000309495293 487887372 /nfs/dbraw/zinc/88/73/72/487887372.db2.gz JXKURFYGEYQVSL-DCAQKATOSA-N 1 0 210.321 1.311 10 30 BDEERO Cc1cc(C#N)cc(NCCOCCC[NH3+])n1 ZINC000600955658 487939080 /nfs/dbraw/zinc/93/90/80/487939080.db2.gz PMOVIYMFVIRZNS-UHFFFAOYSA-N 1 0 234.303 1.039 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000135748612 323030167 /nfs/dbraw/zinc/03/01/67/323030167.db2.gz CPOYRRNKVJGFAP-CHWSQXEVSA-N 1 0 249.358 1.671 10 30 BDEERO Cc1cc(NCC[C@H]2CC[NH2+]C2)cc(C#N)n1 ZINC000308238421 323151954 /nfs/dbraw/zinc/15/19/54/323151954.db2.gz JLTUYPNEFOHZQL-LLVKDONJSA-N 1 0 230.315 1.673 10 30 BDEERO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C#N)n1 ZINC000308245271 323158854 /nfs/dbraw/zinc/15/88/54/323158854.db2.gz QZZUYOMDGUHACP-MFKMUULPSA-N 1 0 228.299 1.060 10 30 BDEERO Cc1cc(N2CCC(CC[NH3+])CC2)cc(C#N)n1 ZINC000308245593 323160596 /nfs/dbraw/zinc/16/05/96/323160596.db2.gz RWXFJFARGTXLTQ-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO CC1CC(C#N)(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)C1 ZINC000124180806 324610418 /nfs/dbraw/zinc/61/04/18/324610418.db2.gz HDRZVPRDILWNIR-MRFPXMQZSA-N 1 0 249.358 1.335 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000135748737 325425998 /nfs/dbraw/zinc/42/59/98/325425998.db2.gz CPOYRRNKVJGFAP-STQMWFEESA-N 1 0 249.358 1.671 10 30 BDEERO C=CCSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567041614 326104846 /nfs/dbraw/zinc/10/48/46/326104846.db2.gz YQSVZFWPWQJZSS-VXGBXAGGSA-N 1 0 228.405 1.883 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309041 488043189 /nfs/dbraw/zinc/04/31/89/488043189.db2.gz XDSURBVVINVBNW-RYUDHWBXSA-N 1 0 222.332 1.562 10 30 BDEERO C=C1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000382550814 487546437 /nfs/dbraw/zinc/54/64/37/487546437.db2.gz UMOVNQYYBXLQKV-WDEREUQCSA-N 1 0 210.321 1.538 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000382575730 487546482 /nfs/dbraw/zinc/54/64/82/487546482.db2.gz DQWOEGUQSJBDIV-NWDGAFQWSA-N 1 0 222.332 1.540 10 30 BDEERO CCC#C[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000390615798 488169681 /nfs/dbraw/zinc/16/96/81/488169681.db2.gz GVAIMHPOTIWBTI-GHMZBOCLSA-N 1 0 222.332 1.435 10 30 BDEERO CNC(=[NH2+])N[C@@H]1COc2cccc(Cl)c21 ZINC000262277929 536305245 /nfs/dbraw/zinc/30/52/45/536305245.db2.gz KDLYXGAOOHJONQ-SSDOTTSWSA-N 1 0 225.679 1.308 10 30 BDEERO C=CCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175695345 534650735 /nfs/dbraw/zinc/65/07/35/534650735.db2.gz SAKZWOJNKBAKBB-LBPRGKRZSA-N 1 0 240.347 1.132 10 30 BDEERO C=CCC[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC000125304554 534798369 /nfs/dbraw/zinc/79/83/69/534798369.db2.gz IEDPLDIAFNVBLS-GFCCVEGCSA-N 1 0 220.320 1.613 10 30 BDEERO C=CCOCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173763387 534872412 /nfs/dbraw/zinc/87/24/12/534872412.db2.gz IIUMEDNPPGVLMT-GFCCVEGCSA-N 1 0 240.347 1.132 10 30 BDEERO CC(C)(C#N)N1CC[NH+](C2CCCC2)CC1 ZINC000070995907 534999854 /nfs/dbraw/zinc/99/98/54/534999854.db2.gz QEWHHCLJVWMKPU-UHFFFAOYSA-N 1 0 221.348 1.849 10 30 BDEERO CC[NH+]=C(NC[C@@H]1C[C@H]1C)NCC1CCC1 ZINC000262727291 535263577 /nfs/dbraw/zinc/26/35/77/535263577.db2.gz AJZMCFCABROTAK-PWSUYJOCSA-N 1 0 223.364 1.998 10 30 BDEERO CC(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262541431 535298976 /nfs/dbraw/zinc/29/89/76/535298976.db2.gz SAERDIMNJDPGOO-QWRGUYRKSA-N 1 0 241.379 1.750 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC000252582397 535588691 /nfs/dbraw/zinc/58/86/91/535588691.db2.gz VFGYXVZVGGHJMC-MNOVXSKESA-N 1 0 223.320 1.089 10 30 BDEERO CCC=NOC[C@H](O)C[NH2+]C(C)(C)C ZINC000383914312 581093767 /nfs/dbraw/zinc/09/37/67/581093767.db2.gz AJULDGAPFSVVHF-SECBINFHSA-N 1 0 202.298 1.148 10 30 BDEERO CC/C=N/OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000011422452 581093809 /nfs/dbraw/zinc/09/38/09/581093809.db2.gz AJULDGAPFSVVHF-DAVUEJTQSA-N 1 0 202.298 1.148 10 30 BDEERO C[C@]([NH3+])(CCC=O)COCc1ccccc1 ZINC000757172752 582551964 /nfs/dbraw/zinc/55/19/64/582551964.db2.gz QWLSMYMTPGPGHP-ZDUSSCGKSA-N 1 0 221.300 1.900 10 30 BDEERO CN(c1nc(Cl)c(C#N)s1)[C@H]1CC[NH2+]C1 ZINC000234311831 631236790 /nfs/dbraw/zinc/23/67/90/631236790.db2.gz CRWLQRMFEWFWFM-LURJTMIESA-N 1 0 242.735 1.466 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2cc(C#N)nc(C)n2)C1 ZINC000308322118 631291474 /nfs/dbraw/zinc/29/14/74/631291474.db2.gz BZEJULWNGYKSTH-LLVKDONJSA-N 1 0 245.330 1.553 10 30 BDEERO C#CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000308834622 631894879 /nfs/dbraw/zinc/89/48/79/631894879.db2.gz VSONLASXFONMTO-UHFFFAOYSA-N 1 0 213.231 1.261 10 30 BDEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1[NH3+] ZINC000235387953 632687706 /nfs/dbraw/zinc/68/77/06/632687706.db2.gz VIUHMYPRCWBJNN-RITPCOANSA-N 1 0 242.735 1.452 10 30 BDEERO N#Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)ncn1 ZINC000310681102 632879195 /nfs/dbraw/zinc/87/91/95/632879195.db2.gz KXBAVTVXFSGJTB-LBPRGKRZSA-N 1 0 245.330 1.668 10 30 BDEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000310751916 632937201 /nfs/dbraw/zinc/93/72/01/632937201.db2.gz INOALECXKKLYDY-LDYMZIIASA-N 1 0 246.270 1.392 10 30 BDEERO C=CCCOCc1nc([C@H](C)C[NH3+])no1 ZINC000309415256 633037031 /nfs/dbraw/zinc/03/70/31/633037031.db2.gz JDCWCWIDYUWCFM-MRVPVSSYSA-N 1 0 211.265 1.225 10 30 BDEERO C[C@H](C[NH3+])c1noc(-c2ccc(C#N)cc2)n1 ZINC000054158688 635774979 /nfs/dbraw/zinc/77/49/79/635774979.db2.gz ACIRMGBLUTZBRL-MRVPVSSYSA-N 1 0 228.255 1.670 10 30 BDEERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061890670 641191220 /nfs/dbraw/zinc/19/12/20/641191220.db2.gz CSKPPRSYNROCEJ-GHMZBOCLSA-N 1 0 237.347 1.573 10 30 BDEERO C=C(Br)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000153537262 641813340 /nfs/dbraw/zinc/81/33/40/641813340.db2.gz UOUIPTZJXDSNJW-SFYZADRCSA-N 1 0 247.136 1.139 10 30 BDEERO C#CCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192151360 641966046 /nfs/dbraw/zinc/96/60/46/641966046.db2.gz YFRQMAHTWDWOMN-STQMWFEESA-N 1 0 236.359 1.635 10 30 BDEERO C#CCCCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000154225583 641984612 /nfs/dbraw/zinc/98/46/12/641984612.db2.gz WGVCPTLBONZEJE-LBPRGKRZSA-N 1 0 224.348 1.636 10 30 BDEERO C#CCCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154905487 642301501 /nfs/dbraw/zinc/30/15/01/642301501.db2.gz XJZJNGXMAVHSMK-LBPRGKRZSA-N 1 0 237.347 1.135 10 30 BDEERO C[S@](=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000252963524 642915829 /nfs/dbraw/zinc/91/58/29/642915829.db2.gz WGLFPHMINOAZDB-RBZYPMLTSA-N 1 0 214.334 1.037 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000070533382 643036394 /nfs/dbraw/zinc/03/63/94/643036394.db2.gz DRHQGWXQCXPTPG-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO [NH2+]=C(NCC1CCC1)N[C@@H]1COc2ccccc21 ZINC000185150376 643267270 /nfs/dbraw/zinc/26/72/70/643267270.db2.gz YPVHQQTUVPPQSP-GFCCVEGCSA-N 1 0 245.326 1.825 10 30 BDEERO C#CCC[NH2+]Cc1c(Cl)c(C)nn1C ZINC000084270805 643656165 /nfs/dbraw/zinc/65/61/65/643656165.db2.gz QLGSHHTXCBYGPF-UHFFFAOYSA-N 1 0 211.696 1.495 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000250681452 644775825 /nfs/dbraw/zinc/77/58/25/644775825.db2.gz YNIIVLGIMUGBBT-TUAOUCFPSA-N 1 0 206.289 1.961 10 30 BDEERO CC(C)[C@H]1CC[C@H](C)CC1N=NC(N)=[NH2+] ZINC000252446934 644850538 /nfs/dbraw/zinc/85/05/38/644850538.db2.gz DBXNCHLLSWWXSM-DTWKUNHWSA-N 1 0 210.325 1.918 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715147403 712512340 /nfs/dbraw/zinc/51/23/40/712512340.db2.gz WXRISSKZRFJNHC-DKTWLAJQSA-N 1 0 219.263 1.847 10 30 BDEERO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000715736983 712531518 /nfs/dbraw/zinc/53/15/18/712531518.db2.gz DNAOVWWDPSMILT-WDEREUQCSA-N 1 0 211.305 1.836 10 30 BDEERO C#CC[C@@H](COC)[NH2+]CCc1ccccc1 ZINC000716928184 712596439 /nfs/dbraw/zinc/59/64/39/712596439.db2.gz FUZRURVQWKBSQG-AWEZNQCLSA-N 1 0 217.312 1.857 10 30 BDEERO C=CCC1(O)CC[NH+](CC2(O)CCC2)CC1 ZINC000717495263 712659923 /nfs/dbraw/zinc/65/99/23/712659923.db2.gz NOYHPUGGIJNIDY-UHFFFAOYSA-N 1 0 225.332 1.304 10 30 BDEERO CC1(C)CN(c2ccncc2C#N)C[C@H]1[NH3+] ZINC000720755422 712863664 /nfs/dbraw/zinc/86/36/64/712863664.db2.gz HXBCWALVWHMCCD-LLVKDONJSA-N 1 0 216.288 1.127 10 30 BDEERO C#CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723620474 711526761 /nfs/dbraw/zinc/52/67/61/711526761.db2.gz GWOBWTIALNTOHC-RWMBFGLXSA-N 1 0 207.317 1.805 10 30 BDEERO N#Cc1ccnc(N2CC[C@@H](CC[NH3+])C2)c1 ZINC000723683040 711533732 /nfs/dbraw/zinc/53/37/32/711533732.db2.gz NUSHEZKWAREBCG-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO Cc1ccnc(N2CC[C@@H](CC[NH3+])C2)c1C#N ZINC000723683660 711534203 /nfs/dbraw/zinc/53/42/03/711534203.db2.gz SMHDGLSKAIRHTJ-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO C#CC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000717774362 711619855 /nfs/dbraw/zinc/61/98/55/711619855.db2.gz AOSHDVZFKUTXPN-CYBMUJFWSA-N 1 0 203.285 1.203 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000721623692 711671718 /nfs/dbraw/zinc/67/17/18/711671718.db2.gz PTYNCGXASMATQJ-BXKDBHETSA-N 1 0 217.272 1.220 10 30 BDEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C#N)nc1 ZINC000721945977 711946686 /nfs/dbraw/zinc/94/66/86/711946686.db2.gz XLHRFDSRUNMGSK-LLVKDONJSA-N 1 0 216.288 1.363 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206927 712285647 /nfs/dbraw/zinc/28/56/47/712285647.db2.gz HMBAIKSSDXZAQZ-VHSXEESVSA-N 1 0 236.340 1.537 10 30 BDEERO C#Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000378671546 712356558 /nfs/dbraw/zinc/35/65/58/712356558.db2.gz KJWBORLXODLTDD-QWHCGFSZSA-N 1 0 201.269 1.138 10 30 BDEERO C=CCN(CC=C)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715481630 712520747 /nfs/dbraw/zinc/52/07/47/712520747.db2.gz FOUAVFRBZIWWGH-UKRRQHHQSA-N 1 0 248.370 1.967 10 30 BDEERO Cc1cc(C#N)nc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721028106 712886950 /nfs/dbraw/zinc/88/69/50/712886950.db2.gz NYIUVHGWMPXJHO-MWLCHTKSSA-N 1 0 245.330 1.314 10 30 BDEERO CSC[C@@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953448 538898236 /nfs/dbraw/zinc/89/82/36/538898236.db2.gz MMDNQLNNSMUERN-QMMMGPOBSA-N 1 0 215.318 1.022 10 30 BDEERO C[C@H]1C[NH2+]CCN1c1ccc(C#N)c(F)c1 ZINC000211935305 132450701 /nfs/dbraw/zinc/45/07/01/132450701.db2.gz BSFWIZOVFXOYTG-VIFPVBQESA-N 1 0 219.263 1.495 10 30 BDEERO COC[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000221910498 349468975 /nfs/dbraw/zinc/46/89/75/349468975.db2.gz UCWJCMZJDRXMSC-VIFPVBQESA-N 1 0 222.263 1.822 10 30 BDEERO N#Cc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382478172 398173533 /nfs/dbraw/zinc/17/35/33/398173533.db2.gz UTTAKWOGSALCFT-VHSXEESVSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1cc(F)ccc1[C@H](C#N)NCC[NH+](C)C ZINC000050579546 178092314 /nfs/dbraw/zinc/09/23/14/178092314.db2.gz LTWGBGMPBFDJSE-ZDUSSCGKSA-N 1 0 235.306 1.850 10 30 BDEERO Cc1cc(NC(=O)NC2CC2)ccc1C#CC[NH3+] ZINC000054457896 178138283 /nfs/dbraw/zinc/13/82/83/178138283.db2.gz VQNAQUPZZDFYHI-UHFFFAOYSA-N 1 0 243.310 1.589 10 30 BDEERO Cc1cc([C@@H](C#N)NCC[NH+](C)C)cc(C)c1O ZINC000037940820 178221103 /nfs/dbraw/zinc/22/11/03/178221103.db2.gz VNHJYEMYEBGFIG-CYBMUJFWSA-N 1 0 247.342 1.725 10 30 BDEERO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000164641650 538934050 /nfs/dbraw/zinc/93/40/50/538934050.db2.gz IVVHQHIWEODRGQ-QWHCGFSZSA-N 1 0 226.364 1.651 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncccc1C#N ZINC000092631296 398235716 /nfs/dbraw/zinc/23/57/16/398235716.db2.gz ODLGTCLQSQTRLI-ZDUSSCGKSA-N 1 0 244.342 1.874 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)CCC[NH3+])n1 ZINC000309191300 178365609 /nfs/dbraw/zinc/36/56/09/178365609.db2.gz BMYGIZMBWAEWSS-VIFPVBQESA-N 1 0 218.304 1.801 10 30 BDEERO Cc1cc(N(C)CCC[NH+](C)C)c(C#N)c(C)n1 ZINC000157437506 398260444 /nfs/dbraw/zinc/26/04/44/398260444.db2.gz NYEDVPUBMSBQEE-UHFFFAOYSA-N 1 0 246.358 1.958 10 30 BDEERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])cc(C#N)n1 ZINC000320982988 342748781 /nfs/dbraw/zinc/74/87/81/342748781.db2.gz XSJSRMUUCDQGBR-IUCAKERBSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cccnc1C#N ZINC000320709095 342734890 /nfs/dbraw/zinc/73/48/90/342734890.db2.gz PJXHHJWTRLSBLN-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO Cc1cc(C#N)cc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320684297 342736143 /nfs/dbraw/zinc/73/61/43/342736143.db2.gz LUCPAIUQUQRPLQ-RKDXNWHRSA-N 1 0 218.304 1.799 10 30 BDEERO C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000231821191 342740014 /nfs/dbraw/zinc/74/00/14/342740014.db2.gz PNKYFFPEMNUEFZ-VXGBXAGGSA-N 1 0 213.321 1.472 10 30 BDEERO C=CCOCC[NH2+]Cc1cnn(C)c1C ZINC000380033619 538984281 /nfs/dbraw/zinc/98/42/81/538984281.db2.gz RCROFQKCIVXSMU-UHFFFAOYSA-N 1 0 209.293 1.021 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1ccnc(C#N)c1 ZINC000087780269 398305655 /nfs/dbraw/zinc/30/56/55/398305655.db2.gz AIZQKELTOTVXIL-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO C[C@H]1C[N@H+](C)CCN1C/C=C/CS ZINC000235594806 344009671 /nfs/dbraw/zinc/00/96/71/344009671.db2.gz YWMPVXWYJQLSOR-FSIBCCDJSA-N 1 0 200.351 1.108 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC000602827823 349765155 /nfs/dbraw/zinc/76/51/55/349765155.db2.gz DLPRNGIATCNLBJ-WCFLWFBJSA-N 1 0 247.342 1.422 10 30 BDEERO CC[C@@H](C#N)N(CC[NH3+])Cc1ccccc1 ZINC000233838582 343075141 /nfs/dbraw/zinc/07/51/41/343075141.db2.gz CJTQEODUDBBIJY-ZDUSSCGKSA-N 1 0 217.316 1.749 10 30 BDEERO C#CCOc1c(C[NH2+]CCO)cccc1OCC ZINC000045945545 187232973 /nfs/dbraw/zinc/23/29/73/187232973.db2.gz PIJLHCUJDCSCAZ-UHFFFAOYSA-N 1 0 249.310 1.179 10 30 BDEERO C#Cc1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000037476015 187251758 /nfs/dbraw/zinc/25/17/58/187251758.db2.gz FIFZFDNIZVMVQJ-VIFPVBQESA-N 1 0 202.257 1.344 10 30 BDEERO N#CCOc1ccc(Br)cc1C[NH3+] ZINC000037700838 187260413 /nfs/dbraw/zinc/26/04/13/187260413.db2.gz JWYMXAYRRRGUIN-UHFFFAOYSA-N 1 0 241.088 1.810 10 30 BDEERO N#CCCN(CCC#N)C(=O)C1([NH3+])CCCCC1 ZINC000037825529 187260774 /nfs/dbraw/zinc/26/07/74/187260774.db2.gz LIUPDYBFCWXCGR-UHFFFAOYSA-N 1 0 248.330 1.304 10 30 BDEERO CN1CC[NH+]=C1NCc1cc(C#N)ccc1F ZINC000262672406 136374706 /nfs/dbraw/zinc/37/47/06/136374706.db2.gz RRBPBPIFAGQNEY-UHFFFAOYSA-N 1 0 232.262 1.088 10 30 BDEERO N#Cc1cccc([C@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000037940443 187261811 /nfs/dbraw/zinc/26/18/11/187261811.db2.gz SYNFUELRQDUYOD-AWEZNQCLSA-N 1 0 240.310 1.418 10 30 BDEERO CC(C)[N@H+](C[C@H]1CO1)CC1CCOCC1 ZINC000085343267 187269076 /nfs/dbraw/zinc/26/90/76/187269076.db2.gz DXMUKGLHLXUQDU-LBPRGKRZSA-N 1 0 213.321 1.522 10 30 BDEERO N#CCCOCC[N@H+]1CCC[C@H]1CCCO ZINC000338954328 343692625 /nfs/dbraw/zinc/69/26/25/343692625.db2.gz NJLMBWFXAXIEPA-LBPRGKRZSA-N 1 0 226.320 1.154 10 30 BDEERO N#CCCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000054138629 187272066 /nfs/dbraw/zinc/27/20/66/187272066.db2.gz FUGSTTHTZZKHBL-ZDUSSCGKSA-N 1 0 243.310 1.121 10 30 BDEERO N#Cc1ccc(-c2nc(CCC[NH3+])no2)cc1 ZINC000054139119 187271839 /nfs/dbraw/zinc/27/18/39/187271839.db2.gz AARZECZRPHKUBZ-UHFFFAOYSA-N 1 0 228.255 1.500 10 30 BDEERO [NH3+]Cc1cncc(C#Cc2ccccc2)c1 ZINC000116295403 343786081 /nfs/dbraw/zinc/78/60/81/343786081.db2.gz WYLZHZHOTNNMMF-UHFFFAOYSA-N 1 0 208.264 1.940 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(-c2ccccn2)n1 ZINC000409438233 343849772 /nfs/dbraw/zinc/84/97/72/343849772.db2.gz KZXPITNLRKUNNZ-UHFFFAOYSA-N 1 0 226.283 1.298 10 30 BDEERO C=C(Br)CN1CCC[C@H]([NH3+])[C@@H]1C ZINC000307594036 343943698 /nfs/dbraw/zinc/94/36/98/343943698.db2.gz JSRXNHDGGXZJPD-IUCAKERBSA-N 1 0 233.153 1.707 10 30 BDEERO N[NH+]=C(NC1CCCC1)[C@@H]1CCCS1 ZINC000070005319 343946269 /nfs/dbraw/zinc/94/62/69/343946269.db2.gz QVMKICPFKNRHIL-VIFPVBQESA-N 1 0 213.350 1.686 10 30 BDEERO CSCC(NC1CCCCCC1)=[NH+]N ZINC000070005340 343946288 /nfs/dbraw/zinc/94/62/88/343946288.db2.gz DQPXOFDZDGARPV-UHFFFAOYSA-N 1 0 215.366 1.934 10 30 BDEERO CC(C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608588 187357716 /nfs/dbraw/zinc/35/77/16/187357716.db2.gz ZLOSHRHIRHQFDQ-UHFFFAOYSA-N 1 0 246.354 1.716 10 30 BDEERO Cc1c(C[NH2+]CCCCC#N)cnn1C ZINC000126227693 344172347 /nfs/dbraw/zinc/17/23/47/344172347.db2.gz IMPPBCCFGFKCMC-UHFFFAOYSA-N 1 0 206.293 1.512 10 30 BDEERO O=C(CC1CC[NH2+]CC1)C1=COCCC1 ZINC000135408211 344265390 /nfs/dbraw/zinc/26/53/90/344265390.db2.gz OMXIEVIDHZCKQM-UHFFFAOYSA-N 1 0 209.289 1.640 10 30 BDEERO N#CCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883536 344471147 /nfs/dbraw/zinc/47/11/47/344471147.db2.gz BUFMNEVSGMDQTQ-GFCCVEGCSA-N 1 0 233.319 1.294 10 30 BDEERO COC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054825682 344472424 /nfs/dbraw/zinc/47/24/24/344472424.db2.gz RDKYAIVWMSCEKL-ZJUUUORDSA-N 1 0 210.277 1.221 10 30 BDEERO C#CC[NH2+]Cc1c(C)nc2sccn21 ZINC000037184841 344489799 /nfs/dbraw/zinc/48/97/99/344489799.db2.gz ZMBXOLZRRXWKCU-UHFFFAOYSA-N 1 0 205.286 1.427 10 30 BDEERO Cc1ccnc(N[C@H](C)[C@H](C)[NH3+])c1C#N ZINC000381346219 344497024 /nfs/dbraw/zinc/49/70/24/344497024.db2.gz GRHKUKQALFHNTL-DTWKUNHWSA-N 1 0 204.277 1.409 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381373642 344498781 /nfs/dbraw/zinc/49/87/81/344498781.db2.gz NGZMTCNBAQGKAJ-DTWKUNHWSA-N 1 0 204.277 1.409 10 30 BDEERO CC[C@@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131302853 344729432 /nfs/dbraw/zinc/72/94/32/344729432.db2.gz XZRFADNOPGBBJY-SECBINFHSA-N 1 0 234.259 1.616 10 30 BDEERO C=CCOCC[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000310214800 344709916 /nfs/dbraw/zinc/70/99/16/344709916.db2.gz HORBLJWLGCQLCD-ZIAGYGMSSA-N 1 0 238.375 1.748 10 30 BDEERO C#Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000037612059 187292962 /nfs/dbraw/zinc/29/29/62/187292962.db2.gz WHHJHQUBSTVTEC-UHFFFAOYSA-N 1 0 228.295 1.749 10 30 BDEERO N#Cc1ccnc(N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000600962791 344836660 /nfs/dbraw/zinc/83/66/60/344836660.db2.gz MEJAKVFBNCQOLB-UMSPYCQHSA-N 1 0 230.315 1.883 10 30 BDEERO CNC(=[NH2+])Nc1cc(F)c(F)c(F)c1 ZINC000061123231 344857549 /nfs/dbraw/zinc/85/75/49/344857549.db2.gz YDIOPZWFEKTOFT-UHFFFAOYSA-N 1 0 203.167 1.270 10 30 BDEERO CCCCCCCCC#C[C@@H](O)[C@@H]([NH3+])CO ZINC000049881743 187294073 /nfs/dbraw/zinc/29/40/73/187294073.db2.gz PSZFDJIBPJBVSH-QWHCGFSZSA-N 1 0 227.348 1.421 10 30 BDEERO Cc1ccc(C#N)c(NCC2CC[NH2+]CC2)n1 ZINC000044509208 345097735 /nfs/dbraw/zinc/09/77/35/345097735.db2.gz WCUVHWYVGPUFSE-UHFFFAOYSA-N 1 0 230.315 1.673 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070090 345246530 /nfs/dbraw/zinc/24/65/30/345246530.db2.gz HPEOZLRODZHIIX-IONNQARKSA-N 1 0 233.153 1.564 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc(F)cc1C#N ZINC000082516570 345297760 /nfs/dbraw/zinc/29/77/60/345297760.db2.gz QUDKJMFKSHTXSW-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO C=CCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000159053916 345403491 /nfs/dbraw/zinc/40/34/91/345403491.db2.gz NSJJMBQCWMJLLC-NEPJUHHUSA-N 1 0 224.348 1.798 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000136246876 345492654 /nfs/dbraw/zinc/49/26/54/345492654.db2.gz BWGKNNVMDAQRKT-CMPLNLGQSA-N 1 0 223.320 1.089 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C#N ZINC000070447801 345717086 /nfs/dbraw/zinc/71/70/86/345717086.db2.gz CXCYQHCKSKKFEA-JTQLQIEISA-N 1 0 249.274 1.257 10 30 BDEERO C[C@H](CC[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000307554347 345813347 /nfs/dbraw/zinc/81/33/47/345813347.db2.gz MMDVPAWFSGVDGN-RXMQYKEDSA-N 1 0 230.724 1.817 10 30 BDEERO C[C@]1(O)CC[N@H+](CC2(C=O)CCCC2)C1 ZINC000235751102 345843905 /nfs/dbraw/zinc/84/39/05/345843905.db2.gz VZHZPSDFUOEQAU-NSHDSACASA-N 1 0 211.305 1.202 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@H]1COCC[NH2+]1 ZINC000236204376 346209912 /nfs/dbraw/zinc/20/99/12/346209912.db2.gz VXUNKGOIKWGKQE-NSHDSACASA-N 1 0 235.262 1.098 10 30 BDEERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000136301819 346187218 /nfs/dbraw/zinc/18/72/18/346187218.db2.gz DTBJGUWIXNOOBA-GFCCVEGCSA-N 1 0 231.299 1.870 10 30 BDEERO NN=C(N)Nc1c(F)cccc1Cl ZINC000164603066 346612214 /nfs/dbraw/zinc/61/22/14/346612214.db2.gz CXCRKXGHXQHKKE-UHFFFAOYSA-N 1 0 202.620 1.079 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000378668661 346804060 /nfs/dbraw/zinc/80/40/60/346804060.db2.gz IHHNXDKMKAFHGP-DDHJBXDOSA-N 1 0 208.305 1.836 10 30 BDEERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(CC#N)CC#N)c1 ZINC000042965763 179188935 /nfs/dbraw/zinc/18/89/35/179188935.db2.gz ULMCLJWIWFSZPT-GXTWGEPZSA-N 1 0 242.326 1.732 10 30 BDEERO C#C[C@H](CC)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000390622735 259395627 /nfs/dbraw/zinc/39/56/27/259395627.db2.gz IZPDMFHTOWIJLK-SNVBAGLBSA-N 1 0 218.304 1.044 10 30 BDEERO C=C(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616569120 347575949 /nfs/dbraw/zinc/57/59/49/347575949.db2.gz GKYYARYOHAFRRM-KGLIPLIRSA-N 1 0 244.338 1.906 10 30 BDEERO Cc1ccc(C#N)c(N2CCC(C)([NH3+])CC2)n1 ZINC000591435206 347659909 /nfs/dbraw/zinc/65/99/09/347659909.db2.gz MNDYNXFISFOPQE-UHFFFAOYSA-N 1 0 230.315 1.579 10 30 BDEERO N#Cc1cncc(NCCC2CC[NH2+]CC2)n1 ZINC000593233226 347873009 /nfs/dbraw/zinc/87/30/09/347873009.db2.gz MSEDXIMXSFCXJU-UHFFFAOYSA-N 1 0 231.303 1.150 10 30 BDEERO Cn1cncc1CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000401789052 347878346 /nfs/dbraw/zinc/87/83/46/347878346.db2.gz VLWQHLQIIPPEBV-AAEUAGOBSA-N 1 0 232.331 1.635 10 30 BDEERO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000401789055 347878667 /nfs/dbraw/zinc/87/86/67/347878667.db2.gz VLWQHLQIIPPEBV-DGCLKSJQSA-N 1 0 232.331 1.635 10 30 BDEERO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000401789057 347878713 /nfs/dbraw/zinc/87/87/13/347878713.db2.gz VLWQHLQIIPPEBV-WCQYABFASA-N 1 0 232.331 1.635 10 30 BDEERO CN(CC(C)(C)[NH3+])c1nc2c(cc1C#N)CCC2 ZINC000594693304 348100463 /nfs/dbraw/zinc/10/04/63/348100463.db2.gz MNQOTMHYHRFWBB-UHFFFAOYSA-N 1 0 244.342 1.615 10 30 BDEERO C=CCCSCCNC(=O)[C@@H](C)[NH2+]C ZINC000595255682 348203962 /nfs/dbraw/zinc/20/39/62/348203962.db2.gz IRSCTOHCDDFOIK-SECBINFHSA-N 1 0 216.350 1.020 10 30 BDEERO C=CCCSCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000595255656 348204132 /nfs/dbraw/zinc/20/41/32/348204132.db2.gz HYCRLSPAOHIKFQ-NSHDSACASA-N 1 0 242.388 1.412 10 30 BDEERO N#Cc1cccc(OC(F)(F)F)c1C[NH3+] ZINC000616576063 349099490 /nfs/dbraw/zinc/09/94/90/349099490.db2.gz MGQNKOKKRXJTSL-UHFFFAOYSA-N 1 0 216.162 1.916 10 30 BDEERO C=C[C@@H](C(=O)OC)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000304222705 350760963 /nfs/dbraw/zinc/76/09/63/350760963.db2.gz NJGWJOAFNOXYFM-RYUDHWBXSA-N 1 0 240.347 1.130 10 30 BDEERO C=CCC[C@@H](CO)[NH2+]Cc1cnn(C)c1C ZINC000320302893 350734115 /nfs/dbraw/zinc/73/41/15/350734115.db2.gz SJJRVMZWEFAORI-LBPRGKRZSA-N 1 0 223.320 1.145 10 30 BDEERO Cc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000382450128 350816045 /nfs/dbraw/zinc/81/60/45/350816045.db2.gz DMGRHAVSEYAYFX-PWSUYJOCSA-N 1 0 230.315 1.223 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382464237 350830233 /nfs/dbraw/zinc/83/02/33/350830233.db2.gz YZZYBLCWRDQAFR-PWSUYJOCSA-N 1 0 230.315 1.801 10 30 BDEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000382457028 350831245 /nfs/dbraw/zinc/83/12/45/350831245.db2.gz KJKONCJIAWAFNV-UWVGGRQHSA-N 1 0 216.288 1.493 10 30 BDEERO CNC(=[NH2+])Nc1cc(Cl)ccc1F ZINC000052069934 350901710 /nfs/dbraw/zinc/90/17/10/350901710.db2.gz GIRDXGODPMINRO-UHFFFAOYSA-N 1 0 201.632 1.645 10 30 BDEERO N#Cc1ccccc1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000616621330 351027300 /nfs/dbraw/zinc/02/73/00/351027300.db2.gz RCHUZDAKNHINAL-CYBMUJFWSA-N 1 0 230.311 1.730 10 30 BDEERO CC(C)[N@@H+]1CCN[C@H](c2cccc(C#N)c2)C1 ZINC000616632791 351113788 /nfs/dbraw/zinc/11/37/88/351113788.db2.gz PUHSCTVODDZJLX-AWEZNQCLSA-N 1 0 229.327 1.913 10 30 BDEERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000616636075 351122996 /nfs/dbraw/zinc/12/29/96/351122996.db2.gz JPQYSXYYWINGJA-CYBMUJFWSA-N 1 0 229.283 1.051 10 30 BDEERO C#C[C@@H](C)Nc1cc(N)[nH+]cc1Br ZINC000306838752 351149409 /nfs/dbraw/zinc/14/94/09/351149409.db2.gz XQPBJKDZNQUKRS-ZCFIWIBFSA-N 1 0 240.104 1.860 10 30 BDEERO N#Cc1ccccc1[C@H]1COCCC[NH2+]1 ZINC000616644639 351162464 /nfs/dbraw/zinc/16/24/64/351162464.db2.gz AOEPZDGKRWJHHG-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000383017071 351165609 /nfs/dbraw/zinc/16/56/09/351165609.db2.gz JTLCVCZTUXJIDT-MRVPVSSYSA-N 1 0 234.259 1.250 10 30 BDEERO N#Cc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616651478 351182625 /nfs/dbraw/zinc/18/26/25/351182625.db2.gz AWUPCPGKTQVWTB-LBPRGKRZSA-N 1 0 202.257 1.609 10 30 BDEERO C[N@@H+]1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616656234 351202621 /nfs/dbraw/zinc/20/26/21/351202621.db2.gz QQHGEBLDRHTVOE-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO C[C@@H]1C[N@H+](CC(C)(C)CS)C[C@H]1O ZINC000306887210 351294479 /nfs/dbraw/zinc/29/44/79/351294479.db2.gz UFYBUVPJICROKL-RKDXNWHRSA-N 1 0 203.351 1.255 10 30 BDEERO C=C(Br)CN[C@@H]1CCC[NH2+]C1 ZINC000168232224 351348501 /nfs/dbraw/zinc/34/85/01/351348501.db2.gz DPLVCSMCWYNDNY-MRVPVSSYSA-N 1 0 219.126 1.237 10 30 BDEERO C[C@H]1C(N=NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307108404 351483608 /nfs/dbraw/zinc/48/36/08/351483608.db2.gz GFAGVGQTHKEBJV-XYSKEJRNSA-N 1 0 245.330 1.120 10 30 BDEERO CCO[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000405284988 352168450 /nfs/dbraw/zinc/16/84/50/352168450.db2.gz DMUKGSFOMMGYFM-TZMCWYRMSA-N 1 0 245.326 1.358 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638454239 352267276 /nfs/dbraw/zinc/26/72/76/352267276.db2.gz DXSNNUKMGQTEHO-NSHDSACASA-N 1 0 224.348 1.705 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000638471271 352281514 /nfs/dbraw/zinc/28/15/14/352281514.db2.gz ACCASADAQGWTFM-IJLUTSLNSA-N 1 0 222.332 1.538 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000307358448 352335006 /nfs/dbraw/zinc/33/50/06/352335006.db2.gz YNHDVFKRYPJRDN-VIFPVBQESA-N 1 0 247.180 1.954 10 30 BDEERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000300367567 352560700 /nfs/dbraw/zinc/56/07/00/352560700.db2.gz LSRRPEYCRYDHNU-YNEHKIRRSA-N 1 0 221.348 1.753 10 30 BDEERO C[C@H]([NH3+])COc1cccc(Cl)c1C#N ZINC000307392038 352569261 /nfs/dbraw/zinc/56/92/61/352569261.db2.gz XRKMSVYVAPFJTQ-ZETCQYMHSA-N 1 0 210.664 1.938 10 30 BDEERO COc1ccc(C(N)=[NH+]N)c(Br)c1 ZINC000307539024 352643351 /nfs/dbraw/zinc/64/33/51/352643351.db2.gz SVTSPLNOYXSACS-UHFFFAOYSA-N 1 0 244.092 1.037 10 30 BDEERO CN/C(=[NH+]/C)N1C[C@H](C)S[C@@H](C)C1 ZINC000307500946 352629455 /nfs/dbraw/zinc/62/94/55/352629455.db2.gz MVSRCFHEEIQMEM-YUMQZZPRSA-N 1 0 201.339 1.017 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@@]1(C)C[NH3+] ZINC000383398282 352917279 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ZINC000584620184 358286917 /nfs/dbraw/zinc/28/69/17/358286917.db2.gz QUUNMXGHNHLCDT-SNVBAGLBSA-N 1 0 241.298 1.598 10 30 BDEERO OCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000124303872 358516208 /nfs/dbraw/zinc/51/62/08/358516208.db2.gz ONUWNBISOXYARA-HNNXBMFYSA-N 1 0 229.323 1.742 10 30 BDEERO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000136249170 358870133 /nfs/dbraw/zinc/87/01/33/358870133.db2.gz ZCNBJWLCKQWELU-DGCLKSJQSA-N 1 0 237.347 1.336 10 30 BDEERO COC(C)(C)C[NH+]1CCC(=NO)CC1 ZINC000306191304 359015039 /nfs/dbraw/zinc/01/50/39/359015039.db2.gz GEUAQQQYNHVKNI-UHFFFAOYSA-N 1 0 200.282 1.337 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC#N ZINC000247100190 359194035 /nfs/dbraw/zinc/19/40/35/359194035.db2.gz IJJUMDOTXUQQCW-STQMWFEESA-N 1 0 221.348 1.849 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000306309548 359590807 /nfs/dbraw/zinc/59/08/07/359590807.db2.gz PFBLRFCYEUYOJH-AEJSXWLSSA-N 1 0 200.713 1.408 10 30 BDEERO C[C@@H](CS)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306312783 359593980 /nfs/dbraw/zinc/59/39/80/359593980.db2.gz NVCMDAGIGNXAHM-RKDXNWHRSA-N 1 0 203.351 1.398 10 30 BDEERO N#Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449509 359643570 /nfs/dbraw/zinc/64/35/70/359643570.db2.gz JPCPIQSFECCNGL-WCQYABFASA-N 1 0 243.310 1.872 10 30 BDEERO C#CCOc1cccc(C[NH2+]CCCO)c1 ZINC000045946060 359745473 /nfs/dbraw/zinc/74/54/73/359745473.db2.gz HWOOBBQYPXPYQE-UHFFFAOYSA-N 1 0 219.284 1.171 10 30 BDEERO C#CCOc1ccc(C[NH2+]CCCO)cc1OC ZINC000045946049 359746251 /nfs/dbraw/zinc/74/62/51/359746251.db2.gz BQJDOPBFQXTUSS-UHFFFAOYSA-N 1 0 249.310 1.179 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000306557210 360430040 /nfs/dbraw/zinc/43/00/40/360430040.db2.gz NOTASFJJNYPKQC-IVZWLZJFSA-N 1 0 203.351 1.662 10 30 BDEERO CC(C)(C)C#CCC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000300751560 360454727 /nfs/dbraw/zinc/45/47/27/360454727.db2.gz LGYKNGDFMXRNHS-WDEREUQCSA-N 1 0 205.301 1.899 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000389806491 360455584 /nfs/dbraw/zinc/45/55/84/360455584.db2.gz LMFDRKINJZNDIZ-CYBMUJFWSA-N 1 0 231.299 1.349 10 30 BDEERO CC(C)/[NH+]=C(/NN)C1CCSCC1 ZINC000379463026 360937103 /nfs/dbraw/zinc/93/71/03/360937103.db2.gz UYSJSPFPZVTPQN-UHFFFAOYSA-N 1 0 201.339 1.400 10 30 BDEERO CC(C)COCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000158895920 361214089 /nfs/dbraw/zinc/21/40/89/361214089.db2.gz PYCXQFFZGUDZFT-VXGBXAGGSA-N 1 0 210.321 1.941 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@@H+]1CC1(CS)CC1 ZINC000306624931 361284751 /nfs/dbraw/zinc/28/47/51/361284751.db2.gz GFAUDUIMUXIDAP-RKDXNWHRSA-N 1 0 201.335 1.152 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037165126 361710218 /nfs/dbraw/zinc/71/02/18/361710218.db2.gz YWELEYRONQWUBG-KGLIPLIRSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1ccc(CN2CCCCC2=O)cc1 ZINC000049587710 181346698 /nfs/dbraw/zinc/34/66/98/181346698.db2.gz XMHDAZWUDVCTON-UHFFFAOYSA-N 1 0 242.322 1.509 10 30 BDEERO [NH3+]CC#Cc1ccccc1NC(=O)C1CC1 ZINC000037471182 181348103 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ZINC000251485829 135069614 /nfs/dbraw/zinc/06/96/14/135069614.db2.gz GAMOWWIKURNUOH-AGIUHOORSA-N 1 0 222.332 1.916 10 30 BDEERO CC#CCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252895658 135115952 /nfs/dbraw/zinc/11/59/52/135115952.db2.gz ZEHCVNWQURHHJP-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO CC(C)[C@H]1OCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262546193 135119523 /nfs/dbraw/zinc/11/95/23/135119523.db2.gz VKTSXPGMBWKMPS-VXGBXAGGSA-N 1 0 241.379 1.527 10 30 BDEERO Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])ccc1C#N ZINC000261571086 135213282 /nfs/dbraw/zinc/21/32/82/135213282.db2.gz KUPJHAMSNHRINH-GWCFXTLKSA-N 1 0 244.342 1.825 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCO[C@H]1C(C)C ZINC000261640299 135242943 /nfs/dbraw/zinc/24/29/43/135242943.db2.gz KWVXHVZHTFXIHS-TUAOUCFPSA-N 1 0 241.379 1.750 10 30 BDEERO [NH2+]=C(NCc1nccc2ccccc21)NC1CC1 ZINC000261697463 135246758 /nfs/dbraw/zinc/24/67/58/135246758.db2.gz CBJYCYWFQOMNPU-UHFFFAOYSA-N 1 0 240.310 1.802 10 30 BDEERO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000262011146 135272058 /nfs/dbraw/zinc/27/20/58/135272058.db2.gz UBEXYLVSWANKFL-PSASIEDQSA-N 1 0 249.314 1.839 10 30 BDEERO C=C(C)CNC(=[NH2+])NCCN1CC=C(C)CC1 ZINC000262287901 135290379 /nfs/dbraw/zinc/29/03/79/135290379.db2.gz KQEHKFTYPKBEDW-UHFFFAOYSA-N 1 0 236.363 1.119 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1COc2cccc(Cl)c21 ZINC000262312785 135292351 /nfs/dbraw/zinc/29/23/51/135292351.db2.gz TUUWYFXNFHXRJA-MRVPVSSYSA-N 1 0 239.706 1.650 10 30 BDEERO CNC(N[C@H]1COc2cccc(Cl)c21)=[NH+]C ZINC000262339065 135293869 /nfs/dbraw/zinc/29/38/69/135293869.db2.gz ZZOARKUUTKHIRE-QMMMGPOBSA-N 1 0 239.706 1.568 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262422323 135296336 /nfs/dbraw/zinc/29/63/36/135296336.db2.gz BNKOKLQFEUOJOZ-HBNTYKKESA-N 1 0 225.336 1.210 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CCCC1 ZINC000262465223 135300744 /nfs/dbraw/zinc/30/07/44/135300744.db2.gz CYARLWPSGKFCQM-JQWIXIFHSA-N 1 0 239.363 1.255 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CCCC1 ZINC000262465221 135301176 /nfs/dbraw/zinc/30/11/76/135301176.db2.gz CYARLWPSGKFCQM-CMPLNLGQSA-N 1 0 239.363 1.255 10 30 BDEERO CC[NH+]=C(NCC(C)C)NC[C@@H]1CCC[C@H]1O ZINC000262485547 135302082 /nfs/dbraw/zinc/30/20/82/135302082.db2.gz YAVJPMANMMGPLM-NWDGAFQWSA-N 1 0 241.379 1.359 10 30 BDEERO C[C@@H]1C[NH+]=C(N[C@@H]2CCC23CCCC3)N1 ZINC000262647976 135311060 /nfs/dbraw/zinc/31/10/60/135311060.db2.gz JOSRKHIBVLRYQT-NXEZZACHSA-N 1 0 207.321 1.647 10 30 BDEERO C[C@@H]1C[NH+]=C(NCCc2cccc(C#N)c2)N1 ZINC000262660999 135311686 /nfs/dbraw/zinc/31/16/86/135311686.db2.gz MXNUKJVDLBDNGI-SNVBAGLBSA-N 1 0 228.299 1.038 10 30 BDEERO C[C@@H]1C[NH+]=C(NCc2nccc3ccccc32)N1 ZINC000262675885 135313357 /nfs/dbraw/zinc/31/33/57/135313357.db2.gz TYBXLLXRBBSCQC-SNVBAGLBSA-N 1 0 240.310 1.672 10 30 BDEERO C[NH+]=C(NCc1scnc1C)N[C@@H]1C[C@H]1C ZINC000262854862 135321785 /nfs/dbraw/zinc/32/17/85/135321785.db2.gz XWWMMGXJHPNAIC-VXNVDRBHSA-N 1 0 238.360 1.525 10 30 BDEERO CN1CCC[NH+]=C1N[C@H]1COc2ccc(F)cc21 ZINC000263054061 135329925 /nfs/dbraw/zinc/32/99/25/135329925.db2.gz DUJCQRPUXYPIDP-NSHDSACASA-N 1 0 249.289 1.540 10 30 BDEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])N1CCC1 ZINC000263111050 135333702 /nfs/dbraw/zinc/33/37/02/135333702.db2.gz KZVMGGVHPIWWKL-UHFFFAOYSA-N 1 0 246.358 1.688 10 30 BDEERO C[C@@H]1C[C@@H](CNC2=[NH+]CCCN2C)C[C@H](C)O1 ZINC000263180615 135338176 /nfs/dbraw/zinc/33/81/76/135338176.db2.gz UFSVFPNGXWMQQC-ZSBIGDGJSA-N 1 0 239.363 1.471 10 30 BDEERO C[C@H]1CN(CC2(C#N)CC2)C[C@@H]1[NH+](C)C ZINC000334324129 135352830 /nfs/dbraw/zinc/35/28/30/135352830.db2.gz ZZAGNIKSKIHQEY-QWRGUYRKSA-N 1 0 207.321 1.172 10 30 BDEERO N#CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000079840022 135397259 /nfs/dbraw/zinc/39/72/59/135397259.db2.gz UCHQMPYBROMXJN-NEPJUHHUSA-N 1 0 208.305 1.525 10 30 BDEERO CC(C)CC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000079812355 135397281 /nfs/dbraw/zinc/39/72/81/135397281.db2.gz CZKNBHQBSQEAHA-SNVBAGLBSA-N 1 0 213.325 1.633 10 30 BDEERO N#Cc1cccc(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000034409278 136096005 /nfs/dbraw/zinc/09/60/05/136096005.db2.gz MMEHFLFBVOVBKH-CQSZACIVSA-N 1 0 229.327 1.871 10 30 BDEERO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+](C)C ZINC000407988024 397801787 /nfs/dbraw/zinc/80/17/87/397801787.db2.gz BNYNITOWXIHFJT-GMTAPVOTSA-N 1 0 223.320 1.135 10 30 BDEERO CC(C)(CS)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000157547611 397935400 /nfs/dbraw/zinc/93/54/00/397935400.db2.gz DATUGAIWXMWAMP-LLVKDONJSA-N 1 0 217.378 1.789 10 30 BDEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC#N ZINC000245413450 398115485 /nfs/dbraw/zinc/11/54/85/398115485.db2.gz BKNMEJJJVQWHAO-STQMWFEESA-N 1 0 221.348 1.849 10 30 BDEERO CC(C)[NH2+]CCN(C)Cc1cccc(C#N)c1 ZINC000061941947 167103191 /nfs/dbraw/zinc/10/31/91/167103191.db2.gz BZIWWFVPZSBYSQ-UHFFFAOYSA-N 1 0 231.343 1.988 10 30 BDEERO C#CC[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000034937757 166191271 /nfs/dbraw/zinc/19/12/71/166191271.db2.gz VSWHWTAYMFGCIR-NSHDSACASA-N 1 0 208.305 1.000 10 30 BDEERO C#CCOc1cc2c(cc1C[NH2+]CCC)OCO2 ZINC000042874721 166197758 /nfs/dbraw/zinc/19/77/58/166197758.db2.gz QXHHQSNICYRFNI-UHFFFAOYSA-N 1 0 247.294 1.927 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000054337612 166222280 /nfs/dbraw/zinc/22/22/80/166222280.db2.gz HVPNJPFLOGROKQ-SECBINFHSA-N 1 0 202.257 1.201 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H](C)C[NH2+]CC)c1 ZINC000061228435 166222669 /nfs/dbraw/zinc/22/26/69/166222669.db2.gz BDVAGOBMVNFMDA-LLVKDONJSA-N 1 0 230.311 1.852 10 30 BDEERO C=CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C ZINC000037817749 166310462 /nfs/dbraw/zinc/31/04/62/166310462.db2.gz LEUNJBJGYQNDEL-CQSZACIVSA-N 1 0 246.354 1.979 10 30 BDEERO C=CCN(CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000032089736 166341393 /nfs/dbraw/zinc/34/13/93/166341393.db2.gz NXNKOACJSHEOKR-UHFFFAOYSA-N 1 0 234.299 1.362 10 30 BDEERO C=CCN(Cc1ccccc1OC)C(=O)C[NH3+] ZINC000032089746 166345498 /nfs/dbraw/zinc/34/54/98/166345498.db2.gz JFTLQZSLHFZMFS-UHFFFAOYSA-N 1 0 234.299 1.169 10 30 BDEERO C=CCNC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1 ZINC000037720405 166388610 /nfs/dbraw/zinc/38/86/10/166388610.db2.gz DLEKGZWNHFRZLG-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO C=CC[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C ZINC000095081768 166399338 /nfs/dbraw/zinc/39/93/38/166399338.db2.gz UCXQOZBYORACHJ-NSHDSACASA-N 1 0 230.311 1.740 10 30 BDEERO CC(C)CN[C@@]1(C#N)CCN(C2CC2)C1 ZINC000061990927 167012548 /nfs/dbraw/zinc/01/25/48/167012548.db2.gz XMAKNVXYPQWXBY-GFCCVEGCSA-N 1 0 207.321 1.362 10 30 BDEERO CC(C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037473209 167089847 /nfs/dbraw/zinc/08/98/47/167089847.db2.gz TXIIRWQOTCGVOL-UHFFFAOYSA-N 1 0 216.284 1.135 10 30 BDEERO CC(C)OCCOCc1ccccc1C#CC[NH3+] ZINC000049610774 167248983 /nfs/dbraw/zinc/24/89/83/167248983.db2.gz QCOPFOKZRLHLFV-UHFFFAOYSA-N 1 0 247.338 1.938 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044825958 167340015 /nfs/dbraw/zinc/34/00/15/167340015.db2.gz PKZIJNMEPFZZHJ-WDEREUQCSA-N 1 0 225.336 1.239 10 30 BDEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659330712 411395990 /nfs/dbraw/zinc/39/59/90/411395990.db2.gz ZOQREKRJKBXNAO-UPJWGTAASA-N 1 0 236.359 1.847 10 30 BDEERO CCNC(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000037471293 170084409 /nfs/dbraw/zinc/08/44/09/170084409.db2.gz XWBKHZQMPRTOTM-UHFFFAOYSA-N 1 0 217.272 1.138 10 30 BDEERO CC[C@@]1(C(=O)N(C)C[C@@H](C)C#N)CCC[NH2+]C1 ZINC000062857645 171194689 /nfs/dbraw/zinc/19/46/89/171194689.db2.gz MZUBDAMMEUGJIB-WCQYABFASA-N 1 0 237.347 1.384 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)CC#N ZINC000038014562 171322798 /nfs/dbraw/zinc/32/27/98/171322798.db2.gz NBXFTHJIXPRZLQ-UWVGGRQHSA-N 1 0 211.309 1.183 10 30 BDEERO C=CCCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000220240959 412128597 /nfs/dbraw/zinc/12/85/97/412128597.db2.gz QERGMNJLDLZWLY-NSHDSACASA-N 1 0 212.337 1.784 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662631071 412250453 /nfs/dbraw/zinc/25/04/53/412250453.db2.gz PALIOXCYOWVLKA-NEPJUHHUSA-N 1 0 222.332 1.411 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC)C1 ZINC000662634706 412251208 /nfs/dbraw/zinc/25/12/08/412251208.db2.gz IFZMOCKZIYIAOQ-VXGBXAGGSA-N 1 0 224.348 1.929 10 30 BDEERO C=CCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662983000 412363323 /nfs/dbraw/zinc/36/33/23/412363323.db2.gz HGUKSGDPJQCQKM-ZETCQYMHSA-N 1 0 224.226 1.301 10 30 BDEERO CN(C(=O)CCC[NH3+])c1cccc(C#N)c1 ZINC000061980920 172304794 /nfs/dbraw/zinc/30/47/94/172304794.db2.gz RXBLRZKYNKYMHA-UHFFFAOYSA-N 1 0 217.272 1.260 10 30 BDEERO CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054828053 172360011 /nfs/dbraw/zinc/36/00/11/172360011.db2.gz FDOREBMTNXSVJQ-WDEREUQCSA-N 1 0 223.320 1.137 10 30 BDEERO C[NH2+]C[C@H]1CCN(c2ccccc2C#N)C1 ZINC000070800357 173381660 /nfs/dbraw/zinc/38/16/60/173381660.db2.gz PVCCQQCZJNSDSY-LLVKDONJSA-N 1 0 215.300 1.604 10 30 BDEERO CN[C@@H](C#N)CC[NH+]1CCCCCCC1 ZINC000062368213 173409473 /nfs/dbraw/zinc/40/94/73/173409473.db2.gz FQTMTBJRGRNZAI-GFCCVEGCSA-N 1 0 209.337 1.754 10 30 BDEERO C[NH2+][C@H]1c2ccc(N(C)CCC#N)cc2NC1=O ZINC000036194088 173430338 /nfs/dbraw/zinc/43/03/38/173430338.db2.gz NFZUVZSPLXRBLL-LBPRGKRZSA-N 1 0 244.298 1.249 10 30 BDEERO COC1CC[NH+](CC[C@H](C#N)NC2CC2)CC1 ZINC000062434649 174027590 /nfs/dbraw/zinc/02/75/90/174027590.db2.gz DBJLYSIMVBIQIQ-GFCCVEGCSA-N 1 0 237.347 1.131 10 30 BDEERO COCCC[NH2+]Cc1cc(C#N)ccc1F ZINC000036923993 174247549 /nfs/dbraw/zinc/24/75/49/174247549.db2.gz ULGMEQIKGSPOMF-UHFFFAOYSA-N 1 0 222.263 1.823 10 30 BDEERO COCCOCc1cc(C#CC[NH3+])ccc1OC ZINC000049610713 174364764 /nfs/dbraw/zinc/36/47/64/174364764.db2.gz FDGBSWIKOLFKKZ-UHFFFAOYSA-N 1 0 249.310 1.168 10 30 BDEERO COc1cccc(C2(C#N)CC[NH2+]CC2)c1 ZINC000071519677 175248268 /nfs/dbraw/zinc/24/82/68/175248268.db2.gz FVFBOUOVXMIUQX-UHFFFAOYSA-N 1 0 216.284 1.840 10 30 BDEERO COc1cccc([C@H](C#N)N2CCN(C)CC2)c1 ZINC000019934328 175291726 /nfs/dbraw/zinc/29/17/26/175291726.db2.gz CIJFLWMNEYSIRE-AWEZNQCLSA-N 1 0 245.326 1.507 10 30 BDEERO COc1ccccc1[C@@H](C[NH3+])N(C)CCC#N ZINC000043096984 175345677 /nfs/dbraw/zinc/34/56/77/175345677.db2.gz UILDWROXBFQFQR-GFCCVEGCSA-N 1 0 233.315 1.540 10 30 BDEERO C[C@@H](C[NH3+])C(=O)N(C)Cc1cccc(C#N)c1 ZINC000054341058 175704374 /nfs/dbraw/zinc/70/43/74/175704374.db2.gz QCNZRZNPNVPOEV-JTQLQIEISA-N 1 0 231.299 1.111 10 30 BDEERO C[C@@H](S)[C@H]1[NH2+]CCc2c(O)cccc21 ZINC000083703577 176007147 /nfs/dbraw/zinc/00/71/47/176007147.db2.gz ZOIURIRUHOYREX-RDDDGLTNSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H](c1cccc(C#CC[NH3+])c1)N1CCCC1=O ZINC000049587786 176016813 /nfs/dbraw/zinc/01/68/13/176016813.db2.gz MZROVDPOTZMECQ-LBPRGKRZSA-N 1 0 242.322 1.680 10 30 BDEERO C[C@H](CC[NH3+])Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000310557406 176628041 /nfs/dbraw/zinc/62/80/41/176628041.db2.gz YZVQSHPHGLEERI-SSDOTTSWSA-N 1 0 235.247 1.011 10 30 BDEERO C[C@H]([NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000104223223 176760565 /nfs/dbraw/zinc/76/05/65/176760565.db2.gz MPOXVKKICHPDGV-VIFPVBQESA-N 1 0 226.283 1.866 10 30 BDEERO C[C@H]([NH3+])c1ccc(N(CC#N)CC#N)cc1 ZINC000019872243 176776977 /nfs/dbraw/zinc/77/69/77/176776977.db2.gz DCQRIBUFXZSKND-JTQLQIEISA-N 1 0 214.272 1.560 10 30 BDEERO C[C@H](S)[C@H]1[NH2+]CCc2cccc(O)c21 ZINC000083660560 177025836 /nfs/dbraw/zinc/02/58/36/177025836.db2.gz FPASJYBOJPXPLI-WRWORJQWSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1CN(c2ccnc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251558204 177276939 /nfs/dbraw/zinc/27/69/39/177276939.db2.gz BNRPNQMIJNBYKV-GXFFZTMASA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1COCCN1Cc1cccc(C#CC[NH3+])c1 ZINC000049609140 177292522 /nfs/dbraw/zinc/29/25/22/177292522.db2.gz DDIQSRSANDJREL-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO N#CCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000336507447 224793231 /nfs/dbraw/zinc/79/32/31/224793231.db2.gz OYTPXNBPCRDKBE-UHFFFAOYSA-N 1 0 208.305 1.527 10 30 BDEERO Cc1cc(N[C@H](C)CC[NH3+])cc(C#N)n1 ZINC000308238404 229224873 /nfs/dbraw/zinc/22/48/73/229224873.db2.gz JBPAQNIPIKVOTC-MRVPVSSYSA-N 1 0 204.277 1.411 10 30 BDEERO Cc1cc(N2CCC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308240506 229225239 /nfs/dbraw/zinc/22/52/39/229225239.db2.gz MDAHXLLQCDTXJH-JTQLQIEISA-N 1 0 216.288 1.189 10 30 BDEERO C[C@H](Nc1cc(C#N)ncn1)[C@H]1CCC[NH2+]C1 ZINC000393888065 269881722 /nfs/dbraw/zinc/88/17/22/269881722.db2.gz VXQNQEMXBJHHKE-UWVGGRQHSA-N 1 0 231.303 1.148 10 30 BDEERO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c(C#N)cn1 ZINC000398952670 267342165 /nfs/dbraw/zinc/34/21/65/267342165.db2.gz CQPZGPVVKAEUNE-MNOVXSKESA-N 1 0 230.315 1.435 10 30 BDEERO C[C@@H](CC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113710368 323191451 /nfs/dbraw/zinc/19/14/51/323191451.db2.gz IBUWPXMBPBVNLK-NWDGAFQWSA-N 1 0 207.321 1.459 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C#N)n1 ZINC000311001246 325112549 /nfs/dbraw/zinc/11/25/49/325112549.db2.gz IJLQRXUDWQGZJC-MNOVXSKESA-N 1 0 243.314 1.021 10 30 BDEERO C=CCN(C(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000083933926 487969984 /nfs/dbraw/zinc/96/99/84/487969984.db2.gz BBQKGRUNQRBKDW-UHFFFAOYSA-N 1 0 222.332 1.681 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)o1 ZINC000135482856 487973787 /nfs/dbraw/zinc/97/37/87/487973787.db2.gz CNUOQVHPAWXTFM-ZJUUUORDSA-N 1 0 220.272 1.544 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000394453888 487537816 /nfs/dbraw/zinc/53/78/16/487537816.db2.gz IGCWNZQKILTRQE-HTQZYQBOSA-N 1 0 234.259 1.614 10 30 BDEERO C=C1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000382560980 487547517 /nfs/dbraw/zinc/54/75/17/487547517.db2.gz UGOBXPZHLWTEEG-NSHDSACASA-N 1 0 210.321 1.538 10 30 BDEERO CCCCCCCCOC(=O)CNC(=[NH2+])NC ZINC000584650174 490177848 /nfs/dbraw/zinc/17/78/48/490177848.db2.gz JVEHYMAUMZYRED-UHFFFAOYSA-N 1 0 243.351 1.634 10 30 BDEERO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308245251 533909460 /nfs/dbraw/zinc/90/94/60/533909460.db2.gz QSVQCMLQXKYIDF-QWRGUYRKSA-N 1 0 230.315 1.435 10 30 BDEERO C=CCCC[C@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189324371 534760040 /nfs/dbraw/zinc/76/00/40/534760040.db2.gz VHLYSJLMGPEAQW-SDDRHHMPSA-N 1 0 240.347 1.224 10 30 BDEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000179584722 534995995 /nfs/dbraw/zinc/99/59/95/534995995.db2.gz MGPFKDOYZSUOCA-JTQLQIEISA-N 1 0 223.320 1.266 10 30 BDEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)NCC1CCC1 ZINC000262727287 535262988 /nfs/dbraw/zinc/26/29/88/535262988.db2.gz AJZMCFCABROTAK-JQWIXIFHSA-N 1 0 223.364 1.998 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@H]1CC1(C)C ZINC000262694605 535265568 /nfs/dbraw/zinc/26/55/68/535265568.db2.gz DEJNWPLELHYUBD-AEJSXWLSSA-N 1 0 209.337 1.748 10 30 BDEERO C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000259958472 536334682 /nfs/dbraw/zinc/33/46/82/536334682.db2.gz SGGNGOWRTXDNHF-NEPJUHHUSA-N 1 0 235.331 1.137 10 30 BDEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nn(C)cc2CC#N)C1 ZINC000675052931 566412332 /nfs/dbraw/zinc/41/23/32/566412332.db2.gz CJLIBXRCNJLKMW-TXEJJXNPSA-N 1 0 246.358 1.964 10 30 BDEERO C[C@H]1C[C@H](C)C[NH+](Cc2nn(C)cc2CC#N)C1 ZINC000675052924 566412408 /nfs/dbraw/zinc/41/24/08/566412408.db2.gz CJLIBXRCNJLKMW-RYUDHWBXSA-N 1 0 246.358 1.964 10 30 BDEERO C#C[C@@H](CO)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757154034 582538938 /nfs/dbraw/zinc/53/89/38/582538938.db2.gz UPDXWHWCNRJFMS-NSHDSACASA-N 1 0 223.703 1.732 10 30 BDEERO CCC[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698566 582806469 /nfs/dbraw/zinc/80/64/69/582806469.db2.gz JBMGIMKFWOZKSL-UHFFFAOYSA-N 1 0 223.341 1.934 10 30 BDEERO C=C(Cl)CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105912852 588229503 /nfs/dbraw/zinc/22/95/03/588229503.db2.gz VPYWRBDSCQXZJF-VXGBXAGGSA-N 1 0 246.782 1.516 10 30 BDEERO C=C(Cl)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000105914635 588229526 /nfs/dbraw/zinc/22/95/26/588229526.db2.gz YPQKYSRCDQVFRJ-LBPRGKRZSA-N 1 0 246.782 1.782 10 30 BDEERO N#Cc1sc(N2CCC[C@H]2C[NH3+])nc1Cl ZINC000300057829 592502414 /nfs/dbraw/zinc/50/24/14/592502414.db2.gz SJXGCZVGGDSOMB-LURJTMIESA-N 1 0 242.735 1.596 10 30 BDEERO C#CCCCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000300395879 592509999 /nfs/dbraw/zinc/50/99/99/592509999.db2.gz MJOHISXTOLHZCN-ZIAGYGMSSA-N 1 0 220.360 1.958 10 30 BDEERO C[C@H](Nc1cc(C#N)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000393888066 631224063 /nfs/dbraw/zinc/22/40/63/631224063.db2.gz VXQNQEMXBJHHKE-VHSXEESVSA-N 1 0 231.303 1.148 10 30 BDEERO C=CC[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000308867232 631697551 /nfs/dbraw/zinc/69/75/51/631697551.db2.gz GPKXNSHCIHKRCW-ZDUSSCGKSA-N 1 0 205.301 1.756 10 30 BDEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000310751907 632938012 /nfs/dbraw/zinc/93/80/12/632938012.db2.gz INOALECXKKLYDY-KCJUWKMLSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000310258123 634102390 /nfs/dbraw/zinc/10/23/90/634102390.db2.gz FVZHWMDBXNGUQK-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO C[S@](=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000229184736 640931076 /nfs/dbraw/zinc/93/10/76/640931076.db2.gz WGLFPHMINOAZDB-RULNRJAQSA-N 1 0 214.334 1.037 10 30 BDEERO COC1CC([NH2+]Cc2ccc(C#N)o2)C1 ZINC000230690723 641089719 /nfs/dbraw/zinc/08/97/19/641089719.db2.gz FLGGNYINTDMUGI-UHFFFAOYSA-N 1 0 206.245 1.418 10 30 BDEERO C#CCC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000069768616 642902391 /nfs/dbraw/zinc/90/23/91/642902391.db2.gz USEDASQLSSTOEK-UHFFFAOYSA-N 1 0 216.284 1.159 10 30 BDEERO [NH3+]C1(CCC=O)CCN(Cc2ccccc2)CC1 ZINC000757171417 643353148 /nfs/dbraw/zinc/35/31/48/643353148.db2.gz CDQTURUNBBUQDH-UHFFFAOYSA-N 1 0 246.354 1.959 10 30 BDEERO C#C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000186006678 643422549 /nfs/dbraw/zinc/42/25/49/643422549.db2.gz OPRDUPRQRHUHHJ-NWDGAFQWSA-N 1 0 237.347 1.134 10 30 BDEERO C#C[C@H](C)NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248615517 644692450 /nfs/dbraw/zinc/69/24/50/644692450.db2.gz ZJKBRGXGALUGPD-GRYCIOLGSA-N 1 0 237.347 1.036 10 30 BDEERO C#CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000304390280 644901208 /nfs/dbraw/zinc/90/12/08/644901208.db2.gz YLMDAXGLVSEECU-UHFFFAOYSA-N 1 0 217.316 1.887 10 30 BDEERO N#Cc1cccc(N2CC[C@H](CC[NH3+])C2)n1 ZINC000723682770 711533953 /nfs/dbraw/zinc/53/39/53/711533953.db2.gz JUWRDDJHIICBCI-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1ccc(N2CC[C@@H](CC[NH3+])C2)nc1 ZINC000723683665 711534214 /nfs/dbraw/zinc/53/42/14/711534214.db2.gz SQKMFPBOFBBLLK-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)c(C#N)cn1 ZINC000723902439 711544735 /nfs/dbraw/zinc/54/47/35/711544735.db2.gz OCVUNGTZXZFTMF-ZYHUDNBSSA-N 1 0 244.342 1.683 10 30 BDEERO C[N@@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCO1 ZINC000721501032 711567130 /nfs/dbraw/zinc/56/71/30/711567130.db2.gz QCPRQABZFOWJMV-ZDUSSCGKSA-N 1 0 231.299 1.564 10 30 BDEERO N#Cc1cccc(NC(=O)C2CC([NH3+])C2)c1 ZINC000258738111 711741158 /nfs/dbraw/zinc/74/11/58/711741158.db2.gz NDEKTSJJMWYICK-UHFFFAOYSA-N 1 0 215.256 1.234 10 30 BDEERO Cc1cc(C#N)cc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715141921 712512050 /nfs/dbraw/zinc/51/20/50/712512050.db2.gz QPJINNAJECGRSI-PHIMTYICSA-N 1 0 216.288 1.411 10 30 BDEERO CC#CC[C@H](CO)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000717741103 712668483 /nfs/dbraw/zinc/66/84/83/712668483.db2.gz VLUBWYHPHAKSSD-FDYHWXHSSA-N 1 0 209.333 1.785 10 30 BDEERO CC1(C)CN(c2ccc(C#N)nc2)C[C@@H]1[NH3+] ZINC000720747076 712863028 /nfs/dbraw/zinc/86/30/28/712863028.db2.gz JUBBXNFWVSZMGG-NSHDSACASA-N 1 0 216.288 1.127 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cccc(C#N)n1 ZINC000721098223 712890881 /nfs/dbraw/zinc/89/08/81/712890881.db2.gz SKCBWUVHJTZVLS-GHMZBOCLSA-N 1 0 230.315 1.611 10 30 BDEERO CC[NH2+][C@H](C)CC#CC(=O)OC(C)(C)C ZINC000685954707 538899100 /nfs/dbraw/zinc/89/91/00/538899100.db2.gz YWHXNCJYJXABLZ-SNVBAGLBSA-N 1 0 211.305 1.720 10 30 BDEERO C=C[C@@H](C)NCC(F)(F)C(=O)OCC ZINC000685956901 538901889 /nfs/dbraw/zinc/90/18/89/538901889.db2.gz JCYDBQYFDHWYAK-SSDOTTSWSA-N 1 0 207.220 1.349 10 30 BDEERO CC(C)(C[NH3+])Nc1ccc(C#N)cc1F ZINC000063020907 187323451 /nfs/dbraw/zinc/32/34/51/187323451.db2.gz WHBZWTVTIVKSSP-UHFFFAOYSA-N 1 0 207.252 1.847 10 30 BDEERO Cc1cc([C@@H](C#N)N2CC[NH2+]CC2)c(C)s1 ZINC000049687496 178219194 /nfs/dbraw/zinc/21/91/94/178219194.db2.gz CARFNIVMZFEUTC-GFCCVEGCSA-N 1 0 235.356 1.835 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320465737 342733906 /nfs/dbraw/zinc/73/39/06/342733906.db2.gz FFOZLDFBGDWOTI-PSASIEDQSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1cc(C#N)ccn1 ZINC000320756203 342737626 /nfs/dbraw/zinc/73/76/26/342737626.db2.gz WNTKBWSKSWPKTP-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000380171764 538986937 /nfs/dbraw/zinc/98/69/37/538986937.db2.gz DRECSUCGMJEFFN-DCAQKATOSA-N 1 0 208.305 1.045 10 30 BDEERO CNC(=[NH+]N)c1ccc(Br)cc1 ZINC000042035337 361927414 /nfs/dbraw/zinc/92/74/14/361927414.db2.gz KSVQMQPBDONXCW-UHFFFAOYSA-N 1 0 228.093 1.289 10 30 BDEERO C#C[C@H](CC)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000229896461 342853275 /nfs/dbraw/zinc/85/32/75/342853275.db2.gz VHIWDSVJSAAQJV-SNVBAGLBSA-N 1 0 238.331 1.607 10 30 BDEERO CN(Cc1ccccc1)C(NC1CC1)=[NH+]N ZINC000164969882 342860875 /nfs/dbraw/zinc/86/08/75/342860875.db2.gz SAZVMMUQNNHYGS-UHFFFAOYSA-N 1 0 218.304 1.100 10 30 BDEERO CC[C@H](C#N)N(CC[NH3+])Cc1ccccc1 ZINC000233974886 342916862 /nfs/dbraw/zinc/91/68/62/342916862.db2.gz CJTQEODUDBBIJY-CYBMUJFWSA-N 1 0 217.316 1.749 10 30 BDEERO C=CCOCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000339020322 136271274 /nfs/dbraw/zinc/27/12/74/136271274.db2.gz GMWFIUMJIIHIJF-ZIAGYGMSSA-N 1 0 239.359 1.816 10 30 BDEERO C/C(=N\O)c1ccccc1OCC[NH+](C)C ZINC000019511976 187252578 /nfs/dbraw/zinc/25/25/78/187252578.db2.gz PWHGZWLNCVMPLI-JLHYYAGUSA-N 1 0 222.288 1.825 10 30 BDEERO N#C[C@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000019269406 187251796 /nfs/dbraw/zinc/25/17/96/187251796.db2.gz DTWPKOONZCRPCO-GFCCVEGCSA-N 1 0 219.263 1.296 10 30 BDEERO CCCCCCCCC([NH3+])(CO)CO ZINC000038154234 187254866 /nfs/dbraw/zinc/25/48/66/187254866.db2.gz XLBSLUFAIWWGSL-UHFFFAOYSA-N 1 0 203.326 1.419 10 30 BDEERO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C#N)cc1 ZINC000037748540 187259805 /nfs/dbraw/zinc/25/98/05/187259805.db2.gz BCPCWNOSXZKALZ-CYBMUJFWSA-N 1 0 245.326 1.548 10 30 BDEERO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1C#N)[NH+](C)C ZINC000408368411 133477172 /nfs/dbraw/zinc/47/71/72/133477172.db2.gz HVHUOKFVPWXTRP-WOPDTQHZSA-N 1 0 237.347 1.381 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000083466257 343486865 /nfs/dbraw/zinc/48/68/65/343486865.db2.gz QFSQPUGJNZJSHW-GHMZBOCLSA-N 1 0 208.305 1.573 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000306309555 343769546 /nfs/dbraw/zinc/76/95/46/343769546.db2.gz PFBLRFCYEUYOJH-LPEHRKFASA-N 1 0 200.713 1.408 10 30 BDEERO N#Cc1ccnc(NCC[NH2+]C2CC2)c1 ZINC000054267801 343884600 /nfs/dbraw/zinc/88/46/00/343884600.db2.gz BTBPTHCTOBMMLX-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO C#C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000307485105 343936707 /nfs/dbraw/zinc/93/67/07/343936707.db2.gz BONFYSFFGKUMLT-CYBMUJFWSA-N 1 0 201.269 1.257 10 30 BDEERO C=C([C@H]([NH3+])[C@H]1OCC[C@@H]1C)C(F)(F)F ZINC000307759507 343959638 /nfs/dbraw/zinc/95/96/38/343959638.db2.gz RXDPDZGADJTTDC-GEVIPFJHSA-N 1 0 209.211 1.857 10 30 BDEERO N#Cc1nc(C2CCC2)oc1N1CC[NH2+]CC1 ZINC000616574865 344189535 /nfs/dbraw/zinc/18/95/35/344189535.db2.gz ZGWPLHTYKWWTNU-UHFFFAOYSA-N 1 0 232.287 1.223 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1 ZINC000600957656 344419352 /nfs/dbraw/zinc/41/93/52/344419352.db2.gz RUEVAERRTADGOA-JOYOIKCWSA-N 1 0 201.273 1.721 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000054824298 344457691 /nfs/dbraw/zinc/45/76/91/344457691.db2.gz LWTPOISJNULTRM-SDDRHHMPSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1nnc(N[C@H](C)[C@H](C)[NH3+])c(C#N)c1C ZINC000381640743 344529022 /nfs/dbraw/zinc/52/90/22/344529022.db2.gz WXRKNLKSHKQPJZ-IONNQARKSA-N 1 0 219.292 1.113 10 30 BDEERO Cc1nnc(N[C@H](C)[C@@H](C)[NH3+])c(C#N)c1C ZINC000381640744 344529116 /nfs/dbraw/zinc/52/91/16/344529116.db2.gz WXRKNLKSHKQPJZ-VXNVDRBHSA-N 1 0 219.292 1.113 10 30 BDEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(F)c1C#N ZINC000104211391 187292210 /nfs/dbraw/zinc/29/22/10/187292210.db2.gz YJHDQADUASXOLX-WCBMZHEXSA-N 1 0 247.273 1.491 10 30 BDEERO CC#CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247882114 344695614 /nfs/dbraw/zinc/69/56/14/344695614.db2.gz BWEQNSLDTHGKRV-QWHCGFSZSA-N 1 0 207.317 1.637 10 30 BDEERO [NH2+]=C(NCc1ccncc1)c1ccncc1 ZINC000049051269 187293812 /nfs/dbraw/zinc/29/38/12/187293812.db2.gz VLBFWJSWEKJYFY-UHFFFAOYSA-N 1 0 212.256 1.382 10 30 BDEERO CNC(=[NH2+])Nc1cc(F)c(F)cc1F ZINC000061095310 344847389 /nfs/dbraw/zinc/84/73/89/344847389.db2.gz GQUQXIRDKGVKLJ-UHFFFAOYSA-N 1 0 203.167 1.270 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cnccc1C#N ZINC000135805777 344896933 /nfs/dbraw/zinc/89/69/33/344896933.db2.gz LJTAZLOPPWAERP-JTQLQIEISA-N 1 0 204.277 1.348 10 30 BDEERO CC#CCC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000155341596 187297010 /nfs/dbraw/zinc/29/70/10/187297010.db2.gz XIWGAFABURCEPE-CYBMUJFWSA-N 1 0 246.358 1.891 10 30 BDEERO C#C[C@]1(O)C[C@H](C)[NH2+]C[C@]1(C)CCC#N ZINC000004340203 187302666 /nfs/dbraw/zinc/30/26/66/187302666.db2.gz GLAUMXWUXMHJQQ-SRVKXCTJSA-N 1 0 206.289 1.043 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000082575266 345440211 /nfs/dbraw/zinc/44/02/11/345440211.db2.gz ZQGOQJPFPOLNCJ-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000082575507 345440900 /nfs/dbraw/zinc/44/09/00/345440900.db2.gz QWMWXDREWJBOQL-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000300383349 345808485 /nfs/dbraw/zinc/80/84/85/345808485.db2.gz OWOUPIUTUHXUJH-IRCOFANPSA-N 1 0 208.305 1.693 10 30 BDEERO N#CC1(c2ccccc2)CCN(CCC[NH3+])CC1 ZINC000033979206 345814742 /nfs/dbraw/zinc/81/47/42/345814742.db2.gz PIUWOLVMYQXKQI-UHFFFAOYSA-N 1 0 243.354 1.893 10 30 BDEERO C#CC[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000019875363 187314094 /nfs/dbraw/zinc/31/40/94/187314094.db2.gz ANMJFPYHZVBMKI-UHFFFAOYSA-N 1 0 205.257 1.514 10 30 BDEERO O=CC1(C[N@@H+]2CCCOCC2)CCCC1 ZINC000061934042 346177236 /nfs/dbraw/zinc/17/72/36/346177236.db2.gz PEGMIESOBJMKRS-UHFFFAOYSA-N 1 0 211.305 1.468 10 30 BDEERO C=CCC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000054400687 187317541 /nfs/dbraw/zinc/31/75/41/187317541.db2.gz SMKWLQKYJMIKLF-UHFFFAOYSA-N 1 0 223.301 1.303 10 30 BDEERO C#CCN1CCC([NH2+]C2CCN(CC)CC2)CC1 ZINC000038098174 187318188 /nfs/dbraw/zinc/31/81/88/187318188.db2.gz XHVYQFRLELOQHH-UHFFFAOYSA-N 1 0 249.402 1.158 10 30 BDEERO Cc1ccnc(N[C@H]2CC[C@H](C[NH3+])C2)c1C#N ZINC000382445584 346252547 /nfs/dbraw/zinc/25/25/47/346252547.db2.gz JEPUQEIQHGDOOT-QWRGUYRKSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cccc(NCC2=[NH+]CCN2)c1C#N ZINC000039109536 179143906 /nfs/dbraw/zinc/14/39/06/179143906.db2.gz WZPIQULRWCABHB-UHFFFAOYSA-N 1 0 214.272 1.280 10 30 BDEERO Cc1cccc([C@@H](C#N)NCC[NH+](C)C)c1 ZINC000019987653 179178718 /nfs/dbraw/zinc/17/87/18/179178718.db2.gz XNOSYSZBHZNFHL-CYBMUJFWSA-N 1 0 217.316 1.711 10 30 BDEERO Cc1cccc([C@@H](C[NH3+])N(CC#N)CC#N)c1 ZINC000042965755 179184449 /nfs/dbraw/zinc/18/44/49/179184449.db2.gz MBFWYBYYUILKDN-CYBMUJFWSA-N 1 0 228.299 1.344 10 30 BDEERO CC(C)CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263194341 535064086 /nfs/dbraw/zinc/06/40/86/535064086.db2.gz ZRIMNQICIXONGF-BQBZGAKWSA-N 1 0 205.252 1.200 10 30 BDEERO Cc1nc(NCCC2CC[NH2+]CC2)ccc1C#N ZINC000593233785 347873065 /nfs/dbraw/zinc/87/30/65/347873065.db2.gz VIKZSVDGODGRRC-UHFFFAOYSA-N 1 0 244.342 1.485 10 30 BDEERO Cn1cncc1CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000401789058 347878391 /nfs/dbraw/zinc/87/83/91/347878391.db2.gz VLWQHLQIIPPEBV-YPMHNXCESA-N 1 0 232.331 1.635 10 30 BDEERO CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC000594431126 348045686 /nfs/dbraw/zinc/04/56/86/348045686.db2.gz IEAUANNPYTTXBK-NEPJUHHUSA-N 1 0 239.363 1.948 10 30 BDEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594426493 348052141 /nfs/dbraw/zinc/05/21/41/348052141.db2.gz RUPPCVREHQDOQF-ONGXEEELSA-N 1 0 223.320 1.312 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445386 348055645 /nfs/dbraw/zinc/05/56/45/348055645.db2.gz DZPRMIBNRZZCCG-UTUOFQBUSA-N 1 0 237.347 1.702 10 30 BDEERO N#Cc1cnccc1NCC1([NH3+])CCCC1 ZINC000594692315 348099928 /nfs/dbraw/zinc/09/99/28/348099928.db2.gz YUWCISFLGCWMRN-UHFFFAOYSA-N 1 0 216.288 1.059 10 30 BDEERO Cc1ccnc(NCC2([NH3+])CCCC2)c1C#N ZINC000594694241 348101212 /nfs/dbraw/zinc/10/12/12/348101212.db2.gz HYWIKUYJWPJBPZ-UHFFFAOYSA-N 1 0 230.315 1.945 10 30 BDEERO CN1C[C@@H](C[NH2+]Cc2cc(C#N)cs2)CC1=O ZINC000594982777 348164728 /nfs/dbraw/zinc/16/47/28/348164728.db2.gz HBWRPOULMKSPNA-SNVBAGLBSA-N 1 0 249.339 1.188 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000595000685 348169579 /nfs/dbraw/zinc/16/95/79/348169579.db2.gz LCOZGPYRNJYESF-UHFFFAOYSA-N 1 0 216.284 1.419 10 30 BDEERO CC#CC[NH+]1CCC(c2nncn2CC)CC1 ZINC000119309009 348208455 /nfs/dbraw/zinc/20/84/55/348208455.db2.gz FTPRRENIPCBCQN-UHFFFAOYSA-N 1 0 232.331 1.501 10 30 BDEERO N#CC[C@@H]1CCC[N@@H+](CC2(O)CCC2)C1 ZINC000595615394 348289186 /nfs/dbraw/zinc/28/91/86/348289186.db2.gz QPZWWXKVJAKWRM-NSHDSACASA-N 1 0 208.305 1.527 10 30 BDEERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980416 348414941 /nfs/dbraw/zinc/41/49/41/348414941.db2.gz HXAIQXOWEKEWTD-JQWIXIFHSA-N 1 0 223.320 1.122 10 30 BDEERO C[NH2+]C[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000596031151 348426534 /nfs/dbraw/zinc/42/65/34/348426534.db2.gz AFUCVMOPUUYYNQ-ZETCQYMHSA-N 1 0 225.242 1.856 10 30 BDEERO C[NH2+]C[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000596031209 348426758 /nfs/dbraw/zinc/42/67/58/348426758.db2.gz CCBALTDYKDGTIA-JTQLQIEISA-N 1 0 240.310 1.548 10 30 BDEERO C[NH2+]C[C@H](C)Nc1cccc(F)c1C#N ZINC000596032148 348427176 /nfs/dbraw/zinc/42/71/76/348427176.db2.gz HMWMHRPMNPJQND-QMMMGPOBSA-N 1 0 207.252 1.717 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1ccc(F)cc1C#N ZINC000596032221 348427330 /nfs/dbraw/zinc/42/73/30/348427330.db2.gz JRLPMPJFXPFMOQ-MRVPVSSYSA-N 1 0 207.252 1.717 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000596033804 348428153 /nfs/dbraw/zinc/42/81/53/348428153.db2.gz WLEUAXZNNXOOMI-VIFPVBQESA-N 1 0 230.315 1.462 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597083206 348659519 /nfs/dbraw/zinc/65/95/19/348659519.db2.gz PTFMZFIRDCAHMG-ZDEQEGDKSA-N 1 0 220.316 1.836 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000054826034 348665345 /nfs/dbraw/zinc/66/53/45/348665345.db2.gz FCJIZKAWXZERGI-SDDRHHMPSA-N 1 0 208.305 1.695 10 30 BDEERO C[C@H](CC#N)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000308905254 349061912 /nfs/dbraw/zinc/06/19/12/349061912.db2.gz LGZBLSLVPVWDLU-GRYCIOLGSA-N 1 0 210.321 1.771 10 30 BDEERO C[C@H](CC#N)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000308905260 349061954 /nfs/dbraw/zinc/06/19/54/349061954.db2.gz LGZBLSLVPVWDLU-WOPDTQHZSA-N 1 0 210.321 1.771 10 30 BDEERO C#CC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161337491 349424507 /nfs/dbraw/zinc/42/45/07/349424507.db2.gz NVUHIDJFHLRTKL-NSHDSACASA-N 1 0 218.304 1.111 10 30 BDEERO Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1C#N ZINC000291955382 180003714 /nfs/dbraw/zinc/00/37/14/180003714.db2.gz NTZMPANZUALEHY-MFKMUULPSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1nccn1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049610091 180270021 /nfs/dbraw/zinc/27/00/21/180270021.db2.gz KNFNXSBTHRIUJH-UHFFFAOYSA-N 1 0 243.285 1.689 10 30 BDEERO C[C@@H]1CCCC[N@@H+]1C[C@@]1(C=O)CCOC1 ZINC000225190121 350353637 /nfs/dbraw/zinc/35/36/37/350353637.db2.gz KUIWMVCUKROLHU-VXGBXAGGSA-N 1 0 211.305 1.466 10 30 BDEERO Cc1nn(-c2ccc(C#N)cc2)c(C)c1C[NH3+] ZINC000037065008 180327292 /nfs/dbraw/zinc/32/72/92/180327292.db2.gz OSWOYJLRESYAMN-UHFFFAOYSA-N 1 0 226.283 1.820 10 30 BDEERO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC000111350184 180357707 /nfs/dbraw/zinc/35/77/07/180357707.db2.gz IJSBZEHSYOZKIM-NSHDSACASA-N 1 0 247.346 1.354 10 30 BDEERO Cc1nn(CC#N)c(C)c1C[NH2+]C(C)C ZINC000036868732 180385047 /nfs/dbraw/zinc/38/50/47/180385047.db2.gz KXERZOJVKPZPJA-UHFFFAOYSA-N 1 0 206.293 1.522 10 30 BDEERO N#Cc1cccc([C@@H]2CCC[N@H+]2CCO)c1 ZINC000616608459 350804612 /nfs/dbraw/zinc/80/46/12/350804612.db2.gz VYQFYRAJFJFMEX-ZDUSSCGKSA-N 1 0 216.284 1.687 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382464238 350830287 /nfs/dbraw/zinc/83/02/87/350830287.db2.gz YZZYBLCWRDQAFR-ZYHUDNBSSA-N 1 0 230.315 1.801 10 30 BDEERO N#Cc1cccc([C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000616619874 350928347 /nfs/dbraw/zinc/92/83/47/350928347.db2.gz BRENVGLDMQYRQO-CQSZACIVSA-N 1 0 230.311 1.730 10 30 BDEERO O=CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052179895 350960370 /nfs/dbraw/zinc/96/03/70/350960370.db2.gz HYFMOACJMMGLDB-UHFFFAOYSA-N 1 0 211.305 1.468 10 30 BDEERO C=C(CS)C[N@H+]1CCSC[C@H]1C ZINC000231631529 350990136 /nfs/dbraw/zinc/99/01/36/350990136.db2.gz OLQZUBYUMNRBDA-SECBINFHSA-N 1 0 203.376 1.910 10 30 BDEERO C[C@@H]1CC[N@@H+](C(C)(C)C=O)CCS1 ZINC000306832729 351145407 /nfs/dbraw/zinc/14/54/07/351145407.db2.gz ONTRLSKXFGNBTR-SECBINFHSA-N 1 0 201.335 1.791 10 30 BDEERO CNC(Nc1ccsc1Cl)=[NH+]N ZINC000306839738 351149252 /nfs/dbraw/zinc/14/92/52/351149252.db2.gz ZAPKDACPFSSZJS-UHFFFAOYSA-N 1 0 204.686 1.263 10 30 BDEERO C[N@@H+]1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653602 351194119 /nfs/dbraw/zinc/19/41/19/351194119.db2.gz YTFMELKPFCOSAQ-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000616637647 351134819 /nfs/dbraw/zinc/13/48/19/351134819.db2.gz PZJAEWRPXGTSIO-CQSZACIVSA-N 1 0 229.327 1.913 10 30 BDEERO N#Cc1cccc([C@H]2CC[N@H+](CCO)CCO2)c1 ZINC000616666162 351225639 /nfs/dbraw/zinc/22/56/39/351225639.db2.gz JXOPEDXEDCWGHI-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO C=C(Cl)CN1CC(C)(C)[NH2+]C[C@H]1C ZINC000168114081 351300177 /nfs/dbraw/zinc/30/01/77/351300177.db2.gz APEIFKOLOZPMNN-SECBINFHSA-N 1 0 202.729 1.811 10 30 BDEERO C=C(Br)CN[C@H]1CCC[NH2+]C1 ZINC000168232325 351348253 /nfs/dbraw/zinc/34/82/53/351348253.db2.gz DPLVCSMCWYNDNY-QMMMGPOBSA-N 1 0 219.126 1.237 10 30 BDEERO Clc1cccc(C#CCN2CC[NH2+]CC2)c1 ZINC000044568219 180589692 /nfs/dbraw/zinc/58/96/92/180589692.db2.gz YTTCYSIXETWEGZ-UHFFFAOYSA-N 1 0 234.730 1.597 10 30 BDEERO Cc1cc(C#N)nc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000231901400 351449110 /nfs/dbraw/zinc/44/91/10/351449110.db2.gz ZVHCBCBNLAVWDI-NSHDSACASA-N 1 0 245.330 1.045 10 30 BDEERO CCCN/C(=[NH+]/N)[C@H]1CCC(F)(F)C1 ZINC000300893079 363111150 /nfs/dbraw/zinc/11/11/50/363111150.db2.gz BNUKGUHNXZYPGV-ZETCQYMHSA-N 1 0 205.252 1.694 10 30 BDEERO C[C@@H](CCC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000411397812 191180843 /nfs/dbraw/zinc/18/08/43/191180843.db2.gz ZWUIYYZJDVSOQX-QWHCGFSZSA-N 1 0 221.348 1.849 10 30 BDEERO Cn1nccc1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000230779441 352362966 /nfs/dbraw/zinc/36/29/66/352362966.db2.gz OQOYJJHEBXXOCE-CMPLNLGQSA-N 1 0 218.304 1.244 10 30 BDEERO O=C(C[NH+]1CCCCC1)C1=CCCCO1 ZINC000307542699 352646104 /nfs/dbraw/zinc/64/61/04/352646104.db2.gz QLQIPTRPEHMNEV-UHFFFAOYSA-N 1 0 209.289 1.736 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000420216279 192177350 /nfs/dbraw/zinc/17/73/50/192177350.db2.gz MAPJZWFGPFJRCP-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])COC ZINC000638873465 353043882 /nfs/dbraw/zinc/04/38/82/353043882.db2.gz AFSBVIZNKBBBSK-SNVBAGLBSA-N 1 0 228.336 1.069 10 30 BDEERO C=CCCC(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638874667 353045393 /nfs/dbraw/zinc/04/53/93/353045393.db2.gz JKTGWJYXOITNLR-NSHDSACASA-N 1 0 224.348 1.705 10 30 BDEERO C=C(C)CN(CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000019441972 188002468 /nfs/dbraw/zinc/00/24/68/188002468.db2.gz BGVCBLNSOQYZJM-NSHDSACASA-N 1 0 210.321 1.411 10 30 BDEERO C#CC(C)(C)NC(=[NH2+])NCc1ccccc1 ZINC000307729973 353116868 /nfs/dbraw/zinc/11/68/68/353116868.db2.gz GJLRNUGRRKWMIH-UHFFFAOYSA-N 1 0 215.300 1.712 10 30 BDEERO C=C(Br)CN1CCCC[C@H]1C[NH3+] ZINC000044559275 188043748 /nfs/dbraw/zinc/04/37/48/188043748.db2.gz NPTWZZLRHBKLPL-VIFPVBQESA-N 1 0 233.153 1.708 10 30 BDEERO C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359630 188045547 /nfs/dbraw/zinc/04/55/47/188045547.db2.gz DSFYIFYJLGIMCV-WDEREUQCSA-N 1 0 214.740 1.955 10 30 BDEERO N#Cc1cccc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383464904 353158424 /nfs/dbraw/zinc/15/84/24/353158424.db2.gz KQAWAMKRQYIMEY-MRVPVSSYSA-N 1 0 226.230 1.348 10 30 BDEERO C#CCn1c(C)[nH+]c(CC(C)(C)C)c1N ZINC000105064869 188051488 /nfs/dbraw/zinc/05/14/88/188051488.db2.gz NNKMCYBICOMZQF-UHFFFAOYSA-N 1 0 205.305 1.996 10 30 BDEERO C=CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000130793933 353366015 /nfs/dbraw/zinc/36/60/15/353366015.db2.gz XAHJZSIZHHAOSD-MNOVXSKESA-N 1 0 225.336 1.200 10 30 BDEERO CC#CCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190741273 353411828 /nfs/dbraw/zinc/41/18/28/353411828.db2.gz YIYLQZQTRGUDKY-CQSZACIVSA-N 1 0 247.342 1.690 10 30 BDEERO C[C@@]1(CNc2ccncc2C#N)CCC[NH2+]C1 ZINC000399010014 353589053 /nfs/dbraw/zinc/58/90/53/353589053.db2.gz WYTHUVBKGVPMOT-CYBMUJFWSA-N 1 0 230.315 1.177 10 30 BDEERO C#C[C@H]([NH2+]Cc1c(C)nn(C)c1OC)C(C)(C)C ZINC000290225299 353651890 /nfs/dbraw/zinc/65/18/90/353651890.db2.gz SFYARXXLUOLQDR-LBPRGKRZSA-N 1 0 249.358 1.875 10 30 BDEERO COC(=O)[C@H]1C(=O)C=C(NC(C)C)CC1(C)C ZINC000606303511 353858854 /nfs/dbraw/zinc/85/88/54/353858854.db2.gz OVNKQMZSJRKECS-LLVKDONJSA-N 1 0 239.315 1.657 10 30 BDEERO N#CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000042251542 181035821 /nfs/dbraw/zinc/03/58/21/181035821.db2.gz OGWGFOMLYYEJRU-NWDGAFQWSA-N 1 0 208.305 1.934 10 30 BDEERO N#CCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000042251532 181035864 /nfs/dbraw/zinc/03/58/64/181035864.db2.gz OGWGFOMLYYEJRU-VXGBXAGGSA-N 1 0 208.305 1.934 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NCC[NH+]1CCCC1 ZINC000054830117 181059927 /nfs/dbraw/zinc/05/99/27/181059927.db2.gz KQLANDPECXKDKU-RYUDHWBXSA-N 1 0 207.321 1.364 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000054828286 181060220 /nfs/dbraw/zinc/06/02/20/181060220.db2.gz AAHAFJFZOZQVNT-STQMWFEESA-N 1 0 232.331 1.945 10 30 BDEERO N#Cc1cc(C(F)(F)F)cc(CC[NH3+])n1 ZINC000095767648 181084802 /nfs/dbraw/zinc/08/48/02/181084802.db2.gz SCLAAMNUCPROOC-UHFFFAOYSA-N 1 0 215.178 1.473 10 30 BDEERO N#Cc1cc(N)cnc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000037758902 181090228 /nfs/dbraw/zinc/09/02/28/181090228.db2.gz CJZDCTATQHYOOT-GFCCVEGCSA-N 1 0 243.314 1.042 10 30 BDEERO N#Cc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000044509196 181120551 /nfs/dbraw/zinc/12/05/51/181120551.db2.gz KQLKINFULRXPDC-UHFFFAOYSA-N 1 0 215.300 1.970 10 30 BDEERO N#Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(N)c1 ZINC000035674398 181126329 /nfs/dbraw/zinc/12/63/29/181126329.db2.gz QCAFTZSYQXJRLS-AWEZNQCLSA-N 1 0 242.326 1.647 10 30 BDEERO N#Cc1ccc(N[C@H]2C[C@H]2[NH3+])cc1Cl ZINC000061846838 181126662 /nfs/dbraw/zinc/12/66/62/181126662.db2.gz SIUJPXXFAFAVGM-ZJUUUORDSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccccc1CN1CCC[C@H](C=O)C1 ZINC000054219114 181145094 /nfs/dbraw/zinc/14/50/94/181145094.db2.gz TVLWFTRZOIMCJR-LBPRGKRZSA-N 1 0 228.295 1.969 10 30 BDEERO N#Cc1ccccc1N1CCC[C@@H]1C[NH3+] ZINC000082638980 181147485 /nfs/dbraw/zinc/14/74/85/181147485.db2.gz QPYUUEAXMRAEGK-LLVKDONJSA-N 1 0 201.273 1.486 10 30 BDEERO N#Cc1ccccc1OC[C@H]1CCC[NH2+]1 ZINC000051865910 181150232 /nfs/dbraw/zinc/15/02/32/181150232.db2.gz MATREPYERFPXPQ-LLVKDONJSA-N 1 0 202.257 1.689 10 30 BDEERO N#Cc1cccnc1[S@@](=O)CC1CC[NH2+]CC1 ZINC000095073704 181154629 /nfs/dbraw/zinc/15/46/29/181154629.db2.gz SJSQLCAPEASVSL-QGZVFWFLSA-N 1 0 249.339 1.060 10 30 BDEERO N#Cc1ccnc(SC[C@H]2CC[NH2+]C2)c1 ZINC000095072098 181158189 /nfs/dbraw/zinc/15/81/89/181158189.db2.gz RCUJSQQQJRWRLK-JTQLQIEISA-N 1 0 219.313 1.655 10 30 BDEERO N#Cc1ccnc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000043220297 181158494 /nfs/dbraw/zinc/15/84/94/181158494.db2.gz UWLVDAJKSUMOEW-NSHDSACASA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ncccc1C[NH2+]C1CCOCC1 ZINC000061657539 181170245 /nfs/dbraw/zinc/17/02/45/181170245.db2.gz ABOVFRGEZPUQEZ-UHFFFAOYSA-N 1 0 217.272 1.222 10 30 BDEERO N#Cc1ncccc1COC[C@H]1CC[NH2+]C1 ZINC000061659450 181170925 /nfs/dbraw/zinc/17/09/25/181170925.db2.gz IAGMLTPJSROEJO-JTQLQIEISA-N 1 0 217.272 1.079 10 30 BDEERO N#Cc1nccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000054378571 181175388 /nfs/dbraw/zinc/17/53/88/181175388.db2.gz UBMIKYBWGNPBAY-BDAKNGLRSA-N 1 0 217.276 1.030 10 30 BDEERO [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCCC1 ZINC000253561350 181182140 /nfs/dbraw/zinc/18/21/40/181182140.db2.gz CAIRBHNHRCMZMM-UHFFFAOYSA-N 1 0 235.247 1.032 10 30 BDEERO C=CCOCCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000336723012 358496129 /nfs/dbraw/zinc/49/61/29/358496129.db2.gz YPGYHWYYPBQVCR-ZIAGYGMSSA-N 1 0 238.375 1.748 10 30 BDEERO NC(=[NH2+])NN=C1CCCc2ccccc21 ZINC000006672972 181188169 /nfs/dbraw/zinc/18/81/69/181188169.db2.gz CNZLDSHPYQPXMZ-GXDHUFHOSA-N 1 0 202.261 1.210 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[NH2+]C[C@H]1CC ZINC000168392470 355768257 /nfs/dbraw/zinc/76/82/57/355768257.db2.gz IEZTYRJONJUCSA-NXEZZACHSA-N 1 0 247.180 1.967 10 30 BDEERO CNC(=[NH+]N)[C@@H]1CCCc2sccc21 ZINC000168467214 355840757 /nfs/dbraw/zinc/84/07/57/355840757.db2.gz HHFRFFQPOPBVNR-MRVPVSSYSA-N 1 0 209.318 1.660 10 30 BDEERO N#Cc1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000578122698 366279953 /nfs/dbraw/zinc/27/99/53/366279953.db2.gz FZHCTZBGNDSKGA-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)cn1 ZINC000122665828 363489106 /nfs/dbraw/zinc/48/91/06/363489106.db2.gz NINQJQGEXJVMEB-LLVKDONJSA-N 1 0 216.288 1.507 10 30 BDEERO CC#CCC[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000161231002 363502123 /nfs/dbraw/zinc/50/21/23/363502123.db2.gz KOXNECRIFWETLL-NXEZZACHSA-N 1 0 215.387 1.966 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCC[C@@H]1O ZINC000168283879 356714309 /nfs/dbraw/zinc/71/43/09/356714309.db2.gz QFJHCSKEWJNBPS-YUMQZZPRSA-N 1 0 220.110 1.398 10 30 BDEERO N#Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089091449 356930379 /nfs/dbraw/zinc/93/03/79/356930379.db2.gz OIBLQMHDPJPKMF-STQMWFEESA-N 1 0 243.310 1.415 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188848264 357592431 /nfs/dbraw/zinc/59/24/31/357592431.db2.gz BMQGOHSZRZMGGZ-CMPLNLGQSA-N 1 0 232.258 1.306 10 30 BDEERO NC(=O)c1ccc(CN2CCCC[C@H]2C=O)cc1 ZINC000054237983 181294870 /nfs/dbraw/zinc/29/48/70/181294870.db2.gz VRSIIUOPOVHZRU-ZDUSSCGKSA-N 1 0 246.310 1.339 10 30 BDEERO C=CC[N@H+]1C[C@@H]2C[C@H](C1)c1cc(N)c(N)cc12 ZINC000584615860 358280255 /nfs/dbraw/zinc/28/02/55/358280255.db2.gz NLUXVPLHCLDSHS-AOOOYVTPSA-N 1 0 229.327 1.924 10 30 BDEERO C[NH+](C)CC/N=C/c1ccc2c(c1)CCO2 ZINC000584661464 358312606 /nfs/dbraw/zinc/31/26/06/358312606.db2.gz BYYOVLWBWBAYJC-GXDHUFHOSA-N 1 0 218.300 1.602 10 30 BDEERO C=CCC[C@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000125082858 358532967 /nfs/dbraw/zinc/53/29/67/358532967.db2.gz YNPVEHKWJPTPBT-ZDUSSCGKSA-N 1 0 249.358 1.916 10 30 BDEERO CN1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135176754 358823032 /nfs/dbraw/zinc/82/30/32/358823032.db2.gz VSVJHQRJYFHIMN-GFCCVEGCSA-N 1 0 239.363 1.237 10 30 BDEERO C=CC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000136064571 358862181 /nfs/dbraw/zinc/86/21/81/358862181.db2.gz VBWBHOMNBOYLGQ-AWEZNQCLSA-N 1 0 237.391 1.274 10 30 BDEERO N#Cc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000069637441 359687672 /nfs/dbraw/zinc/68/76/72/359687672.db2.gz KODTZBMIYYIIOM-LBPRGKRZSA-N 1 0 202.257 1.609 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000306466353 360079402 /nfs/dbraw/zinc/07/94/02/360079402.db2.gz PJXDAHWTKGNCDG-YUMQZZPRSA-N 1 0 219.126 1.317 10 30 BDEERO CC(C)(C)C#CCC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000300751554 360454701 /nfs/dbraw/zinc/45/47/01/360454701.db2.gz LGYKNGDFMXRNHS-GHMZBOCLSA-N 1 0 205.301 1.899 10 30 BDEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)COC ZINC000309621378 491153567 /nfs/dbraw/zinc/15/35/67/491153567.db2.gz FINMBABVYIIJAC-LLVKDONJSA-N 1 0 228.336 1.036 10 30 BDEERO NC(=[NH2+])N=NC=C(Cl)Cc1ccccc1 ZINC000006227340 181323469 /nfs/dbraw/zinc/32/34/69/181323469.db2.gz UDQVIFGFZOORCE-WLZNRRLWSA-N 1 0 222.679 1.526 10 30 BDEERO [NH3+]CC#Cc1ccc(OCCn2ccnc2)cc1 ZINC000049610068 181346116 /nfs/dbraw/zinc/34/61/16/181346116.db2.gz USIMUCGYZQDQOA-UHFFFAOYSA-N 1 0 241.294 1.272 10 30 BDEERO [NH3+]CC#Cc1ccc(N2CCCC2=O)c(F)c1 ZINC000037556804 181346313 /nfs/dbraw/zinc/34/63/13/181346313.db2.gz DZLAKEJTTJUQKL-UHFFFAOYSA-N 1 0 232.258 1.263 10 30 BDEERO [NH3+]CC#Cc1ccc(OC[C@H]2CCOC2)cc1 ZINC000049689765 181346471 /nfs/dbraw/zinc/34/64/71/181346471.db2.gz RNZWFWOSJQSKMJ-ZDUSSCGKSA-N 1 0 231.295 1.412 10 30 BDEERO [NH3+]CC#Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000037547941 181346566 /nfs/dbraw/zinc/34/65/66/181346566.db2.gz LHUSWVCHRHOMAP-AWEZNQCLSA-N 1 0 231.295 1.555 10 30 BDEERO [NH3+]CC#Cc1ccccc1NC(=O)c1ccco1 ZINC000037550859 181347606 /nfs/dbraw/zinc/34/76/06/181347606.db2.gz OKFZJCGZCNWGFD-UHFFFAOYSA-N 1 0 240.262 1.842 10 30 BDEERO CCN(CC[NH3+])c1nc2c(cc1C#N)CCCC2 ZINC000122835286 363886415 /nfs/dbraw/zinc/88/64/15/363886415.db2.gz IWIXPUQDVRINJV-UHFFFAOYSA-N 1 0 244.342 1.617 10 30 BDEERO NC(=[NH2+])NN=Cc1sc(Cl)nc1Cl ZINC000252664786 364756155 /nfs/dbraw/zinc/75/61/55/364756155.db2.gz NVCQAPUPYDMGSX-UHFFFAOYSA-N 1 0 238.103 1.267 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000382593972 367546382 /nfs/dbraw/zinc/54/63/82/367546382.db2.gz IYZOUDVCVWXHJE-WDEREUQCSA-N 1 0 208.305 1.292 10 30 BDEERO C=C(C)CC[NH2+]C[C@@H](O)COCCCC ZINC000386695279 368011011 /nfs/dbraw/zinc/01/10/11/368011011.db2.gz LJEFBRKRTAEEEO-GFCCVEGCSA-N 1 0 215.337 1.720 10 30 BDEERO C=C(C)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000387299855 368144287 /nfs/dbraw/zinc/14/42/87/368144287.db2.gz AJRQQQJGAAHWLK-GFCCVEGCSA-N 1 0 239.315 1.713 10 30 BDEERO O=C[C@@H]1CCCN(Cc2cscn2)C1 ZINC000054219281 368948503 /nfs/dbraw/zinc/94/85/03/368948503.db2.gz OYXWMLNHCRKVDM-SECBINFHSA-N 1 0 210.302 1.554 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000106881590 369214297 /nfs/dbraw/zinc/21/42/97/369214297.db2.gz KEYHVNSBRDPOMN-UHFFFAOYSA-N 1 0 203.289 1.732 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405364191 369457477 /nfs/dbraw/zinc/45/74/77/369457477.db2.gz HPKQCVYFIVQFBB-RYUDHWBXSA-N 1 0 235.331 1.281 10 30 BDEERO Cc1nnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(C#N)c1C ZINC000600956041 369576106 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369580424 /nfs/dbraw/zinc/58/04/24/369580424.db2.gz XCCBGYSMUCYMRJ-SCZZXKLOSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000600963477 369581344 /nfs/dbraw/zinc/58/13/44/369581344.db2.gz VOEVOACFRIVSPZ-APPZFPTMSA-N 1 0 237.253 1.762 10 30 BDEERO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251245641 369745982 /nfs/dbraw/zinc/74/59/82/369745982.db2.gz JJCMZRDKYPCPDO-TUAOUCFPSA-N 1 0 210.321 1.819 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000251422684 369799081 /nfs/dbraw/zinc/79/90/81/369799081.db2.gz SLMOXSIHLSMYJW-SDDRHHMPSA-N 1 0 224.304 1.074 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@H]1[NH3+] ZINC000251606904 369867480 /nfs/dbraw/zinc/86/74/80/369867480.db2.gz DJLQWUZHCZLPPD-VXGBXAGGSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251830837 369974361 /nfs/dbraw/zinc/97/43/61/369974361.db2.gz PMYRAOFKQXBYHO-OLZOCXBDSA-N 1 0 233.359 1.849 10 30 BDEERO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309558338 370229527 /nfs/dbraw/zinc/22/95/27/370229527.db2.gz INPGXZHSFXCTIJ-WOPDTQHZSA-N 1 0 221.304 1.323 10 30 BDEERO CC[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(C)n2)C1 ZINC000389291636 371128080 /nfs/dbraw/zinc/12/80/80/371128080.db2.gz XTHZKTSLVUGFPD-GFCCVEGCSA-N 1 0 230.315 1.190 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1cnccn1 ZINC000389915269 371181537 /nfs/dbraw/zinc/18/15/37/371181537.db2.gz CRXPMOLCNBVMHW-CMPLNLGQSA-N 1 0 216.288 1.301 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131168454 371307616 /nfs/dbraw/zinc/30/76/16/371307616.db2.gz DEACEBKBKFAZGB-QWRGUYRKSA-N 1 0 208.305 1.573 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131168658 371309916 /nfs/dbraw/zinc/30/99/16/371309916.db2.gz DEACEBKBKFAZGB-WDEREUQCSA-N 1 0 208.305 1.573 10 30 BDEERO C=CCN1C(=[NH2+])NC[C@@H]1c1nccs1 ZINC000161833225 371569290 /nfs/dbraw/zinc/56/92/90/371569290.db2.gz LPFXOGLRDQUJJL-SSDOTTSWSA-N 1 0 208.290 1.001 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1ncccc1C#N ZINC000131230850 371572513 /nfs/dbraw/zinc/57/25/13/371572513.db2.gz UKOJAXUXFUNVGN-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000162332335 371660610 /nfs/dbraw/zinc/66/06/10/371660610.db2.gz MDRJGXKPWOGKGB-RYUDHWBXSA-N 1 0 238.331 1.200 10 30 BDEERO C[N@@H+]1CCC[C@H]2C[NH+](CCS)CC[C@H]21 ZINC000227354109 371842144 /nfs/dbraw/zinc/84/21/44/371842144.db2.gz URRKIBZWJKBKQV-WDEREUQCSA-N 1 0 214.378 1.332 10 30 BDEERO C#CC[NH2+][C@@H](CC)CNC(=O)OC(C)(C)C ZINC000227727040 371926933 /nfs/dbraw/zinc/92/69/33/371926933.db2.gz DEVBOUDVESDNND-JTQLQIEISA-N 1 0 226.320 1.513 10 30 BDEERO NC(=[NH2+])NN=Cc1sccc1Br ZINC000228023523 371978906 /nfs/dbraw/zinc/97/89/06/371978906.db2.gz ZUWNMYHEUQZOMU-XCVCLJGOSA-N 1 0 247.121 1.328 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1SCCS[C@@H]1C ZINC000228122244 371994045 /nfs/dbraw/zinc/99/40/45/371994045.db2.gz XMLGBHVHIZCTMR-HRDYMLBCSA-N 1 0 201.360 1.445 10 30 BDEERO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000228360987 372020093 /nfs/dbraw/zinc/02/00/93/372020093.db2.gz HHTCDWUGNMISNC-NWDGAFQWSA-N 1 0 237.347 1.573 10 30 BDEERO C#C[C@H](NC)c1coc(Br)c1 ZINC000306534417 372032347 /nfs/dbraw/zinc/03/23/47/372032347.db2.gz IVBOBAREQYUJSJ-ZETCQYMHSA-N 1 0 214.062 1.936 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1SCCS[C@H]1CC ZINC000228290073 372012031 /nfs/dbraw/zinc/01/20/31/372012031.db2.gz IRKNBIHTZIAIBL-CIUDSAMLSA-N 1 0 201.360 1.574 10 30 BDEERO C#CC[C@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218869022 372161634 /nfs/dbraw/zinc/16/16/34/372161634.db2.gz DLGBOVZGBWXYTA-MNOVXSKESA-N 1 0 238.331 1.594 10 30 BDEERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C#N)c1 ZINC000229585347 372170337 /nfs/dbraw/zinc/17/03/37/372170337.db2.gz OKFCVPURKCBEDR-ZWNOBZJWSA-N 1 0 243.310 1.429 10 30 BDEERO C=C(Br)CN(C)[C@@H]1CC[NH2+]C1 ZINC000070895882 374225797 /nfs/dbraw/zinc/22/57/97/374225797.db2.gz JXNZXRGSTKASIR-MRVPVSSYSA-N 1 0 219.126 1.189 10 30 BDEERO CNC(N[C@@H](C)COCc1ccccc1)=[NH+]C ZINC000179054747 134314746 /nfs/dbraw/zinc/31/47/46/134314746.db2.gz PXFBZWFCNJWXQL-NSHDSACASA-N 1 0 235.331 1.387 10 30 BDEERO CCC[NH+]1CCC(C#N)(NC(C)C)CC1 ZINC000036924717 169186634 /nfs/dbraw/zinc/18/66/34/169186634.db2.gz LXXYRLFTVZTIJO-UHFFFAOYSA-N 1 0 209.337 1.753 10 30 BDEERO CCC[N@@H+]1CCCN(c2cccc(C#N)n2)CC1 ZINC000301404261 169192414 /nfs/dbraw/zinc/19/24/14/169192414.db2.gz SLQHHJYSLIQNIE-UHFFFAOYSA-N 1 0 244.342 1.875 10 30 BDEERO CCCN[C@H](C#N)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000062368911 169284000 /nfs/dbraw/zinc/28/40/00/169284000.db2.gz ZAVDUUQOYDYXSW-XQQFMLRXSA-N 1 0 239.363 1.377 10 30 BDEERO CCC[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037570095 169369236 /nfs/dbraw/zinc/36/92/36/169369236.db2.gz OFOYPKYKWHXFID-GFCCVEGCSA-N 1 0 244.338 1.915 10 30 BDEERO CCC[C@@H]([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000038101683 169387289 /nfs/dbraw/zinc/38/72/89/169387289.db2.gz DITCRSOJVGCMGO-CYBMUJFWSA-N 1 0 245.326 1.666 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC#N ZINC000083550824 384312082 /nfs/dbraw/zinc/31/20/82/384312082.db2.gz SRLFBVYPASDXCY-NWDGAFQWSA-N 1 0 207.321 1.459 10 30 BDEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC#N ZINC000083704476 384321292 /nfs/dbraw/zinc/32/12/92/384321292.db2.gz FODDZYWBQSPBRU-NWDGAFQWSA-N 1 0 207.321 1.459 10 30 BDEERO N#Cc1ccc(Cl)cc1NC1C[NH2+]C1 ZINC000084417136 384699002 /nfs/dbraw/zinc/69/90/02/384699002.db2.gz XCQSVHKKPOVOIS-UHFFFAOYSA-N 1 0 207.664 1.595 10 30 BDEERO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000101564503 384797025 /nfs/dbraw/zinc/79/70/25/384797025.db2.gz VFFXVDHNCWARLH-GFCCVEGCSA-N 1 0 224.348 1.943 10 30 BDEERO C=CCN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000105838216 384806946 /nfs/dbraw/zinc/80/69/46/384806946.db2.gz AIGIQIKQEGUVRE-ZDUSSCGKSA-N 1 0 226.364 1.605 10 30 BDEERO C#CCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186894121 134443754 /nfs/dbraw/zinc/44/37/54/134443754.db2.gz DMYAXOPGLFCOBV-YNEHKIRRSA-N 1 0 234.343 1.376 10 30 BDEERO C=C[C@@H]1C[C@@]1(N)C(=O)OCc1ccccc1 ZINC000238626450 385259390 /nfs/dbraw/zinc/25/93/90/385259390.db2.gz GOGCSJNDXFSKJK-YPMHNXCESA-N 1 0 217.268 1.633 10 30 BDEERO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])cc(C#N)n1 ZINC000308235622 385409789 /nfs/dbraw/zinc/40/97/89/385409789.db2.gz AOWYJLOXWJXSSX-IUCAKERBSA-N 1 0 204.277 1.409 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cccnc1C#N ZINC000309410618 385574112 /nfs/dbraw/zinc/57/41/12/385574112.db2.gz FYFZBZDKVFAIGJ-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO Cc1nnc(CN2CCC(C)(C#N)CC2)n1C ZINC000408158170 385576714 /nfs/dbraw/zinc/57/67/14/385576714.db2.gz JFPAPKUPIWXHIE-UHFFFAOYSA-N 1 0 233.319 1.249 10 30 BDEERO C#CC[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105884901 533154262 /nfs/dbraw/zinc/15/42/62/533154262.db2.gz OIQJISUJLBVSKP-ZDUSSCGKSA-N 1 0 232.331 1.240 10 30 BDEERO N#Cc1cnccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000399054565 386657768 /nfs/dbraw/zinc/65/77/68/386657768.db2.gz WUGYGFYEXOLOSO-CYZMBNFOSA-N 1 0 242.326 1.517 10 30 BDEERO CC#CC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000160106070 387071471 /nfs/dbraw/zinc/07/14/71/387071471.db2.gz VLQRPAYIESBCPB-GFCCVEGCSA-N 1 0 232.331 1.501 10 30 BDEERO C#CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575595709 387333839 /nfs/dbraw/zinc/33/38/39/387333839.db2.gz UHIOMDHOFVKLAC-HNNXBMFYSA-N 1 0 242.322 1.400 10 30 BDEERO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c(C#N)cn1 ZINC000399486160 387709827 /nfs/dbraw/zinc/70/98/27/387709827.db2.gz YZTBKZZXSJWAND-ZDUSSCGKSA-N 1 0 242.326 1.546 10 30 BDEERO C=CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643479547 387850189 /nfs/dbraw/zinc/85/01/89/387850189.db2.gz QKADATJGFDITRZ-RYUDHWBXSA-N 1 0 212.337 1.167 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331838 387922764 /nfs/dbraw/zinc/92/27/64/387922764.db2.gz JECPGZDRMSEGGU-CYBMUJFWSA-N 1 0 217.316 1.679 10 30 BDEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCC#N ZINC000083704422 388058902 /nfs/dbraw/zinc/05/89/02/388058902.db2.gz CSBPTVZYGVHUKS-QWHCGFSZSA-N 1 0 221.348 1.849 10 30 BDEERO C#CC(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000575525007 388359898 /nfs/dbraw/zinc/35/98/98/388359898.db2.gz WAPBCFRRVFQUCY-UHFFFAOYSA-N 1 0 242.322 1.182 10 30 BDEERO C[C@H]1C[NH+](CCCSCC#N)C[C@H](C)O1 ZINC000080631104 388560700 /nfs/dbraw/zinc/56/07/00/388560700.db2.gz SSAFNWXTZYIKAF-QWRGUYRKSA-N 1 0 228.361 1.742 10 30 BDEERO N#Cc1ncccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250072705 388586014 /nfs/dbraw/zinc/58/60/14/388586014.db2.gz HSZOBFIRVXOHPO-NSHDSACASA-N 1 0 228.299 1.238 10 30 BDEERO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)cc(C#N)n1 ZINC000308236250 388658357 /nfs/dbraw/zinc/65/83/57/388658357.db2.gz BPRAARLIUILAHM-MNOVXSKESA-N 1 0 230.315 1.435 10 30 BDEERO C[C@@H]1CSC(NCC2CSC2)=[NH+]1 ZINC000575487374 388876631 /nfs/dbraw/zinc/87/66/31/388876631.db2.gz LPMVWGAKWHMRPK-ZCFIWIBFSA-N 1 0 202.348 1.430 10 30 BDEERO C[NH+]1CCN(c2ccc(CC#N)cc2)CC1 ZINC000082713134 132310496 /nfs/dbraw/zinc/31/04/96/132310496.db2.gz VVZVGABTWQLNGZ-UHFFFAOYSA-N 1 0 215.300 1.504 10 30 BDEERO N#Cc1cccnc1N1CCC[C@H](C[NH3+])C1 ZINC000044532068 132354484 /nfs/dbraw/zinc/35/44/84/132354484.db2.gz PRABZYOVZKULKP-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO C#CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128514132 133647299 /nfs/dbraw/zinc/64/72/99/133647299.db2.gz VTAPDFPNLAXOEU-NEPJUHHUSA-N 1 0 203.289 1.590 10 30 BDEERO CNC(=[NH2+])N[C@H](C)COCc1ccccc1 ZINC000179059042 134314547 /nfs/dbraw/zinc/31/45/47/134314547.db2.gz IEQMXSDWGXQIRR-SNVBAGLBSA-N 1 0 221.304 1.126 10 30 BDEERO C[C@H](C#N)N1CCC([NH+]2CCCC2)CC1 ZINC000181558828 134337603 /nfs/dbraw/zinc/33/76/03/134337603.db2.gz QCJLUJYZZCAOFL-LLVKDONJSA-N 1 0 207.321 1.459 10 30 BDEERO C[C@H](C#N)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182225974 134343414 /nfs/dbraw/zinc/34/34/14/134343414.db2.gz VWFFZQWZGSAKTG-YRGRVCCFSA-N 1 0 233.359 1.847 10 30 BDEERO C[C@H](C#N)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227711025 134384535 /nfs/dbraw/zinc/38/45/35/134384535.db2.gz RFKVDGSQQIZBDZ-GRYCIOLGSA-N 1 0 235.331 1.231 10 30 BDEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336742253 134921662 /nfs/dbraw/zinc/92/16/62/134921662.db2.gz OBOSHHDIWDGLPJ-GHMZBOCLSA-N 1 0 224.348 1.988 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336754549 134934099 /nfs/dbraw/zinc/93/40/99/134934099.db2.gz IHHNXDKMKAFHGP-QCNOEVLYSA-N 1 0 208.305 1.836 10 30 BDEERO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C2CC2)O1 ZINC000252739516 135105665 /nfs/dbraw/zinc/10/56/65/135105665.db2.gz HJOAEUIMRWWYJH-LPWJVIDDSA-N 1 0 220.316 1.978 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cc(C#N)ccn1 ZINC000087780111 135167895 /nfs/dbraw/zinc/16/78/95/135167895.db2.gz SYBROTWYDWHADJ-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO CC[NH+]=C(NCC(C)(C)OC)N[C@@H]1C[C@@H]1C ZINC000261998393 135271380 /nfs/dbraw/zinc/27/13/80/135271380.db2.gz SXHKFAZFJMMPQZ-VHSXEESVSA-N 1 0 227.352 1.375 10 30 BDEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262031760 135273585 /nfs/dbraw/zinc/27/35/85/135273585.db2.gz XMNUQJDEZFDTGA-QJPTWQEYSA-N 1 0 244.766 1.486 10 30 BDEERO CN(C)C(=[NH+]CCc1cccc(C#N)c1)N(C)C ZINC000262068045 135277077 /nfs/dbraw/zinc/27/70/77/135277077.db2.gz CMZWMXCBAGSVNW-UHFFFAOYSA-N 1 0 244.342 1.580 10 30 BDEERO C[NH+]=C(NCC1(C(F)F)CC1)NC1CC1 ZINC000262364083 135296682 /nfs/dbraw/zinc/29/66/82/135296682.db2.gz KVJIDEJBGKQZDK-UHFFFAOYSA-N 1 0 217.263 1.359 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](COC)C1 ZINC000262459186 135300056 /nfs/dbraw/zinc/30/00/56/135300056.db2.gz LXRKDAKCSJDRAU-GHMZBOCLSA-N 1 0 239.363 1.329 10 30 BDEERO Cc1cc(CCNC(=[NH2+])Nc2ccccn2)on1 ZINC000262476772 135301938 /nfs/dbraw/zinc/30/19/38/135301938.db2.gz CDJHJSHQQOUFRS-UHFFFAOYSA-N 1 0 245.286 1.347 10 30 BDEERO COC1CCC(C)(CNC(=[NH2+])NC(C)C)CC1 ZINC000262488127 135302296 /nfs/dbraw/zinc/30/22/96/135302296.db2.gz TYFSQYXIHCAUMI-UHFFFAOYSA-N 1 0 241.379 1.894 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262501079 135303348 /nfs/dbraw/zinc/30/33/48/135303348.db2.gz KPVUVJQMMNEQNO-BFHYXJOUSA-N 1 0 241.338 1.805 10 30 BDEERO Cc1cnn(CCNC(=[NH2+])N2CCC[C@@H](C)C2)c1 ZINC000262546143 135305219 /nfs/dbraw/zinc/30/52/19/135305219.db2.gz VFYBUYXNLUWFNO-LLVKDONJSA-N 1 0 249.362 1.238 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC[C@H](C)C1 ZINC000262570768 135306300 /nfs/dbraw/zinc/30/63/00/135306300.db2.gz MYDPHZOLDKYDLT-GARJFASQSA-N 1 0 209.337 1.702 10 30 BDEERO CC[NH+]=C(NCC(C)C)N[C@H]1CC1(C)C ZINC000262599568 135308163 /nfs/dbraw/zinc/30/81/63/135308163.db2.gz YCKDMAHQMYJCAS-JTQLQIEISA-N 1 0 211.353 1.996 10 30 BDEERO C[C@@H]1C[NH+]=C(NCc2cc(C#N)ccc2F)N1 ZINC000262665698 135312107 /nfs/dbraw/zinc/31/21/07/135312107.db2.gz ONHSLFFYLSPIDC-MRVPVSSYSA-N 1 0 232.262 1.135 10 30 BDEERO CN1CC[NH+]=C1NCC1(C(F)(F)F)CCC1 ZINC000262667653 135312527 /nfs/dbraw/zinc/31/25/27/135312527.db2.gz PNWAGEBPDAWZND-UHFFFAOYSA-N 1 0 235.253 1.610 10 30 BDEERO C[NH+]=C(NCc1c[nH]nc1C)NCC1CCC1 ZINC000263009011 135326348 /nfs/dbraw/zinc/32/63/48/135326348.db2.gz YKYMPERWUPPBDB-UHFFFAOYSA-N 1 0 235.335 1.183 10 30 BDEERO C[C@H](CNC(=[NH2+])N1CCC1)C(F)(F)F ZINC000263144490 135335342 /nfs/dbraw/zinc/33/53/42/135335342.db2.gz OPBMJNSMEBCGOP-ZCFIWIBFSA-N 1 0 209.215 1.205 10 30 BDEERO C[C@H]1CC(CNC(=[NH2+])NC2CCC2)C[C@H](C)O1 ZINC000263208714 135339239 /nfs/dbraw/zinc/33/92/39/135339239.db2.gz YRMWNIFHXWOHRU-UWVGGRQHSA-N 1 0 239.363 1.647 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)NC1CCCCC1 ZINC000263232849 135341273 /nfs/dbraw/zinc/34/12/73/135341273.db2.gz IODBFFFFLXGIML-GXSJLCMTSA-N 1 0 209.337 1.893 10 30 BDEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)N1CCOCC1 ZINC000263242751 135342081 /nfs/dbraw/zinc/34/20/81/135342081.db2.gz GWHTYDCMXMMJFM-LLVKDONJSA-N 1 0 237.347 1.356 10 30 BDEERO CCOC(=O)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000081546125 135387182 /nfs/dbraw/zinc/38/71/82/135387182.db2.gz LPJRRPHEEFNGQG-GHMZBOCLSA-N 1 0 224.304 1.612 10 30 BDEERO C=C(C)COCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000164646810 135432363 /nfs/dbraw/zinc/43/23/63/135432363.db2.gz BEUJZDAYWFRAON-UPJWGTAASA-N 1 0 239.359 1.982 10 30 BDEERO Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000401851076 397984747 /nfs/dbraw/zinc/98/47/47/397984747.db2.gz SQHUGXPVDCVQBT-ZYHUDNBSSA-N 1 0 218.304 1.244 10 30 BDEERO CC(C)N[C@H](C#N)CN1CCC(C)(C)CC1 ZINC000061821689 167136564 /nfs/dbraw/zinc/13/65/64/167136564.db2.gz ZGGLKKXKDCILRS-GFCCVEGCSA-N 1 0 223.364 1.999 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]C1(C)CCCC1 ZINC000042187178 166183279 /nfs/dbraw/zinc/18/32/79/166183279.db2.gz KZPNMKXMNNZDLK-SNVBAGLBSA-N 1 0 208.305 1.047 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC000053498674 166188194 /nfs/dbraw/zinc/18/81/94/166188194.db2.gz NUYZGJLIYOMWFC-GFCCVEGCSA-N 1 0 234.318 1.869 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000019875648 166191933 /nfs/dbraw/zinc/19/19/33/166191933.db2.gz QBUFTRABUGKTBY-SNVBAGLBSA-N 1 0 219.284 1.988 10 30 BDEERO C#CCOc1ccc(C[NH2+]CCOC)cc1OC ZINC000045945866 166198736 /nfs/dbraw/zinc/19/87/36/166198736.db2.gz GCOFKPRVWXBGNJ-UHFFFAOYSA-N 1 0 249.310 1.443 10 30 BDEERO C#C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C#C)N1C ZINC000019706921 166213950 /nfs/dbraw/zinc/21/39/50/166213950.db2.gz FPLOYXNZMBETBM-HZPDHXFCSA-N 1 0 238.334 1.438 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019442227 166222637 /nfs/dbraw/zinc/22/26/37/166222637.db2.gz ZEFICAMRBJJWHG-GFCCVEGCSA-N 1 0 214.268 1.358 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336773090 166300339 /nfs/dbraw/zinc/30/03/39/166300339.db2.gz YQNHBSBUYUXCJX-HBNTYKKESA-N 1 0 210.321 1.598 10 30 BDEERO C=CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH3+] ZINC000076632769 166347338 /nfs/dbraw/zinc/34/73/38/166347338.db2.gz XJSBYAGBDPILAF-UHFFFAOYSA-N 1 0 247.342 1.226 10 30 BDEERO C=CCNC(=O)COc1ccc([C@@H](C)[NH3+])cc1 ZINC000037697454 166371556 /nfs/dbraw/zinc/37/15/56/166371556.db2.gz WKJMENWHLSKZRS-SNVBAGLBSA-N 1 0 234.299 1.387 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1cccs1 ZINC000057516697 166374202 /nfs/dbraw/zinc/37/42/02/166374202.db2.gz DOTMDWFSGPGQIW-SECBINFHSA-N 1 0 224.329 1.483 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000057499455 166374811 /nfs/dbraw/zinc/37/48/11/166374811.db2.gz WFJOAPCGLXKGMN-GFCCVEGCSA-N 1 0 218.300 1.421 10 30 BDEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171696981 166389505 /nfs/dbraw/zinc/38/95/05/166389505.db2.gz MNHYYPPTKNHMKY-UWVGGRQHSA-N 1 0 228.361 1.114 10 30 BDEERO C=CC[NH2+]CC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000049827220 166399192 /nfs/dbraw/zinc/39/91/92/166399192.db2.gz HPEBDAHDARHLBV-LLVKDONJSA-N 1 0 235.283 1.614 10 30 BDEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000095081772 166399273 /nfs/dbraw/zinc/39/92/73/166399273.db2.gz SDNADQIIPUCYAP-SNVBAGLBSA-N 1 0 236.290 1.779 10 30 BDEERO C=CC[NH2+]CC[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000049836955 166399768 /nfs/dbraw/zinc/39/97/68/166399768.db2.gz CNIXIQFUFQNLGI-GFCCVEGCSA-N 1 0 249.310 1.657 10 30 BDEERO C=CCOc1ccccc1C[NH2+][C@H](C)C(N)=O ZINC000035047462 166424984 /nfs/dbraw/zinc/42/49/84/166424984.db2.gz OQFPLVWULDTFLK-SNVBAGLBSA-N 1 0 234.299 1.215 10 30 BDEERO CC(C)(C)C[C@@H](C#N)N1CCC[NH2+]CC1 ZINC000061840150 166595306 /nfs/dbraw/zinc/59/53/06/166595306.db2.gz OIYXNZMKJAZYEC-NSHDSACASA-N 1 0 209.337 1.610 10 30 BDEERO CC1CC[NH+](CCCNCCC#N)CC1 ZINC000027742668 168179373 /nfs/dbraw/zinc/17/93/73/168179373.db2.gz UXFKWAGNTYIHQP-UHFFFAOYSA-N 1 0 209.337 1.612 10 30 BDEERO CCC(=O)Nc1ccc(F)cc1C#CC[NH3+] ZINC000037471252 168244530 /nfs/dbraw/zinc/24/45/30/168244530.db2.gz SPRXJFASCGEWEL-UHFFFAOYSA-N 1 0 220.247 1.484 10 30 BDEERO C=CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659338208 411398830 /nfs/dbraw/zinc/39/88/30/411398830.db2.gz NYCCMUMEBRLFDG-HTQZYQBOSA-N 1 0 236.237 1.077 10 30 BDEERO CCN(C[C@@H](C)C#N)C(=O)C1CCC([NH3+])CC1 ZINC000037821121 169877756 /nfs/dbraw/zinc/87/77/56/169877756.db2.gz UUANVFPLKIMOAI-UNXYVOJBSA-N 1 0 237.347 1.512 10 30 BDEERO COCC#CC[NH2+]C1(C2CCC2)CCC1 ZINC000657263843 411437474 /nfs/dbraw/zinc/43/74/74/411437474.db2.gz GRUBWLCGUDOQCP-UHFFFAOYSA-N 1 0 207.317 1.949 10 30 BDEERO CCN[C@@](C)(C#N)CCC[N@H+](C)CCN(C)C ZINC000104191198 170155251 /nfs/dbraw/zinc/15/52/51/170155251.db2.gz WNGXEKIYIZMGOZ-CYBMUJFWSA-N 1 0 240.395 1.152 10 30 BDEERO CCOC(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000037749376 170208737 /nfs/dbraw/zinc/20/87/37/170208737.db2.gz REWQRBWAPHRUCE-UHFFFAOYSA-N 1 0 232.283 1.601 10 30 BDEERO CCOC(=O)Nc1ccc(C)c(C#CC[NH3+])c1 ZINC000104072146 170243713 /nfs/dbraw/zinc/24/37/13/170243713.db2.gz BMIVYWFVNGPRLM-UHFFFAOYSA-N 1 0 232.283 1.874 10 30 BDEERO CC[C@@H]1C[N@H+](CC2(C=O)CCOCC2)CCO1 ZINC000052180012 171076941 /nfs/dbraw/zinc/07/69/41/171076941.db2.gz LQUWRJCOGYYFJI-GFCCVEGCSA-N 1 0 241.331 1.093 10 30 BDEERO CC[C@@H]1C[N@H+](CC2(C=O)CCCC2)CCN1C ZINC000104137303 171077197 /nfs/dbraw/zinc/07/71/97/171077197.db2.gz BMMNLJPUMOUBII-CYBMUJFWSA-N 1 0 238.375 1.772 10 30 BDEERO CC[C@@H]1CO[C@@H](c2ccc(C#N)cc2)C[NH2+]1 ZINC000036672722 171109830 /nfs/dbraw/zinc/10/98/30/171109830.db2.gz CFKKNKPLQUMDJB-CHWSQXEVSA-N 1 0 216.284 1.998 10 30 BDEERO CC[C@H](C#N)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979951 171219517 /nfs/dbraw/zinc/21/95/17/171219517.db2.gz DPHZFJXJIKCVDE-OLZOCXBDSA-N 1 0 221.348 1.849 10 30 BDEERO C=CCN(C(=O)C[C@H]([NH3+])C(C)C)[C@H](C)COC ZINC000662855180 412325530 /nfs/dbraw/zinc/32/55/30/412325530.db2.gz RBYQWNQDTACDIQ-NEPJUHHUSA-N 1 0 242.363 1.409 10 30 BDEERO CC[C@]1(C(=O)N(C)C[C@@H](C)C#N)CCC[NH2+]C1 ZINC000062857644 171710119 /nfs/dbraw/zinc/71/01/19/171710119.db2.gz MZUBDAMMEUGJIB-AAEUAGOBSA-N 1 0 237.347 1.384 10 30 BDEERO CN(/N=C/c1cc[n+](C)cc1)c1ccccc1 ZINC000006068503 172292529 /nfs/dbraw/zinc/29/25/29/172292529.db2.gz FGVWHENWNJKCEH-UHFFFAOYSA-N 1 0 226.303 1.981 10 30 BDEERO CN(C)C(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828050 172360482 /nfs/dbraw/zinc/36/04/82/172360482.db2.gz FDOREBMTNXSVJQ-MNOVXSKESA-N 1 0 223.320 1.137 10 30 BDEERO C[NH+](C)CCCN[C@@H](C#N)c1ccccc1F ZINC000019988497 172441724 /nfs/dbraw/zinc/44/17/24/172441724.db2.gz VFYOWOPJLMMKNF-ZDUSSCGKSA-N 1 0 235.306 1.932 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000070916253 172527315 /nfs/dbraw/zinc/52/73/15/172527315.db2.gz MHNXPCJAPOPFKB-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO CN(Cc1cc(C#N)ccc1F)[C@H]1CC[NH2+]C1 ZINC000071311512 172838542 /nfs/dbraw/zinc/83/85/42/172838542.db2.gz VPSOTNVYIDLZNV-LBPRGKRZSA-N 1 0 233.290 1.491 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#N)o1 ZINC000311200213 173113813 /nfs/dbraw/zinc/11/38/13/173113813.db2.gz HGOIQBFLBDYDLS-SNVBAGLBSA-N 1 0 247.298 1.175 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(C#N)n1 ZINC000081619609 173113876 /nfs/dbraw/zinc/11/38/76/173113876.db2.gz DCPMYZIIVVBLLP-LLVKDONJSA-N 1 0 230.315 1.341 10 30 BDEERO C[N@@H+]1CC[C@@H](CNc2ccccc2C#N)C1 ZINC000037655396 173117685 /nfs/dbraw/zinc/11/76/85/173117685.db2.gz RFCZKNPYKONBQL-NSHDSACASA-N 1 0 215.300 1.922 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000048738743 173125132 /nfs/dbraw/zinc/12/51/32/173125132.db2.gz BFTQMZYTLHOGDC-GFCCVEGCSA-N 1 0 201.273 1.674 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2cccc(C#N)c2)C1 ZINC000061984640 173126158 /nfs/dbraw/zinc/12/61/58/173126158.db2.gz BIJJSHFYAVQJBC-GFCCVEGCSA-N 1 0 201.273 1.674 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCCC1 ZINC000071190153 173144314 /nfs/dbraw/zinc/14/43/14/173144314.db2.gz LAAIAQVOSVCXHL-LBPRGKRZSA-N 1 0 249.358 1.480 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccc(N)cc2C#N)C1 ZINC000042545210 173154363 /nfs/dbraw/zinc/15/43/63/173154363.db2.gz GWEPBJBYJXJIOD-NSHDSACASA-N 1 0 216.288 1.256 10 30 BDEERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1C#N ZINC000061300194 173319058 /nfs/dbraw/zinc/31/90/58/173319058.db2.gz ISTVFJZSHVEMSV-UHFFFAOYSA-N 1 0 217.272 1.495 10 30 BDEERO C[NH2+]CCCC(=O)Nc1cccc(F)c1C#N ZINC000037610761 173345348 /nfs/dbraw/zinc/34/53/48/173345348.db2.gz VHTIGRCZGIPHNA-UHFFFAOYSA-N 1 0 235.262 1.635 10 30 BDEERO C[NH2+][C@@H](C)C(=O)N(C)c1ccc(C#N)cc1 ZINC000061980672 173412698 /nfs/dbraw/zinc/41/26/98/173412698.db2.gz HGOGPGPGPIUJIE-VIFPVBQESA-N 1 0 217.272 1.129 10 30 BDEERO COCC(=O)Nc1ccc(/[NH+]=C(/C)N(C)C)cc1 ZINC000100375414 174058776 /nfs/dbraw/zinc/05/87/76/174058776.db2.gz MKFMTNNOZQXQBP-UVTDQMKNSA-N 1 0 249.314 1.883 10 30 in-man BDEERO COCCNC(Cc1ccc(C)c(C)c1)=[NH+]N ZINC000053293266 174303437 /nfs/dbraw/zinc/30/34/37/174303437.db2.gz SMSWOLNMAGFWCL-UHFFFAOYSA-N 1 0 235.331 1.354 10 30 BDEERO COc1ccccc1[C@@H](C#N)N1CC[NH2+]CC1 ZINC000019274467 175343303 /nfs/dbraw/zinc/34/33/03/175343303.db2.gz FIEGEFBXIOTFGZ-GFCCVEGCSA-N 1 0 231.299 1.165 10 30 BDEERO C[C@@H](S)[C@@H]1[NH2+]CCc2ccc(N)cc21 ZINC000075752004 176006926 /nfs/dbraw/zinc/00/69/26/176006926.db2.gz JAEUJKOIFWFDGX-HQJQHLMTSA-N 1 0 208.330 1.774 10 30 BDEERO C[C@@H](c1ccc(C#CC[NH3+])cc1)N1CCCC1=O ZINC000049587749 176013633 /nfs/dbraw/zinc/01/36/33/176013633.db2.gz MQAPUTPSCGOQBF-LBPRGKRZSA-N 1 0 242.322 1.680 10 30 BDEERO C[C@@H]1CCC[C@@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019393397 176132718 /nfs/dbraw/zinc/13/27/18/176132718.db2.gz ITLPYIVYVKYOMV-VXGBXAGGSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000251529144 176307702 /nfs/dbraw/zinc/30/77/02/176307702.db2.gz AGLRHTYPMUMUDY-IUODEOHRSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(F)c1C#N ZINC000104211376 176329299 /nfs/dbraw/zinc/32/92/99/176329299.db2.gz YJHDQADUASXOLX-SCZZXKLOSA-N 1 0 247.273 1.491 10 30 BDEERO C[C@H](C[NH3+])C(=O)Nc1sccc1C#N ZINC000054344532 176657606 /nfs/dbraw/zinc/65/76/06/176657606.db2.gz ACOJKSRPXKGYLX-ZCFIWIBFSA-N 1 0 209.274 1.153 10 30 BDEERO C[C@H]1CCCN1C(=O)c1ccccc1C#CC[NH3+] ZINC000037912568 177108469 /nfs/dbraw/zinc/10/84/69/177108469.db2.gz VJZVNXADNMVVMF-LBPRGKRZSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCC[C@@H]1C ZINC000020055271 177122729 /nfs/dbraw/zinc/12/27/29/177122729.db2.gz FSEAOGZZJSNRAM-HBNTYKKESA-N 1 0 223.320 1.040 10 30 BDEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042428746 177182224 /nfs/dbraw/zinc/18/22/24/177182224.db2.gz DTQYZLFDMSLLAP-IRCOFANPSA-N 1 0 235.331 1.264 10 30 BDEERO C[C@H]1CN(c2cc(C#N)ccn2)C[C@H]1[NH+](C)C ZINC000251575699 177276342 /nfs/dbraw/zinc/27/63/42/177276342.db2.gz CEMJJDLTNUBINL-CMPLNLGQSA-N 1 0 230.315 1.340 10 30 BDEERO Cc1nc(N[C@H](C[NH3+])CC(C)C)ccc1C#N ZINC000336721259 177502369 /nfs/dbraw/zinc/50/23/69/177502369.db2.gz SNPKVBOOLZIJGJ-LBPRGKRZSA-N 1 0 232.331 1.469 10 30 BDEERO Cc1c(F)cc(C#N)cc1NC(=O)C[NH2+]C(C)C ZINC000037610331 177605631 /nfs/dbraw/zinc/60/56/31/177605631.db2.gz PVHIWJJLVZQEIP-UHFFFAOYSA-N 1 0 249.289 1.942 10 30 BDEERO Cc1cc(N[C@@H](C)CC[NH3+])cc(C#N)n1 ZINC000308238406 229225133 /nfs/dbraw/zinc/22/51/33/229225133.db2.gz JBPAQNIPIKVOTC-QMMMGPOBSA-N 1 0 204.277 1.411 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c(C#N)cn1 ZINC000398952669 267341047 /nfs/dbraw/zinc/34/10/47/267341047.db2.gz CQPZGPVVKAEUNE-GHMZBOCLSA-N 1 0 230.315 1.435 10 30 BDEERO N#Cc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000084446665 322960653 /nfs/dbraw/zinc/96/06/53/322960653.db2.gz PBTQQCOZTGHACD-UHFFFAOYSA-N 1 0 216.284 1.419 10 30 BDEERO C=C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000309495292 487888187 /nfs/dbraw/zinc/88/81/87/487888187.db2.gz JXKURFYGEYQVSL-AXFHLTTASA-N 1 0 210.321 1.311 10 30 BDEERO N#CCC1(CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000094460554 487952032 /nfs/dbraw/zinc/95/20/32/487952032.db2.gz WNLODAMMKAQBEW-LBPRGKRZSA-N 1 0 219.332 1.460 10 30 BDEERO N#Cc1ccccc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536952459 323958883 /nfs/dbraw/zinc/95/88/83/323958883.db2.gz DLLCKGPEVIFKQQ-CYBMUJFWSA-N 1 0 230.311 1.763 10 30 BDEERO C=C(C)COCC[NH2+]CC1CCOCC1 ZINC000122106443 324028840 /nfs/dbraw/zinc/02/88/40/324028840.db2.gz YFLSNQWTTXKEBK-UHFFFAOYSA-N 1 0 213.321 1.595 10 30 BDEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135161290 325398071 /nfs/dbraw/zinc/39/80/71/325398071.db2.gz PZMLJWQQRLEPKN-LLVKDONJSA-N 1 0 233.315 1.725 10 30 BDEERO C[C@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000082576393 325542969 /nfs/dbraw/zinc/54/29/69/325542969.db2.gz TYORVAVSGGTRCU-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO C=CCSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567041611 326105032 /nfs/dbraw/zinc/10/50/32/326105032.db2.gz YQSVZFWPWQJZSS-NEPJUHHUSA-N 1 0 228.405 1.883 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)o1 ZINC000135482894 487973592 /nfs/dbraw/zinc/97/35/92/487973592.db2.gz CNUOQVHPAWXTFM-NXEZZACHSA-N 1 0 220.272 1.544 10 30 BDEERO C=C(Cl)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000261545012 534444687 /nfs/dbraw/zinc/44/46/87/534444687.db2.gz JJVPESKSZGTCAS-NXEZZACHSA-N 1 0 230.739 1.489 10 30 BDEERO CC#CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174882686 534708642 /nfs/dbraw/zinc/70/86/42/534708642.db2.gz VLKJEPUUYWVXLR-OAHLLOKOSA-N 1 0 249.402 1.112 10 30 BDEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309732291 534761810 /nfs/dbraw/zinc/76/18/10/534761810.db2.gz FMLPYFKSQHVLQV-QJPTWQEYSA-N 1 0 224.348 1.988 10 30 BDEERO C=CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803697 534818703 /nfs/dbraw/zinc/81/87/03/534818703.db2.gz LVIPPKAHPXZZJC-LBPRGKRZSA-N 1 0 232.331 1.563 10 30 BDEERO CC[NH+]=C(NCCc1ccco1)N[C@@H]1C[C@@H]1C ZINC000115173240 535261754 /nfs/dbraw/zinc/26/17/54/535261754.db2.gz LBOJTNYFDXASGT-CMPLNLGQSA-N 1 0 235.331 1.786 10 30 BDEERO CC[NH+]=C(NCCn1cccc1)N[C@H]1CC1(C)C ZINC000261811582 535262389 /nfs/dbraw/zinc/26/23/89/535262389.db2.gz SPJZSBFLPQAKIM-LBPRGKRZSA-N 1 0 248.374 1.842 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1ccc(C#N)cc1F ZINC000308872064 631701839 /nfs/dbraw/zinc/70/18/39/631701839.db2.gz ZKQXXFUDGAZMCW-MRVPVSSYSA-N 1 0 207.252 1.481 10 30 BDEERO Cc1nc(C#N)cc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000258761757 635197323 /nfs/dbraw/zinc/19/73/23/635197323.db2.gz JFYUVMOIAOMNCW-NSHDSACASA-N 1 0 245.330 1.045 10 30 BDEERO C=C(Cl)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000306722433 636336334 /nfs/dbraw/zinc/33/63/34/636336334.db2.gz IUEOYVVVKUJUCL-DTWKUNHWSA-N 1 0 216.712 1.243 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262772447 636550392 /nfs/dbraw/zinc/55/03/92/636550392.db2.gz HPALVIIHWICPEO-NSHDSACASA-N 1 0 239.363 1.363 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000162330943 637316903 /nfs/dbraw/zinc/31/69/03/637316903.db2.gz HWWPRKDMAJRIAN-POYBYMJQSA-N 1 0 204.701 1.229 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1nc(C)cc(C#N)n1 ZINC000231942518 641220062 /nfs/dbraw/zinc/22/00/62/641220062.db2.gz JTJIJFPPTIDLBV-GFCCVEGCSA-N 1 0 245.330 1.235 10 30 BDEERO COc1ccc(C#N)cc1C[NH2+]C(C)(C)CO ZINC000130239827 641599576 /nfs/dbraw/zinc/59/95/76/641599576.db2.gz UBSKICCQSXWDJT-UHFFFAOYSA-N 1 0 234.299 1.427 10 30 BDEERO C#CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000069768481 642902479 /nfs/dbraw/zinc/90/24/79/642902479.db2.gz VCRGVQCLCXGCPC-UHFFFAOYSA-N 1 0 216.284 1.758 10 30 BDEERO CCN(c1ncccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000070901234 643081181 /nfs/dbraw/zinc/08/11/81/643081181.db2.gz SCUDNDWSRIRMEZ-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO C#C[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000185961804 643417402 /nfs/dbraw/zinc/41/74/02/643417402.db2.gz ZBLUQVHDJRZXAK-NWDGAFQWSA-N 1 0 239.363 1.284 10 30 BDEERO C=C(Cl)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000711019519 712274914 /nfs/dbraw/zinc/27/49/14/712274914.db2.gz CKCWOVJSSABPRH-UWVGGRQHSA-N 1 0 202.729 1.717 10 30 BDEERO CC1(C)CN(c2ccnc(C#N)c2)C[C@@H]1[NH3+] ZINC000720749899 712863743 /nfs/dbraw/zinc/86/37/43/712863743.db2.gz WLJBFMQGBKVWFY-NSHDSACASA-N 1 0 216.288 1.127 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381263199 710614285 /nfs/dbraw/zinc/61/42/85/710614285.db2.gz PUHPZCSLFIDVLA-YRGRVCCFSA-N 1 0 249.358 1.336 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(C#N)cc1F ZINC000723785243 711537344 /nfs/dbraw/zinc/53/73/44/711537344.db2.gz KLVYABYCYZFVCV-KOLCDFICSA-N 1 0 233.290 1.965 10 30 BDEERO N#Cc1cnccc1NCCCCCC[NH3+] ZINC000700541413 711996494 /nfs/dbraw/zinc/99/64/94/711996494.db2.gz QVBUDVPHFFGFCU-UHFFFAOYSA-N 1 0 218.304 1.306 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000702649568 712058624 /nfs/dbraw/zinc/05/86/24/712058624.db2.gz LNGPXPYMTQBEOV-WPRPVWTQSA-N 1 0 246.270 1.392 10 30 BDEERO CN(CCCCCC[NH3+])c1cnc(C#N)cn1 ZINC000710800745 712257087 /nfs/dbraw/zinc/25/70/87/712257087.db2.gz XZMRKEPUCRZSKL-UHFFFAOYSA-N 1 0 233.319 1.304 10 30 BDEERO CCC1([NH3+])CCN(c2cccc(C#N)n2)CC1 ZINC000714752487 712497288 /nfs/dbraw/zinc/49/72/88/712497288.db2.gz USZWXSBAZUIOKI-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1cc(F)c(NC[C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC000715082128 712507283 /nfs/dbraw/zinc/50/72/83/712507283.db2.gz OGWUHYMACDQDKB-DTORHVGOSA-N 1 0 237.253 1.986 10 30 BDEERO Cc1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)c1C#N ZINC000715125474 712510808 /nfs/dbraw/zinc/51/08/08/712510808.db2.gz LPHHDDUIUQVUDK-AOOOYVTPSA-N 1 0 216.288 1.411 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccncc1C#N ZINC000721121522 712892196 /nfs/dbraw/zinc/89/21/96/712892196.db2.gz MLAHTCUTZLFOJM-GHMZBOCLSA-N 1 0 230.315 1.033 10 30 BDEERO CCC(C=O)(CC)C[NH+](CCOC)CCOC ZINC000103508724 168311314 /nfs/dbraw/zinc/31/13/14/168311314.db2.gz YSFUPGTWSWLHLO-UHFFFAOYSA-N 1 0 245.363 1.587 10 30 BDEERO C#CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960592 538907441 /nfs/dbraw/zinc/90/74/41/538907441.db2.gz UAXGGDBRBVGNLO-UHFFFAOYSA-N 1 0 201.269 1.759 10 30 BDEERO CC#CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960311 538907704 /nfs/dbraw/zinc/90/77/04/538907704.db2.gz DIUBONRVJFNMAL-UHFFFAOYSA-N 1 0 201.269 1.759 10 30 BDEERO CC[C@@H](C#N)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602089161 349435836 /nfs/dbraw/zinc/43/58/36/349435836.db2.gz RORAJXONROMMPI-NSHDSACASA-N 1 0 235.331 1.281 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]1CCC[NH2+]C1 ZINC000685952552 538896419 /nfs/dbraw/zinc/89/64/19/538896419.db2.gz ARLLHVYJTGWEGW-SNVBAGLBSA-N 1 0 209.289 1.331 10 30 BDEERO N#C[C@@]1(N2CCC[NH2+]CC2)CCCSC1 ZINC000061590379 187322368 /nfs/dbraw/zinc/32/23/68/187322368.db2.gz VJAOLKMLAPSJLI-NSHDSACASA-N 1 0 225.361 1.071 10 30 BDEERO Cc1ccc(C#N)c(N2CCC[NH2+]CC2)c1 ZINC000051578143 178363353 /nfs/dbraw/zinc/36/33/53/178363353.db2.gz GYHDOWPPMRTJJY-UHFFFAOYSA-N 1 0 215.300 1.666 10 30 BDEERO Cc1ccc(C#N)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000051888767 178365642 /nfs/dbraw/zinc/36/56/42/178365642.db2.gz PBOVRMDOEWVJIG-NSHDSACASA-N 1 0 216.284 1.855 10 30 BDEERO Cc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)C1 ZINC000061989846 178367266 /nfs/dbraw/zinc/36/72/66/178367266.db2.gz CLENNPRKJKZIMG-GFCCVEGCSA-N 1 0 215.300 1.983 10 30 BDEERO N#Cc1ccc(NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000094592152 398287026 /nfs/dbraw/zinc/28/70/26/398287026.db2.gz AVPWTFOWVJHFRQ-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000250087145 398296053 /nfs/dbraw/zinc/29/60/53/398296053.db2.gz MSUXOURFUDWQMH-AWEZNQCLSA-N 1 0 242.326 1.628 10 30 BDEERO C=CC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000033465465 187207700 /nfs/dbraw/zinc/20/77/00/187207700.db2.gz UNIXAKDSHBLTFY-ZDUSSCGKSA-N 1 0 235.327 1.819 10 30 BDEERO C[C@H]1C[NH+](C(C)(C)C=O)C[C@H](C)S1 ZINC000306669979 362032657 /nfs/dbraw/zinc/03/26/57/362032657.db2.gz BXVLIFYIAHMKQT-IUCAKERBSA-N 1 0 201.335 1.790 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000309977157 343124555 /nfs/dbraw/zinc/12/45/55/343124555.db2.gz UELALRWPSKLAOY-QWRGUYRKSA-N 1 0 223.320 1.137 10 30 BDEERO C=CCCCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344736970 365721614 /nfs/dbraw/zinc/72/16/14/365721614.db2.gz ZRHMUWLVCAPIJS-QWHCGFSZSA-N 1 0 227.348 1.814 10 30 BDEERO C=CC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000122413362 343159434 /nfs/dbraw/zinc/15/94/34/343159434.db2.gz CKGFHNJDZPCZDV-GHMZBOCLSA-N 1 0 210.321 1.457 10 30 BDEERO C[NH+](C)CC#Cc1cccc(/C=N\O)c1 ZINC000033376394 343252658 /nfs/dbraw/zinc/25/26/58/343252658.db2.gz YNDFBDFNMLUKBY-RAXLEYEMSA-N 1 0 202.257 1.408 10 30 BDEERO Cc1cc(N2CC[C@H](O)[C@H](C)C2)c(C#N)c(C)n1 ZINC000166256962 136327341 /nfs/dbraw/zinc/32/73/41/136327341.db2.gz NMRMZFDRIYNOTG-OTYXRUKQSA-N 1 0 245.326 1.777 10 30 BDEERO C[C@@]1(CNc2cc(C#N)ncn2)CCC[NH2+]C1 ZINC000310298497 343419887 /nfs/dbraw/zinc/41/98/87/343419887.db2.gz POZKOIOKNGRHOC-GFCCVEGCSA-N 1 0 231.303 1.150 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000083425708 343484898 /nfs/dbraw/zinc/48/48/98/343484898.db2.gz FTUACUODWKSADA-TUAOUCFPSA-N 1 0 208.305 1.837 10 30 BDEERO C[NH+]1CCC(C#N)(NCc2cccs2)CC1 ZINC000037939692 187261984 /nfs/dbraw/zinc/26/19/84/187261984.db2.gz FOXZPKWDPWTTBZ-UHFFFAOYSA-N 1 0 235.356 1.826 10 30 BDEERO CC[N@H+](CCC#N)C[C@H]1CCC[C@@H](O)C1 ZINC000379823919 343634545 /nfs/dbraw/zinc/63/45/45/343634545.db2.gz VNSCFQRRRAYCPI-NWDGAFQWSA-N 1 0 210.321 1.773 10 30 BDEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000178284121 346950769 /nfs/dbraw/zinc/95/07/69/346950769.db2.gz UFJDOHSBDCAJJB-ZDUSSCGKSA-N 1 0 232.331 1.960 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214644020 343739189 /nfs/dbraw/zinc/73/91/89/343739189.db2.gz TZPYWXTUJVMGSP-SECBINFHSA-N 1 0 249.274 1.257 10 30 BDEERO CC(=O)NCC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054825242 187272335 /nfs/dbraw/zinc/27/23/35/187272335.db2.gz DPMBCNCGTMIOBD-NEPJUHHUSA-N 1 0 223.320 1.185 10 30 BDEERO NC(=O)c1ccccc1C[NH+]1CCC(C=O)CC1 ZINC000054239076 187272550 /nfs/dbraw/zinc/27/25/50/187272550.db2.gz SJCCSZITFUWIPD-UHFFFAOYSA-N 1 0 246.310 1.196 10 30 BDEERO N/C(=N/O)c1nc(C2CC2)n2ccccc12 ZINC000213100788 343791876 /nfs/dbraw/zinc/79/18/76/343791876.db2.gz PAIFACXAEDGRJH-UHFFFAOYSA-N 1 0 216.244 1.306 10 30 BDEERO N#CCOc1ccc(C[NH3+])cc1Br ZINC000070503606 187275091 /nfs/dbraw/zinc/27/50/91/187275091.db2.gz LERBSOOTHYHZRT-UHFFFAOYSA-N 1 0 241.088 1.810 10 30 BDEERO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000209509292 349879097 /nfs/dbraw/zinc/87/90/97/349879097.db2.gz DLZLUJOMHPANQW-YPMHNXCESA-N 1 0 213.284 1.356 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(-c2ccncc2)n1 ZINC000409437111 343842443 /nfs/dbraw/zinc/84/24/43/343842443.db2.gz DSZXYBWWYJWGNU-UHFFFAOYSA-N 1 0 226.283 1.298 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(-c2ccccc2)n1 ZINC000409437483 343843706 /nfs/dbraw/zinc/84/37/06/343843706.db2.gz GZQHNLJDNDZHSB-UHFFFAOYSA-N 1 0 225.295 1.903 10 30 BDEERO C[NH2+]C1CN([C@@](C)(C#N)Cc2ccccc2)C1 ZINC000409440543 343852487 /nfs/dbraw/zinc/85/24/87/343852487.db2.gz LLEWAQWPNFUUOJ-CQSZACIVSA-N 1 0 229.327 1.415 10 30 BDEERO C#CCn1nc(-c2ccccn2)cc1C[NH2+]C ZINC000409443745 343862900 /nfs/dbraw/zinc/86/29/00/343862900.db2.gz SVHBZSYIAJHFHM-UHFFFAOYSA-N 1 0 226.283 1.298 10 30 BDEERO C#CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000306969613 343893006 /nfs/dbraw/zinc/89/30/06/343893006.db2.gz SITBMZVQRPOLPB-KXUCPTDWSA-N 1 0 213.371 1.589 10 30 BDEERO C=C(Br)CSC1=[NH+]C[C@H](C)N1 ZINC000306929389 343893075 /nfs/dbraw/zinc/89/30/75/343893075.db2.gz BBNCPZVRNDSASO-LURJTMIESA-N 1 0 235.150 1.976 10 30 BDEERO C=C(C)C[C@H](O)[C@H]1CSCC[N@H+]1C ZINC000234321449 343940895 /nfs/dbraw/zinc/94/08/95/343940895.db2.gz GKWBLFUDOFNSJX-ZJUUUORDSA-N 1 0 201.335 1.361 10 30 BDEERO Cc1sccc1C#CCN(C)CC[NH3+] ZINC000307638718 343952493 /nfs/dbraw/zinc/95/24/93/343952493.db2.gz DDHLYMPDCNDTAZ-UHFFFAOYSA-N 1 0 208.330 1.299 10 30 BDEERO CC[C@H]1CN(c2nccc(C)c2C#N)CC[C@@H]1[NH3+] ZINC000135209282 343967369 /nfs/dbraw/zinc/96/73/69/343967369.db2.gz HMVGMTBENTVVCW-AAEUAGOBSA-N 1 0 244.342 1.825 10 30 BDEERO N#CCC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570194 344171825 /nfs/dbraw/zinc/17/18/25/344171825.db2.gz MIFUDPWPKLGEOE-QWHCGFSZSA-N 1 0 243.310 1.243 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755586 344216207 /nfs/dbraw/zinc/21/62/07/344216207.db2.gz CFWJGEIKPMAEOV-GVXVVHGQSA-N 1 0 222.332 1.457 10 30 BDEERO CC#CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247882115 344695648 /nfs/dbraw/zinc/69/56/48/344695648.db2.gz BWEQNSLDTHGKRV-STQMWFEESA-N 1 0 207.317 1.637 10 30 BDEERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000356345862 345037042 /nfs/dbraw/zinc/03/70/42/345037042.db2.gz DFZGXCDIWBRSEO-QJPTWQEYSA-N 1 0 208.305 1.693 10 30 BDEERO CNC(=[NH2+])SC[C@H]1Cc2ccccc2O1 ZINC000155285183 345075997 /nfs/dbraw/zinc/07/59/97/345075997.db2.gz RHBULVPFAJFNAH-SECBINFHSA-N 1 0 222.313 1.668 10 30 BDEERO C[NH+](C)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000260501597 345146127 /nfs/dbraw/zinc/14/61/27/345146127.db2.gz TVPXUGBYYCLDSV-QJPTWQEYSA-N 1 0 207.321 1.315 10 30 BDEERO C[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC000082575826 345439219 /nfs/dbraw/zinc/43/92/19/345439219.db2.gz ADUYUJFEXQVKSO-MRVPVSSYSA-N 1 0 216.288 1.201 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@@H](C)[NH3+])n1 ZINC000082575426 345440586 /nfs/dbraw/zinc/44/05/86/345440586.db2.gz NXFMICBIEYFANV-MRVPVSSYSA-N 1 0 204.277 1.329 10 30 BDEERO C#CC[N@@H+](C)[C@@H]1CCc2ccc(O)cc21 ZINC000013492316 187307521 /nfs/dbraw/zinc/30/75/21/187307521.db2.gz AXIKLEVFYDZYKE-CYBMUJFWSA-N 1 0 201.269 1.945 10 30 BDEERO COC[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082669192 345664199 /nfs/dbraw/zinc/66/41/99/345664199.db2.gz IGMPSPSWBRXIPH-VIFPVBQESA-N 1 0 205.261 1.078 10 30 BDEERO CNc1cc(N2CCC(C#N)CC2)nc(C)[nH+]1 ZINC000258768580 345786327 /nfs/dbraw/zinc/78/63/27/345786327.db2.gz QGIOHXFEXBAYJA-UHFFFAOYSA-N 1 0 231.303 1.567 10 30 BDEERO C#Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](O)C(C)(C)O2 ZINC000141376321 345859838 /nfs/dbraw/zinc/85/98/38/345859838.db2.gz VNQMZYFAFRNIID-NWDGAFQWSA-N 1 0 217.268 1.200 10 30 BDEERO C=CCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000054400987 187360400 /nfs/dbraw/zinc/36/04/00/187360400.db2.gz UJQIWUMQDSNDJC-NWDGAFQWSA-N 1 0 222.332 1.696 10 30 BDEERO CC(=O)N1CCCC[C@@H]1C#CC[NH+]1CCCC1 ZINC000005160057 187363677 /nfs/dbraw/zinc/36/36/77/187363677.db2.gz DSPDJPFEBQTXDO-CQSZACIVSA-N 1 0 234.343 1.487 10 30 BDEERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000136301859 346187721 /nfs/dbraw/zinc/18/77/21/346187721.db2.gz DTBJGUWIXNOOBA-LBPRGKRZSA-N 1 0 231.299 1.870 10 30 BDEERO O=C(C1=CCCCCC1)[C@H]1C[NH2+]CCO1 ZINC000236401325 346235686 /nfs/dbraw/zinc/23/56/86/346235686.db2.gz KNOLCMWFAVBQOL-LLVKDONJSA-N 1 0 209.289 1.434 10 30 BDEERO Cc1cccc(C[N@H+](C)CC/C(N)=N/O)c1 ZINC000019834080 179062981 /nfs/dbraw/zinc/06/29/81/179062981.db2.gz RQXZZCOARVZHGI-UHFFFAOYSA-N 1 0 221.304 1.563 10 30 BDEERO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)OC ZINC000300383191 346575796 /nfs/dbraw/zinc/57/57/96/346575796.db2.gz WXWIDIJSLDOYPC-SDDRHHMPSA-N 1 0 226.320 1.320 10 30 BDEERO Cc1ccc(NC(N)=[NH+]N)c(Br)c1 ZINC000164578893 346610496 /nfs/dbraw/zinc/61/04/96/346610496.db2.gz RNJOGJRGXJDUFZ-UHFFFAOYSA-N 1 0 243.108 1.358 10 30 BDEERO N[NH+]=C(N)Nc1cccc(Cl)c1Cl ZINC000164587060 346610752 /nfs/dbraw/zinc/61/07/52/346610752.db2.gz AEBWBXYHLCHVMM-UHFFFAOYSA-N 1 0 219.075 1.594 10 30 BDEERO N[NH+]=C(N)Nc1ccc(Br)c(F)c1 ZINC000164596537 346611536 /nfs/dbraw/zinc/61/15/36/346611536.db2.gz APCBYVIXSUYQBN-UHFFFAOYSA-N 1 0 247.071 1.189 10 30 BDEERO N#Cc1cncc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000401454842 346718150 /nfs/dbraw/zinc/71/81/50/346718150.db2.gz BZDMKBDJZDMHJK-LBPRGKRZSA-N 1 0 245.330 1.668 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000062965519 346756633 /nfs/dbraw/zinc/75/66/33/346756633.db2.gz DCKRYRFYJSPQHE-CQSZACIVSA-N 1 0 229.327 1.694 10 30 BDEERO N#Cc1cncc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000401515624 346765786 /nfs/dbraw/zinc/76/57/86/346765786.db2.gz OKAUTUGHWRVYJQ-NSHDSACASA-N 1 0 231.303 1.278 10 30 BDEERO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)cn1 ZINC000128314251 346775922 /nfs/dbraw/zinc/77/59/22/346775922.db2.gz STRIRKJLYZRVDN-CHWSQXEVSA-N 1 0 232.331 1.635 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cncc(C#N)n1 ZINC000401496724 346741114 /nfs/dbraw/zinc/74/11/14/346741114.db2.gz DPHFNCMIXKBNBO-LLVKDONJSA-N 1 0 233.319 1.158 10 30 BDEERO N#Cc1cncc(N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000401500582 346751709 /nfs/dbraw/zinc/75/17/09/346751709.db2.gz GVCMIVHYDFUVSZ-MWLCHTKSSA-N 1 0 231.303 1.278 10 30 BDEERO C=CCCCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309782386 347163148 /nfs/dbraw/zinc/16/31/48/347163148.db2.gz NFQGFZYSQAJVQC-NEPJUHHUSA-N 1 0 224.348 1.990 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C#N)ccn1 ZINC000092631317 347210163 /nfs/dbraw/zinc/21/01/63/347210163.db2.gz QUMBDFCWLXZWPK-ZDUSSCGKSA-N 1 0 244.342 1.874 10 30 BDEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC#N)C1 ZINC000195273049 347446298 /nfs/dbraw/zinc/44/62/98/347446298.db2.gz MHGTYDBQUSNDQF-AWEZNQCLSA-N 1 0 244.342 1.359 10 30 BDEERO N#CCC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570187 347914211 /nfs/dbraw/zinc/91/42/11/347914211.db2.gz MIFUDPWPKLGEOE-CHWSQXEVSA-N 1 0 243.310 1.243 10 30 BDEERO C=CCCSCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000595255618 348203887 /nfs/dbraw/zinc/20/38/87/348203887.db2.gz GQZAUMAURIULQU-GFCCVEGCSA-N 1 0 242.388 1.554 10 30 BDEERO CC[C@H](CC#N)[NH2+]CC1(O)CCSCC1 ZINC000595528778 348272486 /nfs/dbraw/zinc/27/24/86/348272486.db2.gz FEDQGRLIFDTTML-SNVBAGLBSA-N 1 0 228.361 1.526 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000595982772 348418220 /nfs/dbraw/zinc/41/82/20/348418220.db2.gz XMDFFWCSYVYSAE-AAEUAGOBSA-N 1 0 235.331 1.138 10 30 BDEERO C[NH2+]C[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000596033863 348428131 /nfs/dbraw/zinc/42/81/31/348428131.db2.gz WTIDVUVVZZHTOX-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO CC[C@H](CC#N)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597087885 348657018 /nfs/dbraw/zinc/65/70/18/348657018.db2.gz WFDSMOQHLHLMBH-WOPDTQHZSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000308905258 349062151 /nfs/dbraw/zinc/06/21/51/349062151.db2.gz LGZBLSLVPVWDLU-UTUOFQBUSA-N 1 0 210.321 1.771 10 30 BDEERO C#CC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161337370 349424849 /nfs/dbraw/zinc/42/48/49/349424849.db2.gz NVUHIDJFHLRTKL-LLVKDONJSA-N 1 0 218.304 1.111 10 30 BDEERO C[C@H]1CC[N@H+](C[C@@]2(C=O)CCCOC2)C1 ZINC000224152419 350311282 /nfs/dbraw/zinc/31/12/82/350311282.db2.gz LHATUBJGLMKARA-NWDGAFQWSA-N 1 0 211.305 1.324 10 30 BDEERO CC[N@@H+]1CCOC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616596870 350638287 /nfs/dbraw/zinc/63/82/87/350638287.db2.gz DIUQJOPYAYHIHV-AWEZNQCLSA-N 1 0 230.311 1.994 10 30 BDEERO N#Cc1ccccc1[C@@H]1CCOCCN1CC[NH3+] ZINC000616598114 350654823 /nfs/dbraw/zinc/65/48/23/350654823.db2.gz OOOJZLJBNHNDBF-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000309519596 350695255 /nfs/dbraw/zinc/69/52/55/350695255.db2.gz BBAVJECUGAWWQW-YVECIDJPSA-N 1 0 222.332 1.962 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236139404 350730372 /nfs/dbraw/zinc/73/03/72/350730372.db2.gz DEWIQZJQCJABLE-UWVGGRQHSA-N 1 0 232.274 1.940 10 30 BDEERO N#Cc1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616611365 350810898 /nfs/dbraw/zinc/81/08/98/350810898.db2.gz CKKGSQJTUZQFKW-LBPRGKRZSA-N 1 0 215.300 1.306 10 30 BDEERO CCN1CC[NH2+][C@H](c2cccc(C#N)c2)C1 ZINC000616632833 351113455 /nfs/dbraw/zinc/11/34/55/351113455.db2.gz QROXMCUIQPXOPL-ZDUSSCGKSA-N 1 0 215.300 1.524 10 30 BDEERO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000398385303 351127915 /nfs/dbraw/zinc/12/79/15/351127915.db2.gz VWQBUCRLTKNGRS-WDEREUQCSA-N 1 0 223.320 1.185 10 30 BDEERO CCN1CC[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000616636934 351130426 /nfs/dbraw/zinc/13/04/26/351130426.db2.gz GSIKVAKNLFOHDG-CYBMUJFWSA-N 1 0 215.300 1.524 10 30 BDEERO C=C(Cl)CN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000167975517 351141343 /nfs/dbraw/zinc/14/13/43/351141343.db2.gz XNMAGHCLNXDXPM-AEJSXWLSSA-N 1 0 202.729 1.797 10 30 BDEERO C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616684190 351255099 /nfs/dbraw/zinc/25/50/99/351255099.db2.gz GGUHPDCZJLAIQS-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616658422 351203754 /nfs/dbraw/zinc/20/37/54/351203754.db2.gz HVLAIAHERIJHRR-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616666552 351226884 /nfs/dbraw/zinc/22/68/84/351226884.db2.gz YDNNEICROZYFOK-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000168318838 351376187 /nfs/dbraw/zinc/37/61/87/351376187.db2.gz GXTFRJPOGZRBPD-GUBZILKMSA-N 1 0 247.180 1.953 10 30 BDEERO C=CC[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000034936803 351349874 /nfs/dbraw/zinc/34/98/74/351349874.db2.gz JQIIPDOCOMQCKP-JTQLQIEISA-N 1 0 210.321 1.599 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000638454536 352263684 /nfs/dbraw/zinc/26/36/84/352263684.db2.gz IKASMNMSSWVZMR-GHMZBOCLSA-N 1 0 240.347 1.082 10 30 BDEERO N[NH+]=C(N)Nc1cc(F)ccc1Br ZINC000232257217 352584483 /nfs/dbraw/zinc/58/44/83/352584483.db2.gz CMOIKHXUPQYIBY-UHFFFAOYSA-N 1 0 247.071 1.189 10 30 BDEERO C=C(Br)CNc1[nH+]ccc(N)c1N ZINC000307542005 352645921 /nfs/dbraw/zinc/64/59/21/352645921.db2.gz SXEPOFLIOQZORR-UHFFFAOYSA-N 1 0 243.108 1.567 10 30 BDEERO C=C(Br)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000307677410 352755445 /nfs/dbraw/zinc/75/54/45/352755445.db2.gz IYCUADNAGOSODJ-VHSXEESVSA-N 1 0 245.164 1.579 10 30 BDEERO Cc1ccc(C#N)c(NC[C@H](C)C[NH3+])n1 ZINC000420215255 192177041 /nfs/dbraw/zinc/17/70/41/192177041.db2.gz KOIKKUSPZLWUTL-MRVPVSSYSA-N 1 0 204.277 1.268 10 30 BDEERO N#C[C@H](c1ccccc1)N1CCC[NH2+]CC1 ZINC000037940554 187941706 /nfs/dbraw/zinc/94/17/06/187941706.db2.gz VKYIJEJKTFKMOI-CYBMUJFWSA-N 1 0 215.300 1.547 10 30 BDEERO C#CCN1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038045018 188007940 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/nfs/dbraw/zinc/58/90/44/353589044.db2.gz YZUJPHWTMBBHBF-LLVKDONJSA-N 1 0 218.304 1.305 10 30 BDEERO Cc1cc(NCC[C@H]2CCC[NH2+]2)c(C#N)cn1 ZINC000398999707 353551752 /nfs/dbraw/zinc/55/17/52/353551752.db2.gz RWNBDYZZQFMINS-GFCCVEGCSA-N 1 0 230.315 1.238 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)CC1(C#N)CC1 ZINC000343313962 353625009 /nfs/dbraw/zinc/62/50/09/353625009.db2.gz LEHLMOBFCVWUAK-LBPRGKRZSA-N 1 0 221.348 1.706 10 30 BDEERO N#Cc1ccnc(N[C@@H](CC[NH3+])C(F)F)c1 ZINC000383510385 353696753 /nfs/dbraw/zinc/69/67/53/353696753.db2.gz SFWCWCAVPMOLRT-QMMMGPOBSA-N 1 0 226.230 1.348 10 30 BDEERO Fc1ccccc1C#CCN1CC[NH2+]CC1 ZINC000052887730 181009842 /nfs/dbraw/zinc/00/98/42/181009842.db2.gz GTTHQCNJVQNFGP-UHFFFAOYSA-N 1 0 218.275 1.082 10 30 BDEERO N#CCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804994 181036093 /nfs/dbraw/zinc/03/60/93/181036093.db2.gz WUOBGETTWFFLFL-UHFFFAOYSA-N 1 0 245.330 1.657 10 30 BDEERO CC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)COC1 ZINC000087197467 353943810 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/nfs/dbraw/zinc/13/62/88/181136288.db2.gz RRIAZJSVYVLYKZ-STQMWFEESA-N 1 0 243.310 1.558 10 30 BDEERO N#Cc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000020055573 181145161 /nfs/dbraw/zinc/14/51/61/181145161.db2.gz DAJZYCYKOUCGEB-CYBMUJFWSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccccc1N[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC000063528155 181148828 /nfs/dbraw/zinc/14/88/28/181148828.db2.gz OPBOSOCRVDHYHG-OCCSQVGLSA-N 1 0 243.310 1.491 10 30 BDEERO N#Cc1cccnc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000042338218 181154258 /nfs/dbraw/zinc/15/42/58/181154258.db2.gz DHWFMFBQGTWNCL-NWDGAFQWSA-N 1 0 228.299 1.602 10 30 BDEERO N#CCC1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000088259519 356644642 /nfs/dbraw/zinc/64/46/42/356644642.db2.gz UYHHMEPHVNNAQZ-CYBMUJFWSA-N 1 0 249.358 1.087 10 30 BDEERO C#CC[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300030490 357174082 /nfs/dbraw/zinc/17/40/82/357174082.db2.gz RAOSRCKPIACXDW-KATARQTJSA-N 1 0 215.387 1.963 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccnc1C#N ZINC000130067980 357170828 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/nfs/dbraw/zinc/91/83/92/358918392.db2.gz DEEWBQFQXMXRTN-UHFFFAOYSA-N 1 0 202.258 1.253 10 30 BDEERO CCOCC[N@@H+]1CCN(CCCC#N)C[C@H]1C ZINC000247226811 359202061 /nfs/dbraw/zinc/20/20/61/359202061.db2.gz QWRYNIJWVSURLQ-CYBMUJFWSA-N 1 0 239.363 1.333 10 30 BDEERO C=C(C)[C@H]([NH3+])c1c(Br)nnn1C ZINC000306258281 359474950 /nfs/dbraw/zinc/47/49/50/359474950.db2.gz ZYCNTDZZSXLOHT-YFKPBYRVSA-N 1 0 231.097 1.154 10 30 BDEERO C=C(Br)CNc1c[nH+]ccc1N ZINC000306368345 359698614 /nfs/dbraw/zinc/69/86/14/359698614.db2.gz JSKYLXDACSVUSU-UHFFFAOYSA-N 1 0 228.093 1.984 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C#N ZINC000092630788 360186957 /nfs/dbraw/zinc/18/69/57/360186957.db2.gz GBQMWJGJAONTHA-NSHDSACASA-N 1 0 237.347 1.479 10 30 BDEERO CO[C@@H]1CCC[C@@H]1[NH+]1CCC(C=O)CC1 ZINC000306522864 360365130 /nfs/dbraw/zinc/36/51/30/360365130.db2.gz QQPMTOJZGAPCKQ-NWDGAFQWSA-N 1 0 211.305 1.465 10 30 BDEERO N#C[C@@]1(NCc2cccs2)CC[NH2+]C1 ZINC000306563800 360440957 /nfs/dbraw/zinc/44/09/57/360440957.db2.gz DICAJRABHDBMPN-JTQLQIEISA-N 1 0 207.302 1.093 10 30 BDEERO CC(C)(C)C#CCC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000300751556 360454895 /nfs/dbraw/zinc/45/48/95/360454895.db2.gz LGYKNGDFMXRNHS-MNOVXSKESA-N 1 0 205.301 1.899 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@H](CO)c1ccccc1 ZINC000309528500 491150012 /nfs/dbraw/zinc/15/00/12/491150012.db2.gz BLNPIJHNOORYOM-QWHCGFSZSA-N 1 0 221.300 1.247 10 30 BDEERO N#Cc1cc(OC(F)(F)F)ncc1C[NH3+] ZINC000238570225 361154717 /nfs/dbraw/zinc/15/47/17/361154717.db2.gz OBWFTNPGRHLOGK-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1cnc(OC(F)(F)F)cc1C[NH3+] ZINC000238675689 361176424 /nfs/dbraw/zinc/17/64/24/361176424.db2.gz PGUTUGUKTKPRRS-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1ccc(C[NH3+])nc1OC(F)(F)F ZINC000238677096 361177132 /nfs/dbraw/zinc/17/71/32/361177132.db2.gz IDXVJYAESMPHID-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1cccc(C[NH3+])c1Br ZINC000238683792 361178817 /nfs/dbraw/zinc/17/88/17/361178817.db2.gz CNQYEOXWLBDLGE-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO C=CCCCN(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000158814873 361212479 /nfs/dbraw/zinc/21/24/79/361212479.db2.gz HOUYTJXKLHECHD-WDEREUQCSA-N 1 0 210.321 1.267 10 30 BDEERO C[C@H](CCC#N)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000429695405 201127945 /nfs/dbraw/zinc/12/79/45/201127945.db2.gz HMGBDTFCKBTXSF-NEPJUHHUSA-N 1 0 207.321 1.459 10 30 BDEERO C=C[C@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000139193156 361587488 /nfs/dbraw/zinc/58/74/88/361587488.db2.gz JHSOKBQGZOVJDH-VIFPVBQESA-N 1 0 226.320 1.770 10 30 BDEERO CC#CCCN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000155463852 201334401 /nfs/dbraw/zinc/33/44/01/201334401.db2.gz KCMTUVSBHXJYBM-CQSZACIVSA-N 1 0 238.375 1.442 10 30 BDEERO [NH3+]CC#Cc1cccc(OCCn2ccnc2)c1 ZINC000049610073 181346197 /nfs/dbraw/zinc/34/61/97/181346197.db2.gz XVFDEYPBIZMARS-UHFFFAOYSA-N 1 0 241.294 1.272 10 30 BDEERO [NH3+]CC#Cc1cccc(NC(=O)C2CC2)c1 ZINC000037471192 181346849 /nfs/dbraw/zinc/34/68/49/181346849.db2.gz VDMHLHVEWHTWTB-UHFFFAOYSA-N 1 0 214.268 1.345 10 30 BDEERO [NH3+]CC#Cc1ccccc1COC[C@H]1CCCO1 ZINC000049610786 181346931 /nfs/dbraw/zinc/34/69/31/181346931.db2.gz FFNFPLOYFZIYFX-OAHLLOKOSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1ccccc1OC[C@@H]1CCOC1 ZINC000049689762 181348151 /nfs/dbraw/zinc/34/81/51/181348151.db2.gz QSODHXFCDIMRGI-GFCCVEGCSA-N 1 0 231.295 1.412 10 30 BDEERO CC[NH+]1CCN(CC2(C#N)CCC2)CC1 ZINC000258768718 370850136 /nfs/dbraw/zinc/85/01/36/370850136.db2.gz YPPJPVHFUFNFNI-UHFFFAOYSA-N 1 0 207.321 1.318 10 30 BDEERO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]1C ZINC000383217650 367606526 /nfs/dbraw/zinc/60/65/26/367606526.db2.gz YPVLUJIWRJRCKI-OLZOCXBDSA-N 1 0 236.359 1.494 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@H](C)O1 ZINC000384516228 367695817 /nfs/dbraw/zinc/69/58/17/367695817.db2.gz AGCZEGXVBVELKL-ROHXPCBUSA-N 1 0 208.305 1.834 10 30 BDEERO CC[C@@H]1CN(c2nc(C)ccc2C#N)CC[C@@H]1[NH3+] ZINC000122940080 368966912 /nfs/dbraw/zinc/96/69/12/368966912.db2.gz SSHFYSNQQMYIAE-YPMHNXCESA-N 1 0 244.342 1.825 10 30 BDEERO CC[NH2+][C@H](C)CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000387652573 369000440 /nfs/dbraw/zinc/00/04/40/369000440.db2.gz KYAKEDNPNLNXCK-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO CC[NH2+][C@H](C)CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000387646811 368991310 /nfs/dbraw/zinc/99/13/10/368991310.db2.gz JPJCTMQCSQRXNY-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO N#Cc1cnccc1N1CCCCC[C@H]([NH3+])C1 ZINC000600958291 369577712 /nfs/dbraw/zinc/57/77/12/369577712.db2.gz FFRHNRLXVWZNEO-LBPRGKRZSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)ccn1 ZINC000600957392 369577724 /nfs/dbraw/zinc/57/77/24/369577724.db2.gz PQHOSRICRMDXLD-WCBMZHEXSA-N 1 0 202.261 1.116 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)nc1 ZINC000600957042 369578432 /nfs/dbraw/zinc/57/84/32/369578432.db2.gz KFCJSKAGRSNLLI-GZMMTYOYSA-N 1 0 202.261 1.116 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000600956364 369578558 /nfs/dbraw/zinc/57/85/58/369578558.db2.gz ARRQYTAEEUPGFR-WCBMZHEXSA-N 1 0 246.270 1.629 10 30 BDEERO Cc1nc(N2C[C@H]([NH3+])C[C@H]2C)ccc1C#N ZINC000600963058 369579194 /nfs/dbraw/zinc/57/91/94/369579194.db2.gz QSASGEJWOIMQHA-LDYMZIIASA-N 1 0 216.288 1.188 10 30 BDEERO N#Cc1ccncc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962573 369580197 /nfs/dbraw/zinc/58/01/97/369580197.db2.gz GWTZFMAZLYIVJG-UMSPYCQHSA-N 1 0 230.315 1.883 10 30 BDEERO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)cc(C#N)n1 ZINC000600962794 369581498 /nfs/dbraw/zinc/58/14/98/369581498.db2.gz MJJRXLZQTLUCJC-UWVGGRQHSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600962781 369582280 /nfs/dbraw/zinc/58/22/80/369582280.db2.gz MCZATNDRWKGVDE-WPRPVWTQSA-N 1 0 246.270 1.392 10 30 BDEERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251245636 369746138 /nfs/dbraw/zinc/74/61/38/369746138.db2.gz JJCMZRDKYPCPDO-SRVKXCTJSA-N 1 0 210.321 1.819 10 30 BDEERO C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602592769 369823959 /nfs/dbraw/zinc/82/39/59/369823959.db2.gz INVIQNZPYWIUEP-ZWNOBZJWSA-N 1 0 243.310 1.225 10 30 BDEERO N#Cc1cc(NCC2CC[NH2+]CC2)ccn1 ZINC000061812527 369858256 /nfs/dbraw/zinc/85/82/56/369858256.db2.gz RBISTQKRHZHGMR-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO C[C@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000111302503 370125270 /nfs/dbraw/zinc/12/52/70/370125270.db2.gz NWLPDIZFQZFSEO-VIFPVBQESA-N 1 0 230.315 1.591 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000390264885 371193046 /nfs/dbraw/zinc/19/30/46/371193046.db2.gz PKWAPORAPHFGBI-NWDGAFQWSA-N 1 0 237.347 1.527 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnccn1 ZINC000389941917 371183706 /nfs/dbraw/zinc/18/37/06/371183706.db2.gz LQXKLPPMVIZZEH-AAEUAGOBSA-N 1 0 230.315 1.691 10 30 BDEERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)C#Cc1ccccc1 ZINC000038049181 181641138 /nfs/dbraw/zinc/64/11/38/181641138.db2.gz JQKIHKDHMNNFIM-KBPBESRZSA-N 1 0 242.322 1.424 10 30 BDEERO N#Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092461 371543973 /nfs/dbraw/zinc/54/39/73/371543973.db2.gz ZTQZTNUEHYDMGM-WDEREUQCSA-N 1 0 229.283 1.624 10 30 BDEERO C#C[C@H]([NH2+]C)[C@H]1SCCS[C@@H]1CC ZINC000228159104 371998700 /nfs/dbraw/zinc/99/87/00/371998700.db2.gz JKFJOIQHSZWWNP-IVZWLZJFSA-N 1 0 215.387 1.835 10 30 BDEERO CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000217874955 372022577 /nfs/dbraw/zinc/02/25/77/372022577.db2.gz CIIPMDOWIZICCM-GRYCIOLGSA-N 1 0 210.321 1.819 10 30 BDEERO CC1(C)CCN(CCS)CC[S@@]1=O ZINC000306479306 372023980 /nfs/dbraw/zinc/02/39/80/372023980.db2.gz IAKUQBJHAHZURF-ZDUSSCGKSA-N 1 0 221.391 1.149 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccnc(C#N)c1 ZINC000133641803 372085088 /nfs/dbraw/zinc/08/50/88/372085088.db2.gz KMYPOPKMWQWBID-ZDUSSCGKSA-N 1 0 232.331 1.763 10 30 BDEERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C#N)c1 ZINC000229585339 372169460 /nfs/dbraw/zinc/16/94/60/372169460.db2.gz OKFCVPURKCBEDR-GXFFZTMASA-N 1 0 243.310 1.429 10 30 BDEERO OCC[NH2+][C@H]1CCCCCC/C1=N/O ZINC000033696937 183079808 /nfs/dbraw/zinc/07/98/08/183079808.db2.gz LXCSLIWQHWOFRH-ZJVCQKQLSA-N 1 0 200.282 1.121 10 30 BDEERO CCCN(C)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000037572362 169059339 /nfs/dbraw/zinc/05/93/39/169059339.db2.gz ZPRTYQDZDBNXGB-UHFFFAOYSA-N 1 0 248.301 1.618 10 30 BDEERO CCC[N@H+](CCO)[C@@H]1CCCC[C@@H]1C#N ZINC000042452718 169167960 /nfs/dbraw/zinc/16/79/60/169167960.db2.gz NWCUHUNXUNLBQR-VXGBXAGGSA-N 1 0 210.321 1.773 10 30 BDEERO N#Cc1cc(F)ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089709892 383990926 /nfs/dbraw/zinc/99/09/26/383990926.db2.gz YSMIBPUPCBGBKV-CYBMUJFWSA-N 1 0 245.301 1.982 10 30 BDEERO CC(C)(C)OC(=O)[C@@H]1CCC[C@@]1([NH3+])C=O ZINC000091368748 384122896 /nfs/dbraw/zinc/12/28/96/384122896.db2.gz HXISAKDBCXECSZ-GZMMTYOYSA-N 1 0 213.277 1.025 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335587902 384352425 /nfs/dbraw/zinc/35/24/25/384352425.db2.gz AEPITFKEEDOKTO-IUODEOHRSA-N 1 0 244.338 1.955 10 30 BDEERO SCC[NH2+]CCCO[C@H]1CCCCO1 ZINC000096328044 384453677 /nfs/dbraw/zinc/45/36/77/384453677.db2.gz XACBEVXKBXRBCB-JTQLQIEISA-N 1 0 219.350 1.439 10 30 BDEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249987742 384530774 /nfs/dbraw/zinc/53/07/74/384530774.db2.gz ZKJLVBWXQAWKBQ-HBNTYKKESA-N 1 0 225.336 1.210 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cn1 ZINC000320639925 384779878 /nfs/dbraw/zinc/77/98/78/384779878.db2.gz DNZVQTJXCSRKSC-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320682426 384790597 /nfs/dbraw/zinc/79/05/97/384790597.db2.gz LLRPGFANXCYBBS-YUMQZZPRSA-N 1 0 219.292 1.194 10 30 BDEERO CN(c1ncccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000082500107 385287880 /nfs/dbraw/zinc/28/78/80/385287880.db2.gz KURKYDMGCIKVSF-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO COCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000309088912 385412612 /nfs/dbraw/zinc/41/26/12/385412612.db2.gz CQIXBTCHFTYFMZ-QWRGUYRKSA-N 1 0 210.321 1.941 10 30 BDEERO CO[C@@H]1CC[C@@H](c2ccc(C#N)cc2)[NH2+]C1 ZINC000584599207 385470708 /nfs/dbraw/zinc/47/07/08/385470708.db2.gz UGNSEYXOGNAMLX-OLZOCXBDSA-N 1 0 216.284 1.998 10 30 BDEERO C[C@@H]1C[N@@H+](CC[C@@H]2CO2)C[C@H](C)S1 ZINC000307058399 385884522 /nfs/dbraw/zinc/88/45/22/385884522.db2.gz FXXWZDNWNPXQOX-KXUCPTDWSA-N 1 0 201.335 1.601 10 30 BDEERO CN(CC1CC[NH+](C)CC1)c1nccc(C#N)n1 ZINC000231901333 385874939 /nfs/dbraw/zinc/87/49/39/385874939.db2.gz HHPKCPRIUNYEJP-UHFFFAOYSA-N 1 0 245.330 1.126 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nccc(C#N)n1 ZINC000231903630 385878640 /nfs/dbraw/zinc/87/86/40/385878640.db2.gz QGCFBVQTIPKUJK-CMPLNLGQSA-N 1 0 243.314 1.021 10 30 BDEERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c(C#N)cn1 ZINC000398981929 386319461 /nfs/dbraw/zinc/31/94/61/386319461.db2.gz FMWRONXDUMAGEC-CYBMUJFWSA-N 1 0 230.315 1.437 10 30 BDEERO C=CCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000310015710 134497306 /nfs/dbraw/zinc/49/73/06/134497306.db2.gz KVCBMDIQLPOXMI-WOPDTQHZSA-N 1 0 224.348 1.988 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000399198788 386450778 /nfs/dbraw/zinc/45/07/78/386450778.db2.gz MSJOOZBWMLTLDP-FZMZJTMJSA-N 1 0 230.311 1.903 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123772588 386571549 /nfs/dbraw/zinc/57/15/49/386571549.db2.gz XHHZBRMFJWTCTN-GRYCIOLGSA-N 1 0 215.300 1.201 10 30 BDEERO C#CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575451291 386799061 /nfs/dbraw/zinc/79/90/61/386799061.db2.gz SFUPMQBSFDUPMB-OCCSQVGLSA-N 1 0 242.322 1.399 10 30 BDEERO N#CCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398748650 386984072 /nfs/dbraw/zinc/98/40/72/386984072.db2.gz UVFITEQYRQMOQX-XQQFMLRXSA-N 1 0 222.332 1.773 10 30 BDEERO N#CCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398689906 386950287 /nfs/dbraw/zinc/95/02/87/386950287.db2.gz BWOIWYXAJUISON-TUAOUCFPSA-N 1 0 208.305 1.383 10 30 BDEERO C[C@H]1C[NH2+]CC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495990 387314945 /nfs/dbraw/zinc/31/49/45/387314945.db2.gz CITFZUNAEOPEBA-CABZTGNLSA-N 1 0 239.319 1.403 10 30 BDEERO C[C@H]1CNC[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496655 387336961 /nfs/dbraw/zinc/33/69/61/387336961.db2.gz NNDNMTPDJNBVAA-BXKDBHETSA-N 1 0 239.319 1.403 10 30 BDEERO C[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337459 387597281 /nfs/dbraw/zinc/59/72/81/387597281.db2.gz MKKWSRRRGJPRIG-LURJTMIESA-N 1 0 244.220 1.731 10 30 BDEERO CC[NH+](CC)CCN(CCS)CCS ZINC000019370122 387899646 /nfs/dbraw/zinc/89/96/46/387899646.db2.gz SQCRCKFOMCLOGC-UHFFFAOYSA-N 1 0 236.450 1.490 10 30 BDEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)C#N ZINC000083704102 388059338 /nfs/dbraw/zinc/05/93/38/388059338.db2.gz LEHLIVJIGSJBRS-NWDGAFQWSA-N 1 0 249.358 1.621 10 30 BDEERO C=CC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000645963852 388092296 /nfs/dbraw/zinc/09/22/96/388092296.db2.gz XZSWIJIGGOQPLY-LBPRGKRZSA-N 1 0 224.348 1.784 10 30 BDEERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000132014749 388355212 /nfs/dbraw/zinc/35/52/12/388355212.db2.gz WIIMBZYZQFXZTF-KCJUWKMLSA-N 1 0 206.245 1.418 10 30 BDEERO N#Cc1cc(C[N@H+]2CC[C@@H](CCO)C2)ccc1F ZINC000229751024 388397555 /nfs/dbraw/zinc/39/75/55/388397555.db2.gz SBEHWVIGKSTXES-NSHDSACASA-N 1 0 248.301 1.902 10 30 BDEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000596026054 388400707 /nfs/dbraw/zinc/40/07/07/388400707.db2.gz BQLMKLFJXHPPPZ-UHFFFAOYSA-N 1 0 213.284 1.722 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)o1 ZINC000245782644 388431936 /nfs/dbraw/zinc/43/19/36/388431936.db2.gz UNEGAKGKBNTLDO-RYUDHWBXSA-N 1 0 245.326 1.820 10 30 BDEERO Cc1cc(N2CCC(C[NH3+])CC2)cc(C#N)n1 ZINC000308237706 388658506 /nfs/dbraw/zinc/65/85/06/388658506.db2.gz IDTPYPVFKKMCBO-UHFFFAOYSA-N 1 0 230.315 1.437 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000062965527 388658782 /nfs/dbraw/zinc/65/87/82/388658782.db2.gz AFOUABZBWFFXOI-CQSZACIVSA-N 1 0 229.327 1.694 10 30 BDEERO N#Cc1csc(C[NH2+]CC2CC(O)C2)c1 ZINC000086573785 388690017 /nfs/dbraw/zinc/69/00/17/388690017.db2.gz QTEJHNPSEJGZRI-UHFFFAOYSA-N 1 0 222.313 1.480 10 30 BDEERO C=C[C@](C)(CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248868814 388696679 /nfs/dbraw/zinc/69/66/79/388696679.db2.gz BIBMQOBFBWRRKH-GXTWGEPZSA-N 1 0 236.359 1.895 10 30 BDEERO C#C[C@@H](CC)NC(=[NH2+])Nc1ccccc1COC ZINC000262487326 533236088 /nfs/dbraw/zinc/23/60/88/533236088.db2.gz FNAJDHMLHGATQB-LBPRGKRZSA-N 1 0 245.326 1.971 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CCCCN1c1nccnc1C#N ZINC000063196702 132389710 /nfs/dbraw/zinc/38/97/10/132389710.db2.gz RHHGHQIJXTZMQR-ONGXEEELSA-N 1 0 231.303 1.054 10 30 BDEERO C=CCOCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000304268970 134237245 /nfs/dbraw/zinc/23/72/45/134237245.db2.gz VJQAQRIRWONYFV-CHWSQXEVSA-N 1 0 224.348 1.358 10 30 BDEERO CCNC(=[NH2+])N[C@@H](C)COCc1ccccc1 ZINC000179061360 134314485 /nfs/dbraw/zinc/31/44/85/134314485.db2.gz PRFWWPQWRBQBPZ-NSHDSACASA-N 1 0 235.331 1.516 10 30 BDEERO C=CC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188549397 134528238 /nfs/dbraw/zinc/52/82/38/134528238.db2.gz SAHDDFRDWUXJOM-WDEREUQCSA-N 1 0 226.295 1.111 10 30 BDEERO Cc1ccc(C#N)c(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070010802 134906384 /nfs/dbraw/zinc/90/63/84/134906384.db2.gz FSPJSYCASMJBNL-LLVKDONJSA-N 1 0 218.304 1.657 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000070447857 134918951 /nfs/dbraw/zinc/91/89/51/134918951.db2.gz ABENHCHFZDASNU-JTQLQIEISA-N 1 0 248.286 1.862 10 30 BDEERO N#CCC[C@H](C#N)CN1CCC[N@@H+](C2CC2)CC1 ZINC000246646954 134957466 /nfs/dbraw/zinc/95/74/66/134957466.db2.gz YPPICZANBXAXFC-CYBMUJFWSA-N 1 0 246.358 1.600 10 30 BDEERO CC#CCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248401190 135006248 /nfs/dbraw/zinc/00/62/48/135006248.db2.gz YYVUMMJBOZABJL-KBPBESRZSA-N 1 0 236.359 1.052 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cnc(C#N)cn1 ZINC000251708486 135074558 /nfs/dbraw/zinc/07/45/58/135074558.db2.gz JHMOIYRYRBIYOI-PWSUYJOCSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@@H]1CCN(c2ccc(C#N)nc2)[C@H](C[NH3+])C1 ZINC000261540339 135179396 /nfs/dbraw/zinc/17/93/96/135179396.db2.gz GFAIPFTZQUOYOP-MFKMUULPSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(C#N)nc(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261579033 135219670 /nfs/dbraw/zinc/21/96/70/135219670.db2.gz PJAWAOZEOGNGBC-NSHDSACASA-N 1 0 245.330 1.220 10 30 BDEERO CC#CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000121536608 135223847 /nfs/dbraw/zinc/22/38/47/135223847.db2.gz LPAOMXXDAWXAAA-AWEZNQCLSA-N 1 0 244.338 1.299 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCO1)N[C@H]1CC1(C)C ZINC000261766130 135251828 /nfs/dbraw/zinc/25/18/28/135251828.db2.gz NNTSUTMALGPGQZ-GWCFXTLKSA-N 1 0 239.363 1.519 10 30 BDEERO C[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1cccn1C ZINC000261962071 135267118 /nfs/dbraw/zinc/26/71/18/135267118.db2.gz KKBCLVNMKNOWCQ-LBPRGKRZSA-N 1 0 248.374 1.831 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262373495 135298011 /nfs/dbraw/zinc/29/80/11/135298011.db2.gz JASBZJBWQJVPQE-SECBINFHSA-N 1 0 223.251 1.136 10 30 BDEERO CC[NH+]=C(NCC(C)C)NC[C@@H]1CCC[C@@H]1O ZINC000262485549 135301999 /nfs/dbraw/zinc/30/19/99/135301999.db2.gz YAVJPMANMMGPLM-RYUDHWBXSA-N 1 0 241.379 1.359 10 30 BDEERO C[C@H]1CN(C(=[NH2+])NCC2(C(F)F)CC2)CCO1 ZINC000262497603 135302608 /nfs/dbraw/zinc/30/26/08/135302608.db2.gz XDHFSICWTLQRQT-QMMMGPOBSA-N 1 0 247.289 1.067 10 30 BDEERO COC1CCC(C)(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262628753 135309451 /nfs/dbraw/zinc/30/94/51/135309451.db2.gz FCZLTZSXBOYSLC-XSRFYTQQSA-N 1 0 239.363 1.519 10 30 BDEERO CN1CC[NH+]=C1NCC(C)(C)Oc1ccccc1 ZINC000262677792 135312925 /nfs/dbraw/zinc/31/29/25/135312925.db2.gz UPHNJJMPRSORQD-UHFFFAOYSA-N 1 0 247.342 1.735 10 30 BDEERO C=CCOc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263305904 135345933 /nfs/dbraw/zinc/34/59/33/135345933.db2.gz OIZUJIBUVDNLFW-UHFFFAOYSA-N 1 0 246.310 1.087 10 30 BDEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000079812539 135362703 /nfs/dbraw/zinc/36/27/03/135362703.db2.gz AZCDSJPLOSNPEJ-WDEREUQCSA-N 1 0 241.335 1.156 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1ncccc1C#N ZINC000087780004 135512654 /nfs/dbraw/zinc/51/26/54/135512654.db2.gz XABUNQHZWJRTMS-LLVKDONJSA-N 1 0 218.304 1.883 10 30 BDEERO C#CC[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000020303312 166191424 /nfs/dbraw/zinc/19/14/24/166191424.db2.gz AOMOHPCKSAINAS-JTQLQIEISA-N 1 0 202.257 1.236 10 30 BDEERO C#CCOc1ccc(C[NH2+]C[C@@H](C)O)cc1OC ZINC000045946083 166198846 /nfs/dbraw/zinc/19/88/46/166198846.db2.gz AJMGVMBGDJKJJX-LLVKDONJSA-N 1 0 249.310 1.178 10 30 BDEERO C#CCOc1ccccc1C[NH2+]CC(OC)OC ZINC000037388373 166200029 /nfs/dbraw/zinc/20/00/29/166200029.db2.gz CNOYDQOQRBCDAB-UHFFFAOYSA-N 1 0 249.310 1.407 10 30 BDEERO C=CCN(CC=C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102452083 166337385 /nfs/dbraw/zinc/33/73/85/166337385.db2.gz KGOWNCLLEBRIOU-CYBMUJFWSA-N 1 0 243.310 1.817 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccccc1C ZINC000057520880 166372974 /nfs/dbraw/zinc/37/29/74/166372974.db2.gz RWPXHPQBDAHBEI-LBPRGKRZSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000076618900 166374183 /nfs/dbraw/zinc/37/41/83/166374183.db2.gz CEJVNKZMIQCPIH-LLVKDONJSA-N 1 0 236.290 1.560 10 30 BDEERO CC(C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037852125 167006437 /nfs/dbraw/zinc/00/64/37/167006437.db2.gz CZFIZJZHXYWFBJ-CYBMUJFWSA-N 1 0 248.326 1.544 10 30 BDEERO C=CCN(C(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000129162680 411233436 /nfs/dbraw/zinc/23/34/36/411233436.db2.gz BBQGWMTVMOFVTC-NSHDSACASA-N 1 0 210.321 1.537 10 30 BDEERO C=CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)COC ZINC000659340243 411367838 /nfs/dbraw/zinc/36/78/38/411367838.db2.gz ROUBDBDPRDRTQJ-UTUOFQBUSA-N 1 0 240.347 1.163 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000659339031 411398242 /nfs/dbraw/zinc/39/82/42/411398242.db2.gz CDIOOJBGDUWQPS-RYUDHWBXSA-N 1 0 240.347 1.036 10 30 BDEERO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000334578400 170011615 /nfs/dbraw/zinc/01/16/15/170011615.db2.gz JFNWPJHGHDCYPY-CYBMUJFWSA-N 1 0 243.310 1.382 10 30 BDEERO CC[C@@]1(C(=O)Nc2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062889374 171197107 /nfs/dbraw/zinc/19/71/07/171197107.db2.gz CDCAAUIGEXWGJZ-CQSZACIVSA-N 1 0 243.310 1.886 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)CC#N ZINC000038014498 171322766 /nfs/dbraw/zinc/32/27/66/171322766.db2.gz MRQSIFNMHOSAPZ-QWRGUYRKSA-N 1 0 225.336 1.573 10 30 BDEERO CC[C@H](CC#N)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014500 171323430 /nfs/dbraw/zinc/32/34/30/171323430.db2.gz MRQSIFNMHOSAPZ-WDEREUQCSA-N 1 0 225.336 1.573 10 30 BDEERO CC[C@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000037748608 171339923 /nfs/dbraw/zinc/33/99/23/171339923.db2.gz RTSZVFIGEOMDET-NSHDSACASA-N 1 0 245.326 1.563 10 30 BDEERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(C#N)c1 ZINC000038065163 171347674 /nfs/dbraw/zinc/34/76/74/171347674.db2.gz OIUMCJNAHKVPGC-CABZTGNLSA-N 1 0 231.299 1.473 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662858620 412326586 /nfs/dbraw/zinc/32/65/86/412326586.db2.gz ZXJPISQCLNBOOL-TZMCWYRMSA-N 1 0 236.359 1.943 10 30 BDEERO CN(C(=O)CCCC[NH3+])c1ccccc1C#N ZINC000077361297 172304181 /nfs/dbraw/zinc/30/41/81/172304181.db2.gz FAYGPDGFKIOTMM-UHFFFAOYSA-N 1 0 231.299 1.650 10 30 BDEERO C[NH+](C)C(C)(C)CN[C@@H]1CCC[C@H]1C#N ZINC000054827502 172396012 /nfs/dbraw/zinc/39/60/12/172396012.db2.gz YNCSEHVEBNSQBH-WDEREUQCSA-N 1 0 209.337 1.608 10 30 BDEERO CN(CCC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019833533 172665225 /nfs/dbraw/zinc/66/52/25/172665225.db2.gz NCQHFAULKGVYSS-SRVKXCTJSA-N 1 0 235.331 1.279 10 30 BDEERO C[N@@H+]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC000042361714 173022755 /nfs/dbraw/zinc/02/27/55/173022755.db2.gz ZMUDUINIAQZWIT-LLVKDONJSA-N 1 0 216.288 1.459 10 30 BDEERO C[N@@H+]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC000042361709 173046471 /nfs/dbraw/zinc/04/64/71/173046471.db2.gz ZMUDUINIAQZWIT-NSHDSACASA-N 1 0 216.288 1.459 10 30 BDEERO CN1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000042547475 173124278 /nfs/dbraw/zinc/12/42/78/173124278.db2.gz PPHQACKHGMKURY-GFCCVEGCSA-N 1 0 233.290 1.491 10 30 BDEERO C[NH2+]C[C@H](C)Oc1cccc(F)c1C#N ZINC000051867549 173376356 /nfs/dbraw/zinc/37/63/56/173376356.db2.gz HBMINEYIRMAHSG-QMMMGPOBSA-N 1 0 208.236 1.684 10 30 BDEERO COCC[N@H+](CC/C(N)=N/O)CCC(C)(C)C ZINC000071227447 174288743 /nfs/dbraw/zinc/28/87/43/174288743.db2.gz VARCFOWAQBFUME-UHFFFAOYSA-N 1 0 245.367 1.508 10 30 BDEERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054598535 174334153 /nfs/dbraw/zinc/33/41/53/174334153.db2.gz KDLAMWRBYIJGGT-KBPBESRZSA-N 1 0 230.311 1.898 10 30 BDEERO COc1cc([C@@H](C)[NH3+])ccc1OCC#N ZINC000037698442 175013333 /nfs/dbraw/zinc/01/33/33/175013333.db2.gz VRYACOJUVSFFRD-MRVPVSSYSA-N 1 0 206.245 1.617 10 30 BDEERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)CCC#N)cc1 ZINC000042960535 175193859 /nfs/dbraw/zinc/19/38/59/175193859.db2.gz LLXFZLJXPKJYGA-RISCZKNCSA-N 1 0 247.342 1.929 10 30 BDEERO COc1ccccc1[C@@H](C#N)N1CCC[NH2+]CC1 ZINC000037940465 175343813 /nfs/dbraw/zinc/34/38/13/175343813.db2.gz LLFOZZHZGBPMTJ-CYBMUJFWSA-N 1 0 245.326 1.555 10 30 BDEERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CCC#N ZINC000043096992 175349162 /nfs/dbraw/zinc/34/91/62/175349162.db2.gz ODRZCZFEMBBZFN-BXUZGUMPSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H]([NH3+])CC(=O)Nc1cccc(F)c1C#N ZINC000037476375 175803668 /nfs/dbraw/zinc/80/36/68/175803668.db2.gz JBOJOBFMPXYYDS-SSDOTTSWSA-N 1 0 221.235 1.373 10 30 BDEERO C[C@@H]1CCCC[C@@]1(C#N)N1CCC[NH2+]CC1 ZINC000037940394 176083551 /nfs/dbraw/zinc/08/35/51/176083551.db2.gz VHDDDDMYOWAOSZ-OLZOCXBDSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@@H]1CCC[C@@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940406 176132704 /nfs/dbraw/zinc/13/27/04/176132704.db2.gz GBTKTNSJUWRDTQ-CHWSQXEVSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@@H]1CCC[C@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019393404 176151433 /nfs/dbraw/zinc/15/14/33/176151433.db2.gz ITLPYIVYVKYOMV-NEPJUHHUSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@@H]1CN(c2ccnc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251558211 176319525 /nfs/dbraw/zinc/31/95/25/176319525.db2.gz BNRPNQMIJNBYKV-ZWNOBZJWSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(/C(N)=N/O)cc1 ZINC000104415238 176391804 /nfs/dbraw/zinc/39/18/04/176391804.db2.gz JTSUNOXLINMPEW-ZWNOBZJWSA-N 1 0 247.342 1.869 10 30 BDEERO C[C@H]1CCCN1C(=O)c1sccc1C#CC[NH3+] ZINC000104300344 177109586 /nfs/dbraw/zinc/10/95/86/177109586.db2.gz MKOYHPYIMBSGMS-JTQLQIEISA-N 1 0 248.351 1.683 10 30 BDEERO C[C@H]1CCC[N@@H+]1Cc1ccc(/C(N)=N/O)cc1 ZINC000037910986 177110585 /nfs/dbraw/zinc/11/05/85/177110585.db2.gz NDGMPGJWCMNDMA-JTQLQIEISA-N 1 0 233.315 1.765 10 30 BDEERO C[C@H]1CN(Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049608502 177263557 /nfs/dbraw/zinc/26/35/57/177263557.db2.gz XWFIPEYOCRBNAL-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@H]1CN(c2cnccc2C#N)C[C@@H]1[NH+](C)C ZINC000135616975 177277894 /nfs/dbraw/zinc/27/78/94/177277894.db2.gz WVEJMWVQJXHYTF-GWCFXTLKSA-N 1 0 230.315 1.340 10 30 BDEERO C=CCOc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000671659832 487677293 /nfs/dbraw/zinc/67/72/93/487677293.db2.gz RGTMTEJAAPPZDW-CYBMUJFWSA-N 1 0 246.310 1.230 10 30 BDEERO N#CCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398689901 262766059 /nfs/dbraw/zinc/76/60/59/262766059.db2.gz BWOIWYXAJUISON-SDDRHHMPSA-N 1 0 208.305 1.383 10 30 BDEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398759637 262768932 /nfs/dbraw/zinc/76/89/32/262768932.db2.gz GZZXYKWKBISSIO-YNEHKIRRSA-N 1 0 207.317 1.493 10 30 BDEERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123128124 324085340 /nfs/dbraw/zinc/08/53/40/324085340.db2.gz QRCXOELGXVBWIJ-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccc(C#N)c1 ZINC000091425358 325686721 /nfs/dbraw/zinc/68/67/21/325686721.db2.gz HZHLIUAUZYIIGB-PWQPVHBWSA-N 1 0 230.311 1.980 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309040 488043254 /nfs/dbraw/zinc/04/32/54/488043254.db2.gz XDSURBVVINVBNW-NWDGAFQWSA-N 1 0 222.332 1.562 10 30 BDEERO C[C@H]([NH2+]Cc1ccnc(C#N)c1)[C@@H]1CCCO1 ZINC000068752481 488128877 /nfs/dbraw/zinc/12/88/77/488128877.db2.gz AKBBZGSXXFWADN-GWCFXTLKSA-N 1 0 231.299 1.610 10 30 BDEERO COCC#CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000677820418 487518949 /nfs/dbraw/zinc/51/89/49/487518949.db2.gz MRVMIFSBMVKRNA-KBPBESRZSA-N 1 0 237.343 1.263 10 30 BDEERO Cc1cc(N2CCC[NH2+]CC2)cc(C#N)n1 ZINC000308234296 533894376 /nfs/dbraw/zinc/89/43/76/533894376.db2.gz CMWCXSRREGECRB-UHFFFAOYSA-N 1 0 216.288 1.061 10 30 BDEERO CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262283244 536305230 /nfs/dbraw/zinc/30/52/30/536305230.db2.gz WEHXZQMDPFMSRG-IMTBSYHQSA-N 1 0 225.242 1.355 10 30 BDEERO CC#CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000119117557 534707738 /nfs/dbraw/zinc/70/77/38/534707738.db2.gz DSPTZASZUVPFCW-UHFFFAOYSA-N 1 0 244.342 1.401 10 30 BDEERO C=CCCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000393742273 582921809 /nfs/dbraw/zinc/92/18/09/582921809.db2.gz CQDWGUKVEWVXMM-YPMHNXCESA-N 1 0 224.348 1.799 10 30 BDEERO CC[NH+]=C(NCCc1ccco1)N[C@@H]1C[C@H]1C ZINC000115173243 535261893 /nfs/dbraw/zinc/26/18/93/535261893.db2.gz LBOJTNYFDXASGT-ZYHUDNBSSA-N 1 0 235.331 1.786 10 30 BDEERO CC(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000261688069 535299658 /nfs/dbraw/zinc/29/96/58/535299658.db2.gz RIAGMEVYGJKORY-ONGXEEELSA-N 1 0 225.336 1.114 10 30 BDEERO Cc1nc(C(=O)CC#N)sc1CC[NH3+] ZINC000757126983 582502244 /nfs/dbraw/zinc/50/22/44/582502244.db2.gz XBFCTCIHJDLQLT-UHFFFAOYSA-N 1 0 209.274 1.049 10 30 BDEERO C#CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000300395878 583908350 /nfs/dbraw/zinc/90/83/50/583908350.db2.gz MJOHISXTOLHZCN-KGLIPLIRSA-N 1 0 220.360 1.958 10 30 BDEERO C=C(Cl)CN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105914632 588229523 /nfs/dbraw/zinc/22/95/23/588229523.db2.gz YPQKYSRCDQVFRJ-GFCCVEGCSA-N 1 0 246.782 1.782 10 30 BDEERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1[NH3+] ZINC000235363372 632678248 /nfs/dbraw/zinc/67/82/48/632678248.db2.gz CZFMSPGHBJYNCV-KCJUWKMLSA-N 1 0 246.270 1.250 10 30 BDEERO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)O)ccc1C#N ZINC000309977878 632688539 /nfs/dbraw/zinc/68/85/39/632688539.db2.gz UPHFHFKTBNPXLD-WDEREUQCSA-N 1 0 218.300 1.726 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000310271847 632713662 /nfs/dbraw/zinc/71/36/62/632713662.db2.gz IQAAEFXEBCLGDY-MRVPVSSYSA-N 1 0 234.259 1.250 10 30 BDEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000310751912 632936868 /nfs/dbraw/zinc/93/68/68/632936868.db2.gz INOALECXKKLYDY-KWQFWETISA-N 1 0 246.270 1.392 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236499634 632951711 /nfs/dbraw/zinc/95/17/11/632951711.db2.gz NKJGGHMVOGOLCQ-NEPJUHHUSA-N 1 0 210.321 1.821 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236498802 632953131 /nfs/dbraw/zinc/95/31/31/632953131.db2.gz NKJGGHMVOGOLCQ-NWDGAFQWSA-N 1 0 210.321 1.821 10 30 BDEERO C#CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000086903120 636890714 /nfs/dbraw/zinc/89/07/14/636890714.db2.gz VRLWBUSZHXKKFC-GFCCVEGCSA-N 1 0 223.316 1.328 10 30 BDEERO C=C(Cl)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000167939523 640763700 /nfs/dbraw/zinc/76/37/00/640763700.db2.gz AXIIBFSVMSRXSA-VIFPVBQESA-N 1 0 216.712 1.245 10 30 BDEERO C=C(Cl)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000167952223 640767393 /nfs/dbraw/zinc/76/73/93/640767393.db2.gz LWDNQCQEBISWGS-QMMMGPOBSA-N 1 0 204.701 1.229 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000229193619 640931410 /nfs/dbraw/zinc/93/14/10/640931410.db2.gz HVANLRAOYVGZMC-ZWRZFFQRSA-N 1 0 240.372 1.569 10 30 BDEERO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C#N)o1 ZINC000604572340 640986469 /nfs/dbraw/zinc/98/64/69/640986469.db2.gz ZIPZRAZGYVJIKH-SNVBAGLBSA-N 1 0 249.314 1.763 10 30 BDEERO C#CCSCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000231948679 641220605 /nfs/dbraw/zinc/22/06/05/641220605.db2.gz CXFLHRVQSPEKDW-GHMZBOCLSA-N 1 0 213.346 1.246 10 30 BDEERO CC(C)([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000232570445 641302161 /nfs/dbraw/zinc/30/21/61/641302161.db2.gz JJXONEAIZTUZFF-UHFFFAOYSA-N 1 0 230.724 1.817 10 30 BDEERO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000306766622 642347729 /nfs/dbraw/zinc/34/77/29/642347729.db2.gz BNARTDHUJKFMJH-HBNTYKKESA-N 1 0 215.724 1.832 10 30 BDEERO CN(CCC[NH3+])c1nc(Cl)c(C#N)s1 ZINC000234297658 642432193 /nfs/dbraw/zinc/43/21/93/642432193.db2.gz UIEDRQFDVKEKMG-UHFFFAOYSA-N 1 0 230.724 1.453 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000070159510 642979328 /nfs/dbraw/zinc/97/93/28/642979328.db2.gz VVMCLJAIVWNEFL-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO [NH2+]=C(NCC1CCC1)N[C@H]1COc2ccccc21 ZINC000185150393 643268326 /nfs/dbraw/zinc/26/83/26/643268326.db2.gz YPVHQQTUVPPQSP-LBPRGKRZSA-N 1 0 245.326 1.825 10 30 BDEERO [NH2+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CCCCC1 ZINC000089170359 644537875 /nfs/dbraw/zinc/53/78/75/644537875.db2.gz IHPFEDNFMUQKAM-JQWIXIFHSA-N 1 0 239.363 1.384 10 30 BDEERO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1CCCO ZINC000304258228 644882097 /nfs/dbraw/zinc/88/20/97/644882097.db2.gz SMWHTOPLTATNNC-VXGBXAGGSA-N 1 0 226.320 1.152 10 30 BDEERO C#CCCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252727826 644891356 /nfs/dbraw/zinc/89/13/56/644891356.db2.gz QHAQWNIWNUELEA-KGLIPLIRSA-N 1 0 220.360 1.958 10 30 BDEERO Cc1cc(C#N)nc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721986713 711861357 /nfs/dbraw/zinc/86/13/57/711861357.db2.gz ZCJKQIVKHVXKMP-JTQLQIEISA-N 1 0 231.303 1.067 10 30 BDEERO C=C(Cl)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708940021 712203616 /nfs/dbraw/zinc/20/36/16/712203616.db2.gz PYYWQTAJZHCCFT-UWVGGRQHSA-N 1 0 218.728 1.177 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@H]([NH3+])C2)c(F)c1 ZINC000715066783 712505672 /nfs/dbraw/zinc/50/56/72/712505672.db2.gz KJUHJBGANYCDEE-MGCOHNPYSA-N 1 0 219.263 1.847 10 30 BDEERO C[C@@H](CC(C)(C)C#N)[NH2+]C1CC(C(N)=O)C1 ZINC000716754629 712572581 /nfs/dbraw/zinc/57/25/81/712572581.db2.gz IPHISNBSDALAIT-IDKOKCKLSA-N 1 0 223.320 1.168 10 30 BDEERO CC1(C)CN(c2cc(C#N)ccn2)C[C@@H]1[NH3+] ZINC000720749114 712863778 /nfs/dbraw/zinc/86/37/78/712863778.db2.gz TVCAKMAQDFRQDA-JTQLQIEISA-N 1 0 216.288 1.127 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000723673079 711533153 /nfs/dbraw/zinc/53/31/53/711533153.db2.gz WBHGYXHEZXXEIT-GFCCVEGCSA-N 1 0 244.342 1.745 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723901943 711544828 /nfs/dbraw/zinc/54/48/28/711544828.db2.gz UJNJXTPJQPRZEN-ZWNOBZJWSA-N 1 0 244.342 1.683 10 30 BDEERO C#C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(C)C ZINC000701090932 712014783 /nfs/dbraw/zinc/01/47/83/712014783.db2.gz QMXGUTSBGIESOJ-RWMBFGLXSA-N 1 0 207.317 1.801 10 30 BDEERO C#C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(C)C ZINC000701090927 712014882 /nfs/dbraw/zinc/01/48/82/712014882.db2.gz QMXGUTSBGIESOJ-FRRDWIJNSA-N 1 0 207.317 1.801 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1nc(Cl)c(C#N)s1 ZINC000702669073 712059380 /nfs/dbraw/zinc/05/93/80/712059380.db2.gz HZEIYBNINYBZNS-WDSKDSINSA-N 1 0 242.735 1.594 10 30 BDEERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000708728614 712198047 /nfs/dbraw/zinc/19/80/47/712198047.db2.gz POTWRORQORRWFM-YFKTTZPYSA-N 1 0 208.305 1.693 10 30 BDEERO CN(c1cnc(C#N)cn1)C1(C[NH3+])CCCCC1 ZINC000713299208 712458553 /nfs/dbraw/zinc/45/85/53/712458553.db2.gz UKKXJLJNPIAGHK-UHFFFAOYSA-N 1 0 245.330 1.446 10 30 BDEERO Cc1ccnc(NCC2CC([NH3+])C2)c1C#N ZINC000715113767 712509860 /nfs/dbraw/zinc/50/98/60/712509860.db2.gz LPHHDDUIUQVUDK-UHFFFAOYSA-N 1 0 216.288 1.411 10 30 BDEERO C#CC[C@@H](COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000716338947 712555548 /nfs/dbraw/zinc/55/55/48/712555548.db2.gz BDTSQXTZWGXBPQ-WDEREUQCSA-N 1 0 213.321 1.021 10 30 BDEERO N#CCCNC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000717856864 712603287 /nfs/dbraw/zinc/60/32/87/712603287.db2.gz CSEFUKDWTUOGQJ-UHFFFAOYSA-N 1 0 235.331 1.329 10 30 BDEERO C=CCC1(O)CC[NH+]([C@H]2CCOC2)CC1 ZINC000717493692 712659838 /nfs/dbraw/zinc/65/98/38/712659838.db2.gz GWBBABQCMDIRBD-NSHDSACASA-N 1 0 211.305 1.178 10 30 BDEERO C[NH2+]CCN(c1cc(C#N)ccn1)C(C)C ZINC000720801369 712866593 /nfs/dbraw/zinc/86/65/93/712866593.db2.gz SKCGJGAPECDVGJ-UHFFFAOYSA-N 1 0 218.304 1.387 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H]([NH3+])C(C)(C)C2)n1 ZINC000720820067 712868112 /nfs/dbraw/zinc/86/81/12/712868112.db2.gz SWJSEYVFHNUDGU-NSHDSACASA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)cc(C#N)n1 ZINC000721112230 712890796 /nfs/dbraw/zinc/89/07/96/712890796.db2.gz GVSDGCFRUQPIQS-ZYHUDNBSSA-N 1 0 244.342 1.919 10 30 BDEERO CC(C)C[C@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685954310 538899344 /nfs/dbraw/zinc/89/93/44/538899344.db2.gz VAAJCKHOABVSRG-SNVBAGLBSA-N 1 0 211.305 1.705 10 30 BDEERO C=CCCC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685962088 538909364 /nfs/dbraw/zinc/90/93/64/538909364.db2.gz UBSUFLYFDHZPBB-CQSZACIVSA-N 1 0 246.354 1.981 10 30 BDEERO C[C@H]1CC[NH2+][C@@H]1C#CC(=O)OC(C)(C)C ZINC000685953233 538897483 /nfs/dbraw/zinc/89/74/83/538897483.db2.gz JUYOXNDLZKBAME-VHSXEESVSA-N 1 0 209.289 1.330 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568704 538938182 /nfs/dbraw/zinc/93/81/82/538938182.db2.gz CRUPULXSTPSCLF-KBPBESRZSA-N 1 0 244.338 1.824 10 30 BDEERO C=CCCOCCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000182816394 136228555 /nfs/dbraw/zinc/22/85/55/136228555.db2.gz NIKYEASSRVVTCE-GHMZBOCLSA-N 1 0 228.336 1.069 10 30 BDEERO Cc1ccc(C#N)c(OC2CC[NH2+]CC2)c1 ZINC000051865678 178366144 /nfs/dbraw/zinc/36/61/44/178366144.db2.gz KCQNHRYENUTVEN-UHFFFAOYSA-N 1 0 216.284 1.998 10 30 BDEERO Cc1ccc(C#N)c(O[C@@H]2CC[NH2+]C2)n1 ZINC000051868752 178366208 /nfs/dbraw/zinc/36/62/08/178366208.db2.gz LFKNDJNZGNYNFE-SNVBAGLBSA-N 1 0 203.245 1.002 10 30 BDEERO CCC(CC)NC(=O)CN(CCC#N)C(C)C ZINC000042530799 168377043 /nfs/dbraw/zinc/37/70/43/168377043.db2.gz RRILEUZCLZELFB-UHFFFAOYSA-N 1 0 239.363 1.915 10 30 BDEERO N#Cc1cc(Br)ccc1NCC[NH3+] ZINC000165298845 342900613 /nfs/dbraw/zinc/90/06/13/342900613.db2.gz BJGAAOUTOCUOBI-UHFFFAOYSA-N 1 0 240.104 1.691 10 30 BDEERO C=CCCCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344736971 365721342 /nfs/dbraw/zinc/72/13/42/365721342.db2.gz ZRHMUWLVCAPIJS-STQMWFEESA-N 1 0 227.348 1.814 10 30 BDEERO Cc1ccnc(N2CC[C@H](C)C[C@H]2C[NH3+])c1C#N ZINC000261551724 136272543 /nfs/dbraw/zinc/27/25/43/136272543.db2.gz WTLCBEUJFSHXRY-JQWIXIFHSA-N 1 0 244.342 1.825 10 30 BDEERO C#CC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000037872143 166188883 /nfs/dbraw/zinc/18/88/83/166188883.db2.gz VATCMPNDPQZXHQ-JTQLQIEISA-N 1 0 211.211 1.221 10 30 BDEERO C[C@@H]1CN(c2ccnc(C#N)c2)C[C@@]1(C)C[NH3+] ZINC000379754161 343617001 /nfs/dbraw/zinc/61/70/01/343617001.db2.gz RCIRLZHCKGZVJN-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO CC[N@H+](CCC#N)C[C@@H]1CCC[C@@H](O)C1 ZINC000379823922 343634587 /nfs/dbraw/zinc/63/45/87/343634587.db2.gz VNSCFQRRRAYCPI-VXGBXAGGSA-N 1 0 210.321 1.773 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019875581 166192630 /nfs/dbraw/zinc/19/26/30/166192630.db2.gz IFXJBHOEKHIZCU-SECBINFHSA-N 1 0 205.257 1.685 10 30 BDEERO C#CCC[C@@H]([NH3+])c1ncncc1Br ZINC000306455315 343782767 /nfs/dbraw/zinc/78/27/67/343782767.db2.gz OFKMYUZKZMMSGY-MRVPVSSYSA-N 1 0 240.104 1.652 10 30 BDEERO C#CCn1cc(C[NH3+])c(-c2ccsc2)n1 ZINC000409436967 343841763 /nfs/dbraw/zinc/84/17/63/343841763.db2.gz CUBWEEJAPFYKFM-UHFFFAOYSA-N 1 0 217.297 1.704 10 30 BDEERO C#CCn1cc(C[NH3+])c(-c2cccs2)n1 ZINC000409438603 343844824 /nfs/dbraw/zinc/84/48/24/343844824.db2.gz MEMVDSIBMCYVMB-UHFFFAOYSA-N 1 0 217.297 1.704 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2cccs2)C1 ZINC000409439751 343848435 /nfs/dbraw/zinc/84/84/35/343848435.db2.gz IEOWVGWKBXDUHH-SECBINFHSA-N 1 0 207.302 1.216 10 30 BDEERO C[C@](C#N)(Cc1ccccc1)NC1C[NH2+]C1 ZINC000409437724 343848945 /nfs/dbraw/zinc/84/89/45/343848945.db2.gz AZICDTLKTAEKMO-CYBMUJFWSA-N 1 0 215.300 1.073 10 30 BDEERO C#CCn1nc(-c2ccncc2)cc1C[NH2+]C ZINC000409444030 343863787 /nfs/dbraw/zinc/86/37/87/343863787.db2.gz ZAUQGGGLSIPKAH-UHFFFAOYSA-N 1 0 226.283 1.298 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000409442736 343864295 /nfs/dbraw/zinc/86/42/95/343864295.db2.gz ZUWMVVBPDIAEOO-LBPRGKRZSA-N 1 0 235.718 1.808 10 30 BDEERO C#CCn1nc(-c2ccsc2)cc1CC[NH3+] ZINC000409443198 343866268 /nfs/dbraw/zinc/86/62/68/343866268.db2.gz IRQHSJIMSIFINW-UHFFFAOYSA-N 1 0 231.324 1.746 10 30 BDEERO C#CCOc1ccc(C[NH2+]C)cc1OCC ZINC000037487714 166198659 /nfs/dbraw/zinc/19/86/59/166198659.db2.gz CFRJDEZITQRHIO-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000307358447 343932909 /nfs/dbraw/zinc/93/29/09/343932909.db2.gz YNHDVFKRYPJRDN-SECBINFHSA-N 1 0 247.180 1.954 10 30 BDEERO C=C(C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616572220 344183018 /nfs/dbraw/zinc/18/30/18/344183018.db2.gz PYPAHSXGZRUVJR-YUMQZZPRSA-N 1 0 236.237 1.301 10 30 BDEERO C[C@@]1(C(=O)C2=COCCC2)CCC[C@@H]1[NH3+] ZINC000135434186 344275133 /nfs/dbraw/zinc/27/51/33/344275133.db2.gz FEKVELUJHAXKLQ-CMPLNLGQSA-N 1 0 209.289 1.767 10 30 BDEERO N#Cc1ccc(C(F)(F)F)nc1NC1C[NH2+]C1 ZINC000094337559 344327900 /nfs/dbraw/zinc/32/79/00/344327900.db2.gz BWTALXGGOHGISN-UHFFFAOYSA-N 1 0 242.204 1.356 10 30 BDEERO C=C(Cl)CNc1ncnc(N)c1Cl ZINC000236360811 344357879 /nfs/dbraw/zinc/35/78/79/344357879.db2.gz NVJMYLOXUCWAGH-UHFFFAOYSA-N 1 0 219.075 1.877 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600862448 344383755 /nfs/dbraw/zinc/38/37/55/344383755.db2.gz BEWQNVDLONMWAE-CABZTGNLSA-N 1 0 230.315 1.814 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CCCO1 ZINC000054825175 344457107 /nfs/dbraw/zinc/45/71/07/344457107.db2.gz RJJUJLLLRSWDCI-IRCOFANPSA-N 1 0 208.305 1.836 10 30 BDEERO C#CC[C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235108276 344788732 /nfs/dbraw/zinc/78/87/32/344788732.db2.gz OAVYOQZOGHUVER-MNOVXSKESA-N 1 0 240.347 1.901 10 30 BDEERO CNC(=[NH2+])Nc1cc(F)cc(F)c1F ZINC000061123224 344857437 /nfs/dbraw/zinc/85/74/37/344857437.db2.gz ANAWADORTYBTPJ-UHFFFAOYSA-N 1 0 203.167 1.270 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cnccc1C#N ZINC000135810811 344896382 /nfs/dbraw/zinc/89/63/82/344896382.db2.gz NINAMNVFYCIIOX-LLVKDONJSA-N 1 0 218.304 1.883 10 30 BDEERO C=CCn1c[nH+]c([C@H]2CCSC2)c1N ZINC000224662420 344966193 /nfs/dbraw/zinc/96/61/93/344966193.db2.gz JAQXLQVIIYMENS-QMMMGPOBSA-N 1 0 209.318 1.872 10 30 BDEERO Cc1cc(C)c(C#N)c(NCC2CC[NH2+]CC2)n1 ZINC000044509205 345097318 /nfs/dbraw/zinc/09/73/18/345097318.db2.gz FELGUSBTYPCCHJ-UHFFFAOYSA-N 1 0 244.342 1.982 10 30 BDEERO C#CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000148213743 345334974 /nfs/dbraw/zinc/33/49/74/345334974.db2.gz YWXOKPPCZQDFNF-GFCCVEGCSA-N 1 0 216.240 1.805 10 30 BDEERO C[C@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000082575395 345440891 /nfs/dbraw/zinc/44/08/91/345440891.db2.gz RVCFOLFSEGPXAH-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000311155119 537919040 /nfs/dbraw/zinc/91/90/40/537919040.db2.gz WZVDKDCVSQWQPS-ZIAGYGMSSA-N 1 0 246.310 1.140 10 30 BDEERO C#C[C@@H]([NH2+]Cc1cnn(C)c1C)C(C)C ZINC000289573560 345918612 /nfs/dbraw/zinc/91/86/12/345918612.db2.gz SSTOFLKBJVUROL-GFCCVEGCSA-N 1 0 205.305 1.476 10 30 BDEERO CC[NH+](CC)CC#CCNc1csc(=O)[nH]1 ZINC000150054093 346167074 /nfs/dbraw/zinc/16/70/74/346167074.db2.gz ZHLFLFHWRMWVMH-UHFFFAOYSA-N 1 0 239.344 1.187 10 30 BDEERO N#Cc1sc(N[C@@H]2CC[NH2+]C2)nc1Cl ZINC000236043480 346186557 /nfs/dbraw/zinc/18/65/57/346186557.db2.gz AYGBSTYUSFPBCY-RXMQYKEDSA-N 1 0 228.708 1.442 10 30 BDEERO COC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)OC ZINC000300383193 346575775 /nfs/dbraw/zinc/57/57/75/346575775.db2.gz WXWIDIJSLDOYPC-WOPDTQHZSA-N 1 0 226.320 1.320 10 30 BDEERO CNC(Nc1ccc(C)c(Cl)c1)=[NH+]N ZINC000164614573 346612869 /nfs/dbraw/zinc/61/28/69/346612869.db2.gz WXOAOONLPXUCOP-UHFFFAOYSA-N 1 0 212.684 1.509 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1cncc(C#N)n1 ZINC000401500730 346751725 /nfs/dbraw/zinc/75/17/25/346751725.db2.gz GVTCWSBEFQFDQP-SECBINFHSA-N 1 0 219.292 1.134 10 30 BDEERO C=C(Cl)CN1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250514031 362807336 /nfs/dbraw/zinc/80/73/36/362807336.db2.gz DSFYIFYJLGIMCV-MNOVXSKESA-N 1 0 214.740 1.955 10 30 BDEERO O=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000250808699 362822009 /nfs/dbraw/zinc/82/20/09/362822009.db2.gz CZRYOLYRHAELBX-VXGBXAGGSA-N 1 0 211.305 1.609 10 30 BDEERO C[C@@H](CS)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251090721 362837098 /nfs/dbraw/zinc/83/70/98/362837098.db2.gz KDCQNNHCFZLYHJ-MNOVXSKESA-N 1 0 214.378 1.332 10 30 BDEERO N#Cc1ccnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000591439985 347661567 /nfs/dbraw/zinc/66/15/67/347661567.db2.gz MGYKZNPXLIEGNF-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO N#CCC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616571560 348200025 /nfs/dbraw/zinc/20/00/25/348200025.db2.gz MAHZPQZDEFBOBC-LLVKDONJSA-N 1 0 235.331 1.410 10 30 BDEERO COC(=O)[C@@H]1CC[C@H](C#C[Si](C)(C)C)[NH2+]C1 ZINC000203784465 348213075 /nfs/dbraw/zinc/21/30/75/348213075.db2.gz FSOOKKHLCZDGTC-GHMZBOCLSA-N 1 0 239.391 1.408 10 30 BDEERO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC=O ZINC000251747585 362905239 /nfs/dbraw/zinc/90/52/39/362905239.db2.gz LDVFOUNGXSOFMW-RYUDHWBXSA-N 1 0 210.321 1.134 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000595982776 348418214 /nfs/dbraw/zinc/41/82/14/348418214.db2.gz XMDFFWCSYVYSAE-WCQYABFASA-N 1 0 235.331 1.138 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1cnccc1C#N ZINC000596029921 348426279 /nfs/dbraw/zinc/42/62/79/348426279.db2.gz DTKXPNQALZDURS-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596031712 348426559 /nfs/dbraw/zinc/42/65/59/348426559.db2.gz DPJGCYZDGWAFCR-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596034180 348427906 /nfs/dbraw/zinc/42/79/06/348427906.db2.gz XHITVKHBFKGOSE-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NCc1cnc2n1CCC2 ZINC000597082803 348658894 /nfs/dbraw/zinc/65/88/94/348658894.db2.gz LFJDTGABKUNTKV-JQWIXIFHSA-N 1 0 230.315 1.611 10 30 BDEERO C=CCN(CC=C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054305730 348979168 /nfs/dbraw/zinc/97/91/68/348979168.db2.gz QSYDISCAGRNOHJ-LBPRGKRZSA-N 1 0 222.332 1.577 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000037817634 166310382 /nfs/dbraw/zinc/31/03/82/166310382.db2.gz RPROAZOODISLCU-LBPRGKRZSA-N 1 0 236.359 1.943 10 30 BDEERO CC(C)(O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000309019357 349304626 /nfs/dbraw/zinc/30/46/26/349304626.db2.gz SUXKOPBFWCEWSN-QWRGUYRKSA-N 1 0 210.321 1.819 10 30 BDEERO Cc1nn(C)c(NC[C@@H]2CCC[NH2+]C2)c1C#N ZINC000104310853 180358042 /nfs/dbraw/zinc/35/80/42/180358042.db2.gz BTBVHLCEHNIWBT-SNVBAGLBSA-N 1 0 233.319 1.012 10 30 BDEERO Cc1nn(C)c(NCC(C)(C)C[NH+](C)C)c1C#N ZINC000070073435 180358833 /nfs/dbraw/zinc/35/88/33/180358833.db2.gz JKVUWYHCVZORHV-UHFFFAOYSA-N 1 0 249.362 1.600 10 30 BDEERO Cc1c(C[NH2+]CC2(CC#N)CC2)cnn1C ZINC000226384039 350425730 /nfs/dbraw/zinc/42/57/30/350425730.db2.gz LMXAPSMIPNJLAC-UHFFFAOYSA-N 1 0 218.304 1.512 10 30 BDEERO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000304222704 350760922 /nfs/dbraw/zinc/76/09/22/350760922.db2.gz NJGWJOAFNOXYFM-NWDGAFQWSA-N 1 0 240.347 1.130 10 30 BDEERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000382450126 350815851 /nfs/dbraw/zinc/81/58/51/350815851.db2.gz DMGRHAVSEYAYFX-JQWIXIFHSA-N 1 0 230.315 1.223 10 30 BDEERO N#Cc1cccnc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382454512 350816039 /nfs/dbraw/zinc/81/60/39/350816039.db2.gz IDHJUCSNJVMMMK-KOLCDFICSA-N 1 0 216.288 1.493 10 30 BDEERO O/N=C/[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000306740555 350913379 /nfs/dbraw/zinc/91/33/79/350913379.db2.gz CFASDABFLKCPEY-PSFHPTBASA-N 1 0 216.284 1.824 10 30 BDEERO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000336688101 350967047 /nfs/dbraw/zinc/96/70/47/350967047.db2.gz UVRACSFFSBRYAR-FVCCEPFGSA-N 1 0 222.332 1.819 10 30 BDEERO CC[N@@H+]1CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000616632121 351110122 /nfs/dbraw/zinc/11/01/22/351110122.db2.gz LXXPZPIVIAYBOE-CYBMUJFWSA-N 1 0 215.300 1.524 10 30 BDEERO CN1CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000616632321 351111192 /nfs/dbraw/zinc/11/11/92/351111192.db2.gz MPQJNNDSIBHBTR-GFCCVEGCSA-N 1 0 201.273 1.134 10 30 BDEERO N/C(=N\O)c1cc(Br)ccc1C[NH3+] ZINC000306814382 351083563 /nfs/dbraw/zinc/08/35/63/351083563.db2.gz BRNOFSUVMYXQQO-UHFFFAOYSA-N 1 0 244.092 1.002 10 30 BDEERO C=CC[C@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000306818718 351086028 /nfs/dbraw/zinc/08/60/28/351086028.db2.gz FPMQYKCMWJJMMZ-SNVBAGLBSA-N 1 0 244.335 1.038 10 30 BDEERO C[N@@H+]1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616686950 351257716 /nfs/dbraw/zinc/25/77/16/351257716.db2.gz MPOPVRXGPNNUHW-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO CC#CCC(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000168236613 351348210 /nfs/dbraw/zinc/34/82/10/351348210.db2.gz NIRPUQHXFGMQPD-YOGCLGLASA-N 1 0 205.301 1.842 10 30 BDEERO CC1(C)C[N@H+](CCS)[C@H]2COC[C@@H]21 ZINC000307017815 351424042 /nfs/dbraw/zinc/42/40/42/351424042.db2.gz WLZMQKXEMUBGAG-IUCAKERBSA-N 1 0 201.335 1.273 10 30 BDEERO C=C(Br)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000307106642 351481934 /nfs/dbraw/zinc/48/19/34/351481934.db2.gz DXHDLWOVZJAHJZ-JTQLQIEISA-N 1 0 245.164 1.580 10 30 BDEERO CNC(N[C@@H]1CCC[C@H]1SC)=[NH+]C ZINC000307210697 351609152 /nfs/dbraw/zinc/60/91/52/351609152.db2.gz MTSUFNKCZZCWDF-HTQZYQBOSA-N 1 0 201.339 1.065 10 30 BDEERO C=CC[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000638471320 352281582 /nfs/dbraw/zinc/28/15/82/352281582.db2.gz CBRQIACCQYOJOF-NWDGAFQWSA-N 1 0 224.348 1.784 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000638471322 352281896 /nfs/dbraw/zinc/28/18/96/352281896.db2.gz CBRQIACCQYOJOF-VXGBXAGGSA-N 1 0 224.348 1.784 10 30 BDEERO CC[C@@]1(C(=O)C2=COCC2)CCC[NH2+]C1 ZINC000307676595 352755960 /nfs/dbraw/zinc/75/59/60/352755960.db2.gz HOKSEMLFCXOPHA-GFCCVEGCSA-N 1 0 209.289 1.640 10 30 BDEERO C[C@H](C[NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000420216433 192177035 /nfs/dbraw/zinc/17/70/35/192177035.db2.gz MQNWUXSIYKQLBO-SNVBAGLBSA-N 1 0 240.310 1.535 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000420214977 192177572 /nfs/dbraw/zinc/17/75/72/192177572.db2.gz JKZHRPURSUBYMQ-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO [NH3+][C@@H]1CC[C@@H](CC(=O)C2=COCCC2)C1 ZINC000306485664 353019281 /nfs/dbraw/zinc/01/92/81/353019281.db2.gz HFJOBLITJAKUSK-MWLCHTKSSA-N 1 0 209.289 1.767 10 30 BDEERO C[C@@H]1c2ccsc2CCN1/C(N)=[NH+]/O ZINC000052834066 353109018 /nfs/dbraw/zinc/10/90/18/353109018.db2.gz DGRTVLQVDFSJQH-ZCFIWIBFSA-N 1 0 211.290 1.371 10 30 BDEERO CC(=[NH2+])NCc1n[nH]cc1Br ZINC000307726118 353113267 /nfs/dbraw/zinc/11/32/67/353113267.db2.gz CUKHRBJXSIJXQR-UHFFFAOYSA-N 1 0 217.070 1.049 10 30 BDEERO C=CC[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000033465346 188060632 /nfs/dbraw/zinc/06/06/32/188060632.db2.gz IOVWVKRQIHZQCV-NSHDSACASA-N 1 0 235.283 1.267 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000033465468 188060957 /nfs/dbraw/zinc/06/09/57/188060957.db2.gz MYIJZTRLYXHQMA-CYBMUJFWSA-N 1 0 235.327 1.819 10 30 BDEERO C#CC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178300527 188081315 /nfs/dbraw/zinc/08/13/15/188081315.db2.gz LSFIZTAQLCDNDM-GFCCVEGCSA-N 1 0 203.289 1.289 10 30 BDEERO CC(C)[C@H]([NH3+])C(=O)Nc1ccccc1C#N ZINC000011959138 188105126 /nfs/dbraw/zinc/10/51/26/188105126.db2.gz LGVDYHVDSKTITO-NSHDSACASA-N 1 0 217.272 1.480 10 30 BDEERO N#C[C@@H](c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000019389003 188107181 /nfs/dbraw/zinc/10/71/81/188107181.db2.gz BEHLEOWFLDACBW-LBPRGKRZSA-N 1 0 235.718 1.810 10 30 BDEERO N#CCCNC(=O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000035180626 188111825 /nfs/dbraw/zinc/11/18/25/188111825.db2.gz POPBFOKNXDULTM-CYBMUJFWSA-N 1 0 243.310 1.293 10 30 BDEERO N#Cc1ccnc(S[C@H]2CC[NH2+]C2)c1 ZINC000095072088 188145467 /nfs/dbraw/zinc/14/54/67/188145467.db2.gz KARNLNLRXXECQB-VIFPVBQESA-N 1 0 205.286 1.407 10 30 BDEERO N#CCc1ccc(OCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000061710403 188128546 /nfs/dbraw/zinc/12/85/46/188128546.db2.gz CVVSOAKHGDBFCB-ZDUSSCGKSA-N 1 0 246.310 1.198 10 30 BDEERO CC#CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000051664457 188156770 /nfs/dbraw/zinc/15/67/70/188156770.db2.gz IFTUNFHAHLJWGI-OLZOCXBDSA-N 1 0 206.333 1.474 10 30 BDEERO C#CC[N@@H+](C)[C@@H](C)Cc1cccc(O)c1 ZINC000013492361 188166253 /nfs/dbraw/zinc/16/62/53/188166253.db2.gz RMJOYWZEWBHBGZ-NSHDSACASA-N 1 0 203.285 1.888 10 30 BDEERO CC(C)(CO)[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054825061 188178648 /nfs/dbraw/zinc/17/86/48/188178648.db2.gz LFRBAEJEEYBUIP-GHMZBOCLSA-N 1 0 210.321 1.819 10 30 BDEERO C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH3+] ZINC000083592113 188180580 /nfs/dbraw/zinc/18/05/80/188180580.db2.gz YDSLABNSRDLKFY-IUCAKERBSA-N 1 0 212.293 1.250 10 30 BDEERO C=CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)C ZINC000028756046 188181302 /nfs/dbraw/zinc/18/13/02/188181302.db2.gz HVMJRHXMZGEWMD-SNVBAGLBSA-N 1 0 215.337 1.717 10 30 BDEERO C=CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000054400852 188222226 /nfs/dbraw/zinc/22/22/26/188222226.db2.gz GXKWDGZVPRKEEP-NWDGAFQWSA-N 1 0 222.332 1.553 10 30 BDEERO C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070502688 188220053 /nfs/dbraw/zinc/22/00/53/188220053.db2.gz HEZAGAZCFKDNGQ-VXGBXAGGSA-N 1 0 224.348 1.929 10 30 BDEERO C[C@]1(CNc2ccncc2C#N)CCC[NH2+]C1 ZINC000399010015 353588933 /nfs/dbraw/zinc/58/89/33/353588933.db2.gz WYTHUVBKGVPMOT-ZDUSSCGKSA-N 1 0 230.315 1.177 10 30 BDEERO C[C@@H](Nc1ccncc1C#N)[C@H]1CCC[NH2+]C1 ZINC000399061811 353762822 /nfs/dbraw/zinc/76/28/22/353762822.db2.gz ZCGQLXLUVNRHPS-MNOVXSKESA-N 1 0 230.315 1.175 10 30 BDEERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000399057822 353745340 /nfs/dbraw/zinc/74/53/40/353745340.db2.gz KSPPTPLCOAYZEX-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO N#CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079683 181036206 /nfs/dbraw/zinc/03/62/06/181036206.db2.gz SAQKURPPKHDKAC-GFCCVEGCSA-N 1 0 207.321 1.460 10 30 BDEERO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCC[NH2+]1 ZINC000037824410 181037715 /nfs/dbraw/zinc/03/77/15/181037715.db2.gz PMOJIZPTNQYCTE-GFCCVEGCSA-N 1 0 247.298 1.274 10 30 BDEERO N#C[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000019268483 181066863 /nfs/dbraw/zinc/06/68/63/181066863.db2.gz SSVJEACHUGJDGJ-GFCCVEGCSA-N 1 0 219.263 1.296 10 30 BDEERO N#C[C@@H](c1ccc(F)cc1)N1CCC[NH2+]CC1 ZINC000037940489 181057858 /nfs/dbraw/zinc/05/78/58/181057858.db2.gz RURRGMLHSJRQSQ-ZDUSSCGKSA-N 1 0 233.290 1.686 10 30 BDEERO N#Cc1c(Cl)cccc1N[C@H]1C[C@@H]1[NH3+] ZINC000052905665 181073777 /nfs/dbraw/zinc/07/37/77/181073777.db2.gz YYPHIWZTLIIZGZ-WPRPVWTQSA-N 1 0 207.664 1.723 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000054826390 181067817 /nfs/dbraw/zinc/06/78/17/181067817.db2.gz XCORIUIFWXNTHW-NEPJUHHUSA-N 1 0 218.304 1.555 10 30 BDEERO N#Cc1ccc(C[N@H+]2CC[C@@H](CCO)C2)cc1F ZINC000361827476 181106066 /nfs/dbraw/zinc/10/60/66/181106066.db2.gz CKHYFFRKPUYVMP-NSHDSACASA-N 1 0 248.301 1.902 10 30 BDEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000019408496 181118572 /nfs/dbraw/zinc/11/85/72/181118572.db2.gz JAVXSKHEYSQNIX-LLVKDONJSA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051871201 181127361 /nfs/dbraw/zinc/12/73/61/181127361.db2.gz URBRBOAJWYOIPH-LBPRGKRZSA-N 1 0 231.299 1.864 10 30 BDEERO N#Cc1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000036946414 181127975 /nfs/dbraw/zinc/12/79/75/181127975.db2.gz LXBBUCYCILCPPJ-UHFFFAOYSA-N 1 0 245.326 1.232 10 30 BDEERO N#Cc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC000051872863 181128851 /nfs/dbraw/zinc/12/88/51/181128851.db2.gz OGNHLJAQXQDCSR-SNVBAGLBSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)cc1 ZINC000051865796 181128960 /nfs/dbraw/zinc/12/89/60/181128960.db2.gz XHPOCLVGTXTWGL-LLVKDONJSA-N 1 0 202.257 1.689 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@H]1C ZINC000262565989 535262679 /nfs/dbraw/zinc/26/26/79/535262679.db2.gz LIBZKKKMVHUEAK-OUAUKWLOSA-N 1 0 225.336 1.129 10 30 BDEERO N#Cc1ccc2c(c1)CCC[C@H]([NH3+])[C@H]2O ZINC000008699491 181132270 /nfs/dbraw/zinc/13/22/70/181132270.db2.gz RLFWKGDFWFJUBT-RYUDHWBXSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062112356 181141054 /nfs/dbraw/zinc/14/10/54/181141054.db2.gz VAAJBNICOXNAOX-JTQLQIEISA-N 1 0 215.256 1.106 10 30 BDEERO N#Cc1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000038094094 181144897 /nfs/dbraw/zinc/14/48/97/181144897.db2.gz OLPPKMCFXUDMCT-LLVKDONJSA-N 1 0 216.284 1.684 10 30 BDEERO N#Cc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000043220270 181153778 /nfs/dbraw/zinc/15/37/78/181153778.db2.gz ZROYMJIPNXUCPB-SNVBAGLBSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ccnc(SC2CC[NH2+]CC2)c1 ZINC000091362312 181158387 /nfs/dbraw/zinc/15/83/87/181158387.db2.gz YNFKOFVFSWXJGB-UHFFFAOYSA-N 1 0 219.313 1.797 10 30 BDEERO N#Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000061658843 181170384 /nfs/dbraw/zinc/17/03/84/181170384.db2.gz QDERDFGIVXTGOV-DGCLKSJQSA-N 1 0 231.299 1.346 10 30 BDEERO CNC(=[NH+]N)[C@H]1CCCc2sccc21 ZINC000168467319 355841123 /nfs/dbraw/zinc/84/11/23/355841123.db2.gz HHFRFFQPOPBVNR-QMMMGPOBSA-N 1 0 209.318 1.660 10 30 BDEERO C=C(Cl)CN1CCC(C)([NH2+]C)CC1 ZINC000168462262 355841215 /nfs/dbraw/zinc/84/12/15/355841215.db2.gz KSECBCPOGJDTGH-UHFFFAOYSA-N 1 0 202.729 1.813 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)cn1 ZINC000087780025 355853171 /nfs/dbraw/zinc/85/31/71/355853171.db2.gz HGRLUCRCWFOTIK-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO C[C@@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337456 356802536 /nfs/dbraw/zinc/80/25/36/356802536.db2.gz SYDFIEWGMLGOBJ-ZCFIWIBFSA-N 1 0 244.220 1.731 10 30 BDEERO C=C(Br)CN1CC(C)(C)[NH2+]C[C@@H]1C ZINC000168396996 356897676 /nfs/dbraw/zinc/89/76/76/356897676.db2.gz BFEOJGZEPFWQLO-VIFPVBQESA-N 1 0 247.180 1.967 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)nc1 ZINC000129916279 357041609 /nfs/dbraw/zinc/04/16/09/357041609.db2.gz PCABURMITQGSPV-ZDUSSCGKSA-N 1 0 232.331 1.763 10 30 BDEERO CCC(CC)[NH2+]Cc1cnc(C#N)n1C ZINC000685948326 538890649 /nfs/dbraw/zinc/89/06/49/538890649.db2.gz HUXMBMQNJNGCDO-UHFFFAOYSA-N 1 0 206.293 1.570 10 30 BDEERO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2/C(N)=N/O)O1 ZINC000232006004 357638391 /nfs/dbraw/zinc/63/83/91/357638391.db2.gz JKDIPJIXPWAIQG-GMTAPVOTSA-N 1 0 241.335 1.155 10 30 BDEERO C=CCN(CCOC)C(=O)[C@@H](CCC)[NH+](C)C ZINC000191969874 357807989 /nfs/dbraw/zinc/80/79/89/357807989.db2.gz APTZYEKYXJFFRY-GFCCVEGCSA-N 1 0 242.363 1.378 10 30 BDEERO CCC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C#N ZINC000584629497 358298435 /nfs/dbraw/zinc/29/84/35/358298435.db2.gz VRDMTSHVLJVMJQ-SRVKXCTJSA-N 1 0 237.347 1.655 10 30 BDEERO C[NH+]1CCC(COc2cc(N)ncc2C#N)CC1 ZINC000584633283 358317069 /nfs/dbraw/zinc/31/70/69/358317069.db2.gz YYBUSUYEYXBRDI-UHFFFAOYSA-N 1 0 246.314 1.086 10 30 BDEERO C[C@@H]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000230063636 358391706 /nfs/dbraw/zinc/39/17/06/358391706.db2.gz ORJYEKWVGLPOLG-NEPJUHHUSA-N 1 0 249.358 1.527 10 30 BDEERO C[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000230063642 358391971 /nfs/dbraw/zinc/39/19/71/358391971.db2.gz ORJYEKWVGLPOLG-RYUDHWBXSA-N 1 0 249.358 1.527 10 30 BDEERO C=C(Br)CNC(N[C@@H]1C[C@@H]1C)=[NH+]C ZINC000176384066 134291318 /nfs/dbraw/zinc/29/13/18/134291318.db2.gz KLEXIXNQCGPYOT-POYBYMJQSA-N 1 0 246.152 1.468 10 30 BDEERO C#CCSCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132878845 358738067 /nfs/dbraw/zinc/73/80/67/358738067.db2.gz JHUGKKGVPXTTCW-TUAOUCFPSA-N 1 0 239.384 1.756 10 30 BDEERO C=C(Cl)CNC1=[NH+]CC(C)(C)CN1 ZINC000306157193 358948788 /nfs/dbraw/zinc/94/87/88/358948788.db2.gz JKUBNPYNRSHQCL-UHFFFAOYSA-N 1 0 201.701 1.314 10 30 BDEERO C=C(Cl)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000306390348 359747197 /nfs/dbraw/zinc/74/71/97/359747197.db2.gz YIPCLOLHFYSDOJ-VIFPVBQESA-N 1 0 202.729 1.798 10 30 BDEERO [NH3+][C@H]1CC[C@@H](CC(=O)C2=COCCC2)C1 ZINC000306485201 360161150 /nfs/dbraw/zinc/16/11/50/360161150.db2.gz HFJOBLITJAKUSK-KOLCDFICSA-N 1 0 209.289 1.767 10 30 BDEERO C=C(C(=O)[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306500502 360269166 /nfs/dbraw/zinc/26/91/66/360269166.db2.gz NNNYAEBAGQDUOS-ZETCQYMHSA-N 1 0 207.195 1.674 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389779748 360345987 /nfs/dbraw/zinc/34/59/87/360345987.db2.gz CSIIBLZTIZDHID-SKDRFNHKSA-N 1 0 230.315 1.672 10 30 BDEERO C[C@@H](C[NH3+])Oc1cc(Cl)cc(C#N)c1 ZINC000306508074 360317521 /nfs/dbraw/zinc/31/75/21/360317521.db2.gz ALSYDZZMXFFFFV-ZETCQYMHSA-N 1 0 210.664 1.938 10 30 BDEERO CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCS ZINC000306570000 360450209 /nfs/dbraw/zinc/45/02/09/360450209.db2.gz XRVMRCQQRIPGSR-ZJUUUORDSA-N 1 0 200.351 1.085 10 30 BDEERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)CC#CC(C)(C)C ZINC000300814489 360518272 /nfs/dbraw/zinc/51/82/72/360518272.db2.gz YACUITAMDJCJTI-QWRGUYRKSA-N 1 0 207.317 1.993 10 30 BDEERO NC(=[NH2+])NN=Cc1ccccc1C(F)(F)F ZINC000006438450 181322902 /nfs/dbraw/zinc/32/29/02/181322902.db2.gz KTAIFQOKKAMUDS-WCSRMQSCSA-N 1 0 230.193 1.313 10 30 BDEERO [NH3+]CC#Cc1ccc(COC[C@@H]2CCCO2)cc1 ZINC000049610787 181346600 /nfs/dbraw/zinc/34/66/00/181346600.db2.gz LUAFHUIMEXUQSO-HNNXBMFYSA-N 1 0 245.322 1.692 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130697481 364510893 /nfs/dbraw/zinc/51/08/93/364510893.db2.gz WMHLSVOPOSZCDM-SNVBAGLBSA-N 1 0 248.286 1.862 10 30 BDEERO Cc1cc(C#N)nc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000231942843 219958744 /nfs/dbraw/zinc/95/87/44/219958744.db2.gz PQEFOUXMXSONEG-JTQLQIEISA-N 1 0 233.319 1.442 10 30 BDEERO CC(C)[NH2+]CCCNc1cc(C#N)ccn1 ZINC000581538789 367557844 /nfs/dbraw/zinc/55/78/44/367557844.db2.gz MHRXTSIKCJCKIT-UHFFFAOYSA-N 1 0 218.304 1.175 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@@H](C)O1 ZINC000384516229 367694850 /nfs/dbraw/zinc/69/48/50/367694850.db2.gz AGCZEGXVBVELKL-ZIQFBCGOSA-N 1 0 208.305 1.834 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@H](C)O1 ZINC000384516226 367695700 /nfs/dbraw/zinc/69/57/00/367695700.db2.gz AGCZEGXVBVELKL-IIRVCBMXSA-N 1 0 208.305 1.834 10 30 BDEERO CC[NH2+][C@H](C)CNc1nccc(C)c1C#N ZINC000387632853 368989955 /nfs/dbraw/zinc/98/99/55/368989955.db2.gz USIUPSZVRRAFQU-SNVBAGLBSA-N 1 0 218.304 1.672 10 30 BDEERO N#Cc1cccc([C@@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616678526 369111194 /nfs/dbraw/zinc/11/11/94/369111194.db2.gz IDEZJYSDIZDERS-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccccc1[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616678452 369111305 /nfs/dbraw/zinc/11/13/05/369111305.db2.gz GPDPWRORHQHPEO-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c(C)n1 ZINC000600951042 369577495 /nfs/dbraw/zinc/57/74/95/369577495.db2.gz FOGOARXYBMLEMR-NWDGAFQWSA-N 1 0 230.315 1.236 10 30 BDEERO N#Cc1cc(N2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000600959385 369574798 /nfs/dbraw/zinc/57/47/98/369574798.db2.gz VOHWGWDJYLZJFI-LLVKDONJSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1nccnc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600959016 369575107 /nfs/dbraw/zinc/57/51/07/369575107.db2.gz PMOUKNRQXDPLNG-SNVBAGLBSA-N 1 0 231.303 1.056 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955253 369578246 /nfs/dbraw/zinc/57/82/46/369578246.db2.gz KZZCVQDOZFBDBK-JOYOIKCWSA-N 1 0 230.315 1.814 10 30 BDEERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)c(C#N)cn1 ZINC000600955821 369578253 /nfs/dbraw/zinc/57/82/53/369578253.db2.gz RQSJGDIIKSSGEZ-CABZTGNLSA-N 1 0 230.315 1.236 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000600960214 369580407 /nfs/dbraw/zinc/58/04/07/369580407.db2.gz BSRQZQLLWTVJBP-PWSUYJOCSA-N 1 0 215.300 1.589 10 30 BDEERO N#Cc1cnc(N[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000600963684 369581242 /nfs/dbraw/zinc/58/12/42/369581242.db2.gz YLZBJFGNSMXCBR-MGCOHNPYSA-N 1 0 231.303 1.278 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000600963480 369582716 /nfs/dbraw/zinc/58/27/16/369582716.db2.gz VOEVOACFRIVSPZ-VXNVDRBHSA-N 1 0 237.253 1.762 10 30 BDEERO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CC[N@@H+]1C ZINC000252217944 370003004 /nfs/dbraw/zinc/00/30/04/370003004.db2.gz ZQOSDBGYQBCYOL-YVECIDJPSA-N 1 0 221.348 1.751 10 30 BDEERO CCc1nc(C#N)cc(N[C@H]2CC[N@@H+](CC)C2)n1 ZINC000308167196 370106167 /nfs/dbraw/zinc/10/61/67/370106167.db2.gz KONZEDMQXCACLK-JTQLQIEISA-N 1 0 245.330 1.417 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000252738093 370121356 /nfs/dbraw/zinc/12/13/56/370121356.db2.gz CVISCHAWBUHRDK-USZNOCQGSA-N 1 0 208.305 1.836 10 30 BDEERO C=C(CC)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000313499020 370591611 /nfs/dbraw/zinc/59/16/11/370591611.db2.gz NRQNGQLHMARWCQ-LBPRGKRZSA-N 1 0 239.315 1.713 10 30 BDEERO CC#CC[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328652236 371135891 /nfs/dbraw/zinc/13/58/91/371135891.db2.gz WGBNVYITQGTFGS-GFCCVEGCSA-N 1 0 217.316 1.401 10 30 BDEERO N#Cc1ncccc1N1CCC(CC[NH3+])CC1 ZINC000131065830 371552904 /nfs/dbraw/zinc/55/29/04/371552904.db2.gz NLYWYRCMSRZURO-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO N#Cc1cc(Cl)nc(N2CC[NH2+]CC2)c1 ZINC000215558038 371579701 /nfs/dbraw/zinc/57/97/01/371579701.db2.gz JBFQPVSRSFTTDM-UHFFFAOYSA-N 1 0 222.679 1.016 10 30 BDEERO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000228360995 372020989 /nfs/dbraw/zinc/02/09/89/372020989.db2.gz HHTCDWUGNMISNC-RYUDHWBXSA-N 1 0 237.347 1.573 10 30 BDEERO C=CCCNC(=[NH2+])NCc1ccccc1 ZINC000307241922 372102116 /nfs/dbraw/zinc/10/21/16/372102116.db2.gz IZPRLUSNEDPPTN-UHFFFAOYSA-N 1 0 203.289 1.877 10 30 BDEERO CC(C)([NH3+])C#Cc1ccc(Br)cn1 ZINC000143622416 374232540 /nfs/dbraw/zinc/23/25/40/374232540.db2.gz ITLODPLYIZLDGT-UHFFFAOYSA-N 1 0 239.116 1.933 10 30 BDEERO NN=C(N)c1ccc(Br)cc1F ZINC000042038435 374240168 /nfs/dbraw/zinc/24/01/68/374240168.db2.gz NXDVCQSGDGONIB-UHFFFAOYSA-N 1 0 232.056 1.167 10 30 BDEERO CCCC[C@H]([NH3+])C(=O)N(CCC#N)CCC#N ZINC000037825566 169005393 /nfs/dbraw/zinc/00/53/93/169005393.db2.gz IROLYOUHPUMEKY-NSHDSACASA-N 1 0 236.319 1.160 10 30 BDEERO CCCN(CC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748475 169091606 /nfs/dbraw/zinc/09/16/06/169091606.db2.gz FFZXECWKKYPICA-FOSCPWQOSA-N 1 0 207.321 1.505 10 30 BDEERO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054828232 169217430 /nfs/dbraw/zinc/21/74/30/169217430.db2.gz UZEWBWGIDUAVTD-RYUDHWBXSA-N 1 0 237.347 1.575 10 30 BDEERO CCC[NH2+]CC(=O)N(C)c1cccc(C#N)c1 ZINC000061980839 169255710 /nfs/dbraw/zinc/25/57/10/169255710.db2.gz LOQUERVEDNFTLN-UHFFFAOYSA-N 1 0 231.299 1.521 10 30 BDEERO CCC[NH2+]CCC(=O)Nc1n[nH]c(C)n1 ZINC000072417554 169257452 /nfs/dbraw/zinc/25/74/52/169257452.db2.gz UBJJEVWNKFZRKD-UHFFFAOYSA-N 1 0 211.269 1.091 10 30 BDEERO CCCNC(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037552799 169239427 /nfs/dbraw/zinc/23/94/27/169239427.db2.gz GTAHRWYTOPLQFR-UHFFFAOYSA-N 1 0 249.289 1.667 10 30 BDEERO CCCNC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000037569781 169249575 /nfs/dbraw/zinc/24/95/75/169249575.db2.gz KMHLSWPBBMUIOF-UHFFFAOYSA-N 1 0 234.274 1.276 10 30 BDEERO C=CC[C@H](C)[NH2+]Cc1c(C)nn(C)c1OC ZINC000116927208 383952369 /nfs/dbraw/zinc/95/23/69/383952369.db2.gz DQWAWGVXPIMOFY-VIFPVBQESA-N 1 0 223.320 1.791 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000234266852 384032882 /nfs/dbraw/zinc/03/28/82/384032882.db2.gz WDHHIZJRNAMASJ-CYBMUJFWSA-N 1 0 247.317 1.833 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000310191106 384091754 /nfs/dbraw/zinc/09/17/54/384091754.db2.gz YVULWNKZDKSYEI-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C#CCCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000173332675 533037282 /nfs/dbraw/zinc/03/72/82/533037282.db2.gz UXPYHUZDKFLSJD-UHFFFAOYSA-N 1 0 249.358 1.280 10 30 BDEERO Cc1ccnc(N[C@@H](C)CCC[NH3+])c1C#N ZINC000336668043 384249550 /nfs/dbraw/zinc/24/95/50/384249550.db2.gz QTANXCLSTKGUCC-JTQLQIEISA-N 1 0 218.304 1.801 10 30 BDEERO C#CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227362385 533056569 /nfs/dbraw/zinc/05/65/69/533056569.db2.gz IDNLSZMKGIEZBL-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO CC#CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188109922 384359610 /nfs/dbraw/zinc/35/96/10/384359610.db2.gz CFYFYYZEZRZQPB-STQMWFEESA-N 1 0 235.352 1.779 10 30 BDEERO [NH2+]=C(Nc1ccccn1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249465956 384507473 /nfs/dbraw/zinc/50/74/73/384507473.db2.gz GQIDKFWOCWZKHT-HBNTYKKESA-N 1 0 246.314 1.376 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000336100036 384490763 /nfs/dbraw/zinc/49/07/63/384490763.db2.gz ZCUJNYJORVICTR-RQJHMYQMSA-N 1 0 225.242 1.984 10 30 BDEERO C[C@@H](CC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000310726558 385150019 /nfs/dbraw/zinc/15/00/19/385150019.db2.gz ABPCEJSRBDYUKM-JTQLQIEISA-N 1 0 244.342 1.981 10 30 BDEERO CN(c1cc(C#N)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000082500098 385288748 /nfs/dbraw/zinc/28/87/48/385288748.db2.gz DJUBTEGQYJKBHE-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308240611 385411949 /nfs/dbraw/zinc/41/19/49/385411949.db2.gz NIISHTNIVKIFQI-NEPJUHHUSA-N 1 0 244.342 1.825 10 30 BDEERO C[NH2+][C@@H]1CCN(c2cc(C)nc(C#N)c2)C1 ZINC000308242943 385413314 /nfs/dbraw/zinc/41/33/14/385413314.db2.gz UKVGKBAWBGRWEU-SNVBAGLBSA-N 1 0 216.288 1.060 10 30 BDEERO N#CCCCC[N@H+]1CCC[C@@H]1CCCO ZINC000052759675 385462628 /nfs/dbraw/zinc/46/26/28/385462628.db2.gz SZRRVISYJCDDEC-GFCCVEGCSA-N 1 0 210.321 1.917 10 30 BDEERO CN(CC[NH3+])c1ccc(C#N)cc1Cl ZINC000062791411 385561602 /nfs/dbraw/zinc/56/16/02/385561602.db2.gz RPQSIZVLEKOYGY-UHFFFAOYSA-N 1 0 209.680 1.607 10 30 BDEERO C[NH+]1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000054824963 385664288 /nfs/dbraw/zinc/66/42/88/385664288.db2.gz QWVZBXKWRXAFFB-CMPLNLGQSA-N 1 0 207.321 1.362 10 30 BDEERO C#CCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000191119301 386376729 /nfs/dbraw/zinc/37/67/29/386376729.db2.gz WANZHEOTCLWQBD-CQSZACIVSA-N 1 0 244.338 1.251 10 30 BDEERO C#CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575595710 386377117 /nfs/dbraw/zinc/37/71/17/386377117.db2.gz UHIOMDHOFVKLAC-OAHLLOKOSA-N 1 0 242.322 1.400 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000399198793 386450238 /nfs/dbraw/zinc/45/02/38/386450238.db2.gz MSJOOZBWMLTLDP-SMDDNHRTSA-N 1 0 230.311 1.903 10 30 BDEERO N#CCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398689904 386949753 /nfs/dbraw/zinc/94/97/53/386949753.db2.gz BWOIWYXAJUISON-SRVKXCTJSA-N 1 0 208.305 1.383 10 30 BDEERO C=C(C)[C@@H]([NH3+])c1c(Br)cnn1C ZINC000575483004 387186186 /nfs/dbraw/zinc/18/61/86/387186186.db2.gz NCTFXAUHDCBPND-SSDOTTSWSA-N 1 0 230.109 1.759 10 30 BDEERO CC(C)[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424071688 387476357 /nfs/dbraw/zinc/47/63/57/387476357.db2.gz BUNGXMGEPFNYBR-NXEZZACHSA-N 1 0 211.309 1.168 10 30 BDEERO CN/C(=[NH+]/C)N(C)[C@H]1CCCSC1 ZINC000575533351 387554366 /nfs/dbraw/zinc/55/43/66/387554366.db2.gz BLICFQNLYIAVQS-QMMMGPOBSA-N 1 0 201.339 1.019 10 30 BDEERO N#C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575535439 387575567 /nfs/dbraw/zinc/57/55/67/387575567.db2.gz ZAHPEHKRQZXDOT-CYBMUJFWSA-N 1 0 242.326 1.947 10 30 BDEERO C=CC[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518173 387921449 /nfs/dbraw/zinc/92/14/49/387921449.db2.gz GUEMKIABHADZBS-LLVKDONJSA-N 1 0 221.304 1.819 10 30 BDEERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000132014533 388355599 /nfs/dbraw/zinc/35/55/99/388355599.db2.gz WIIMBZYZQFXZTF-GZMMTYOYSA-N 1 0 206.245 1.418 10 30 BDEERO Cc1cnn(CC[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174362800 388439627 /nfs/dbraw/zinc/43/96/27/388439627.db2.gz PDHLPCGBOFOBPS-UHFFFAOYSA-N 1 0 230.271 1.446 10 30 BDEERO CC[C@H]([NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130697036 388568346 /nfs/dbraw/zinc/56/83/46/388568346.db2.gz PUAXXESGGPKRFN-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)cc(C#N)n1 ZINC000308236218 388658774 /nfs/dbraw/zinc/65/87/74/388658774.db2.gz BIAJKHGESSZQNR-GXFFZTMASA-N 1 0 230.315 1.814 10 30 BDEERO CCc1nnc(N[C@H](C)C[NH3+])c(C#N)c1CC ZINC000124177643 388741888 /nfs/dbraw/zinc/74/18/88/388741888.db2.gz WBKQRDDKXVUGIU-MRVPVSSYSA-N 1 0 233.319 1.232 10 30 BDEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2CCCO)ccn1 ZINC000068760603 388716880 /nfs/dbraw/zinc/71/68/80/388716880.db2.gz OHURWOHJMCCYMW-CQSZACIVSA-N 1 0 245.326 1.690 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000096474803 388820493 /nfs/dbraw/zinc/82/04/93/388820493.db2.gz QAVMZNPHXVXASU-GFCCVEGCSA-N 1 0 245.301 1.982 10 30 BDEERO C#C[C@@H](C)NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000186049487 533230312 /nfs/dbraw/zinc/23/03/12/533230312.db2.gz JPZIUFHGHZBEJG-MNOVXSKESA-N 1 0 225.336 1.038 10 30 BDEERO Cc1cc(C#N)cc(N2CCC(C[NH3+])CC2)n1 ZINC000161724489 132232997 /nfs/dbraw/zinc/23/29/97/132232997.db2.gz ORQVQWLJZIMAGP-UHFFFAOYSA-N 1 0 230.315 1.437 10 30 BDEERO C=CC[N@H+]1CCN2C[C@H]1Cc1ccc(N)cc12 ZINC000027846446 132267059 /nfs/dbraw/zinc/26/70/59/132267059.db2.gz BQODMLOJIJEJTH-CYBMUJFWSA-N 1 0 229.327 1.502 10 30 BDEERO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)cc(C#N)n1 ZINC000308281417 132294506 /nfs/dbraw/zinc/29/45/06/132294506.db2.gz VJOGHPYEPLNMNS-ZDUSSCGKSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1cc(N2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000061812532 132387126 /nfs/dbraw/zinc/38/71/26/132387126.db2.gz KUEHNBYIKDHLEA-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1ncccc1C#N ZINC000063169435 132389460 /nfs/dbraw/zinc/38/94/60/132389460.db2.gz OWOMJRCUQYDGHK-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H](C)N1c1ccc(C#N)cc1 ZINC000211941116 132450634 /nfs/dbraw/zinc/45/06/34/132450634.db2.gz DIXQDTBBUNYSCN-PHIMTYICSA-N 1 0 215.300 1.745 10 30 BDEERO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000357002024 134181676 /nfs/dbraw/zinc/18/16/76/134181676.db2.gz GOKGCRVMZDJKHW-VXGBXAGGSA-N 1 0 235.331 1.233 10 30 BDEERO CC#CCN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000119175710 134225489 /nfs/dbraw/zinc/22/54/89/134225489.db2.gz SWPFHYRXZMSOMX-AWEZNQCLSA-N 1 0 238.375 1.442 10 30 BDEERO C=CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000170682280 134252974 /nfs/dbraw/zinc/25/29/74/134252974.db2.gz LJIUKIAHRGJMCG-LBPRGKRZSA-N 1 0 222.332 1.649 10 30 BDEERO N#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337273395 135009895 /nfs/dbraw/zinc/00/98/95/135009895.db2.gz CRSLVKIMANTPJJ-UPJWGTAASA-N 1 0 222.332 1.916 10 30 BDEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000248874567 135023604 /nfs/dbraw/zinc/02/36/04/135023604.db2.gz IXWDEEAVSUVUTF-UTUOFQBUSA-N 1 0 245.330 1.265 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCOC1 ZINC000252933650 135117917 /nfs/dbraw/zinc/11/79/17/135117917.db2.gz DAQQDFWQKFIDLE-NNYUYHANSA-N 1 0 208.305 1.693 10 30 BDEERO Cc1cc(C#N)nc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261551481 135190850 /nfs/dbraw/zinc/19/08/50/135190850.db2.gz VPXGUCZVDDQBTL-SKDRFNHKSA-N 1 0 245.330 1.220 10 30 BDEERO C=C(Cl)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000261552481 135190969 /nfs/dbraw/zinc/19/09/69/135190969.db2.gz RNNCKUDQBBQJJQ-SNVBAGLBSA-N 1 0 230.739 1.635 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261586597 135227480 /nfs/dbraw/zinc/22/74/80/135227480.db2.gz UMUDFNZCLATEIU-STQMWFEESA-N 1 0 242.326 1.307 10 30 BDEERO CC(C)[C@H]1OCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000261686546 135245851 /nfs/dbraw/zinc/24/58/51/135245851.db2.gz RIAGMEVYGJKORY-GXSJLCMTSA-N 1 0 225.336 1.114 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@H]1CCO[C@H]1C(C)C ZINC000261688389 135246229 /nfs/dbraw/zinc/24/62/29/135246229.db2.gz ROGNMGTYZOPXAR-NEPJUHHUSA-N 1 0 239.363 1.528 10 30 BDEERO C[NH+]=C(NCC(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261821963 135255564 /nfs/dbraw/zinc/25/55/64/135255564.db2.gz ULBIWTKSOGMLMO-UWVGGRQHSA-N 1 0 245.317 1.949 10 30 BDEERO CCNC(=[NH2+])N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261952118 135266184 /nfs/dbraw/zinc/26/61/84/135266184.db2.gz HSCLPYRZEFJARW-NSHDSACASA-N 1 0 249.362 1.246 10 30 BDEERO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000262011148 135272034 /nfs/dbraw/zinc/27/20/34/135272034.db2.gz UBEXYLVSWANKFL-WCBMZHEXSA-N 1 0 249.314 1.839 10 30 BDEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2CC2(C)C)C1 ZINC000262008778 135272254 /nfs/dbraw/zinc/27/22/54/135272254.db2.gz SLGKNJITSVRMPT-NXEZZACHSA-N 1 0 209.337 1.832 10 30 BDEERO CNC(N[C@@H]1C[C@@H]1c1c(F)cccc1F)=[NH+]C ZINC000262267132 135289169 /nfs/dbraw/zinc/28/91/69/135289169.db2.gz SCMOIEPFGHUCBH-OIBJUYFYSA-N 1 0 239.269 1.616 10 30 BDEERO C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[C@H]1C ZINC000262426630 135296420 /nfs/dbraw/zinc/29/64/20/135296420.db2.gz BDBLTYPYTHIJNN-RKDXNWHRSA-N 1 0 229.393 1.701 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000262394911 135298383 /nfs/dbraw/zinc/29/83/83/135298383.db2.gz GMZKZDRWTCYJNU-GHMZBOCLSA-N 1 0 209.337 1.879 10 30 BDEERO C[NH+]=C(NCc1ccc2cc[nH]c2n1)NC1CC1 ZINC000262395808 135298889 /nfs/dbraw/zinc/29/88/89/135298889.db2.gz SQXOEKOQOVKZIR-UHFFFAOYSA-N 1 0 243.314 1.390 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262455523 135300555 /nfs/dbraw/zinc/30/05/55/135300555.db2.gz WSJQPKDIKHKDGF-NSHDSACASA-N 1 0 249.289 1.740 10 30 BDEERO CNC(NC[C@@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262612870 135308465 /nfs/dbraw/zinc/30/84/65/135308465.db2.gz BBRGOWTZIGBHJJ-ZCFIWIBFSA-N 1 0 247.751 1.230 10 30 BDEERO CN1CCC[NH+]=C1NC[C@H]1CCC[C@@H](CO)C1 ZINC000263024757 135327130 /nfs/dbraw/zinc/32/71/30/135327130.db2.gz ANCDUGHQFDMKRG-NWDGAFQWSA-N 1 0 239.363 1.066 10 30 BDEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)N1CCC1 ZINC000263069601 135330748 /nfs/dbraw/zinc/33/07/48/135330748.db2.gz GMVBXXITDZZPGM-SNVBAGLBSA-N 1 0 207.321 1.730 10 30 BDEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)N1CCSCC1 ZINC000263131325 135335243 /nfs/dbraw/zinc/33/52/43/135335243.db2.gz HCIIDVMVESZCHT-BQBZGAKWSA-N 1 0 235.303 1.004 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000286218342 135373056 /nfs/dbraw/zinc/37/30/56/135373056.db2.gz SFPWTUMFEJWLHL-WDEREUQCSA-N 1 0 228.311 1.407 10 30 BDEERO N#CC1(CN2CCn3ccnc3C2)CC1 ZINC000334416313 135395948 /nfs/dbraw/zinc/39/59/48/135395948.db2.gz QHYJWCWYLSAEPG-UHFFFAOYSA-N 1 0 202.261 1.002 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592244 135615842 /nfs/dbraw/zinc/61/58/42/135615842.db2.gz VBCFYQBRMCMCQC-SECBINFHSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1(C#N)CCC1 ZINC000407994781 397803972 /nfs/dbraw/zinc/80/39/72/397803972.db2.gz DYTDCNUCBHOSCN-GFCCVEGCSA-N 1 0 249.358 1.813 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1nc(C)c(C)c1C ZINC000053540247 166187751 /nfs/dbraw/zinc/18/77/51/166187751.db2.gz XSNRJOBPDDPHNL-SECBINFHSA-N 1 0 205.305 1.592 10 30 BDEERO C#CCOc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000042878281 166197785 /nfs/dbraw/zinc/19/77/85/166197785.db2.gz JKBQSKWESYOTQG-SECBINFHSA-N 1 0 233.267 1.317 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000070502825 166310288 /nfs/dbraw/zinc/31/02/88/166310288.db2.gz UECBLYLNOFRBJL-NWDGAFQWSA-N 1 0 224.348 1.927 10 30 BDEERO C=CCN1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000052144947 166361034 /nfs/dbraw/zinc/36/10/34/166361034.db2.gz HGNCVZWJMKDZJU-CQSZACIVSA-N 1 0 216.328 1.819 10 30 BDEERO C=CCN1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2C1=O ZINC000096245006 166361737 /nfs/dbraw/zinc/36/17/37/166361737.db2.gz MQLNFGMEHAHDPF-STQMWFEESA-N 1 0 246.310 1.356 10 30 BDEERO C=CCNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000037698185 166372934 /nfs/dbraw/zinc/37/29/34/166372934.db2.gz VAHAJXUBQFFKPO-JTQLQIEISA-N 1 0 234.299 1.387 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000057527102 166372953 /nfs/dbraw/zinc/37/29/53/166372953.db2.gz SOXBMZJXKKJDFJ-NSHDSACASA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020312985 166382379 /nfs/dbraw/zinc/38/23/79/166382379.db2.gz PVSBCOIOKUNEGM-GFCCVEGCSA-N 1 0 232.327 1.509 10 30 BDEERO C=CCNC(=O)[C@H](C)OCC[C@@H]1CCCC[NH2+]1 ZINC000051861767 166389095 /nfs/dbraw/zinc/38/90/95/166389095.db2.gz ULIKVUWJPGTZOQ-RYUDHWBXSA-N 1 0 240.347 1.226 10 30 BDEERO C=CCOc1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000037798810 166423910 /nfs/dbraw/zinc/42/39/10/166423910.db2.gz KGZYKFLJLWOXMI-NSHDSACASA-N 1 0 248.326 1.557 10 30 BDEERO CC(C)NC(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000037552775 167078886 /nfs/dbraw/zinc/07/88/86/167078886.db2.gz ZLFKOJZOAZYAJZ-UHFFFAOYSA-N 1 0 231.299 1.527 10 30 BDEERO N#Cc1ccc([C@@H]2CCOCC[NH2+]2)cc1 ZINC000616658615 411412949 /nfs/dbraw/zinc/41/29/49/411412949.db2.gz HVLAIAHERIJHRR-LBPRGKRZSA-N 1 0 202.257 1.609 10 30 BDEERO CC[N@@H+]1CC[C@@H](Cn2c(C)c(C)c(C#N)c2N)C1 ZINC000037645529 170009505 /nfs/dbraw/zinc/00/95/05/170009505.db2.gz WXZJODIAMZLESS-GFCCVEGCSA-N 1 0 246.358 1.901 10 30 BDEERO CCNC(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587406 170082260 /nfs/dbraw/zinc/08/22/60/170082260.db2.gz IPGJTNIPOUFKSW-NSHDSACASA-N 1 0 245.326 1.377 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)N(CCC#N)CCC#N ZINC000061296599 170106142 /nfs/dbraw/zinc/10/61/42/170106142.db2.gz UEYIBDZDQCWHFL-UHFFFAOYSA-N 1 0 236.319 1.030 10 30 BDEERO CC[NH2+]Cc1nccn1Cc1ccc(C#N)cc1 ZINC000051004711 170132100 /nfs/dbraw/zinc/13/21/00/170132100.db2.gz SPFGFVYHSSYJDA-UHFFFAOYSA-N 1 0 240.310 1.913 10 30 BDEERO CC[NH2+][C@H](C)CC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980462 170156756 /nfs/dbraw/zinc/15/67/56/170156756.db2.gz OGBJCWJHGPEDIL-LLVKDONJSA-N 1 0 245.326 1.909 10 30 BDEERO CCOC(=O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000037749187 170209148 /nfs/dbraw/zinc/20/91/48/170209148.db2.gz MHZJQVODVPJMPU-UHFFFAOYSA-N 1 0 232.283 1.601 10 30 BDEERO CCOc1ccc([C@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019267993 170562120 /nfs/dbraw/zinc/56/21/20/170562120.db2.gz OFKGYOONKSTZSX-AWEZNQCLSA-N 1 0 245.326 1.555 10 30 BDEERO CC[C@@](C#N)(C(C)C)N1CCC[NH2+]CC1 ZINC000037940339 171161706 /nfs/dbraw/zinc/16/17/06/171161706.db2.gz SZINMRVOIFGQOZ-GFCCVEGCSA-N 1 0 209.337 1.610 10 30 BDEERO CC[C@H](C)CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000054491015 171283952 /nfs/dbraw/zinc/28/39/52/171283952.db2.gz QSUUBWBOSBNDIP-LBPRGKRZSA-N 1 0 244.338 1.773 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1sccc1C#N ZINC000040851970 171396964 /nfs/dbraw/zinc/39/69/64/171396964.db2.gz DFLUJNUMVNVDHM-CBAPKCEASA-N 1 0 237.328 1.932 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662631425 412249970 /nfs/dbraw/zinc/24/99/70/412249970.db2.gz SXSGRIFTAWSMMX-AGIUHOORSA-N 1 0 236.359 1.929 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662634183 412250907 /nfs/dbraw/zinc/25/09/07/412250907.db2.gz DTBRXUWFTXMPJB-GRYCIOLGSA-N 1 0 240.322 1.501 10 30 BDEERO C=CCCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000662853386 412324497 /nfs/dbraw/zinc/32/44/97/412324497.db2.gz JMGWTVHQGIVCFP-UHFFFAOYSA-N 1 0 240.347 1.085 10 30 BDEERO CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054828046 172360157 /nfs/dbraw/zinc/36/01/57/172360157.db2.gz FDOREBMTNXSVJQ-GHMZBOCLSA-N 1 0 223.320 1.137 10 30 BDEERO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234225665 172443096 /nfs/dbraw/zinc/44/30/96/172443096.db2.gz IWEHVSNWETXYBT-UHFFFAOYSA-N 1 0 249.274 1.225 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000112590370 172540283 /nfs/dbraw/zinc/54/02/83/172540283.db2.gz XHFLULKTHJIVDI-JTQLQIEISA-N 1 0 233.290 1.838 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000061811947 173125036 /nfs/dbraw/zinc/12/50/36/173125036.db2.gz CCBJQTZQIBSNOA-SNVBAGLBSA-N 1 0 202.261 1.069 10 30 BDEERO C[N@@H+]1CC[C@H](CNc2ccc(C#N)cc2)C1 ZINC000037655393 173147746 /nfs/dbraw/zinc/14/77/46/173147746.db2.gz LVFFIGJIKULGMA-GFCCVEGCSA-N 1 0 215.300 1.922 10 30 BDEERO C[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000040415541 173334757 /nfs/dbraw/zinc/33/47/57/173334757.db2.gz OHXQDCIJGIYSIE-UHFFFAOYSA-N 1 0 223.301 1.395 10 30 BDEERO C[NH2+][C@@H](C)c1cc(F)ccc1-n1cnc(C#N)n1 ZINC000061842266 173419243 /nfs/dbraw/zinc/41/92/43/173419243.db2.gz PDMLRPQMEFCOTB-QMMMGPOBSA-N 1 0 245.261 1.558 10 30 BDEERO C[NH2+][C@H]1CCN(c2ccccc2C#N)C1 ZINC000077297104 173467139 /nfs/dbraw/zinc/46/71/39/173467139.db2.gz LOFKTENTUIRNTN-NSHDSACASA-N 1 0 201.273 1.356 10 30 BDEERO COc1ccc2ccnc(NC(N)=[NH2+])c2c1 ZINC000026970736 175226740 /nfs/dbraw/zinc/22/67/40/175226740.db2.gz SQXJLGAGQJBYPB-UHFFFAOYSA-N 1 0 216.244 1.148 10 30 BDEERO COc1ccccc1C1(C#N)CC[NH2+]CC1 ZINC000059792160 175320203 /nfs/dbraw/zinc/32/02/03/175320203.db2.gz NAXXNQMTMBJFAG-UHFFFAOYSA-N 1 0 216.284 1.840 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1cc(C#N)ccn1 ZINC000308996773 175666238 /nfs/dbraw/zinc/66/62/38/175666238.db2.gz KDGCUJODBFLXFN-VIFPVBQESA-N 1 0 204.277 1.493 10 30 BDEERO C[C@@H]([NH3+])CC(=O)N(CCC#N)Cc1cccnc1 ZINC000037607341 175802838 /nfs/dbraw/zinc/80/28/38/175802838.db2.gz CNUQRXRESRRQEO-LLVKDONJSA-N 1 0 246.314 1.061 10 30 BDEERO C[C@@H](S)c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000083347542 176007620 /nfs/dbraw/zinc/00/76/20/176007620.db2.gz CSBRTKHEGXPAPJ-RQJHMYQMSA-N 1 0 213.306 1.527 10 30 BDEERO C[C@@H]1CCCC[C@]1(C#N)NCC[NH+](C)C ZINC000037940682 176090290 /nfs/dbraw/zinc/09/02/90/176090290.db2.gz GYWXDRQTJQPXJA-VXGBXAGGSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@@H]1CN(C(=O)c2ccc(C#N)o2)C[C@H]1[NH+](C)C ZINC000335312241 176260443 /nfs/dbraw/zinc/26/04/43/176260443.db2.gz LEPDVSCXQOISDQ-MWLCHTKSSA-N 1 0 247.298 1.173 10 30 BDEERO C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000124129332 176302928 /nfs/dbraw/zinc/30/29/28/176302928.db2.gz GUBDFUWVZZSIEB-DOMZBBRYSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H](C1CC1)[N@H+](C)CC(=O)N(C)CCC#N ZINC000035207650 176593025 /nfs/dbraw/zinc/59/30/25/176593025.db2.gz ZAWIXRIBELHCAA-SNVBAGLBSA-N 1 0 223.320 1.089 10 30 BDEERO C[C@H](CC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000310748965 176628392 /nfs/dbraw/zinc/62/83/92/176628392.db2.gz JNHJKVYHLYMLHK-SECBINFHSA-N 1 0 241.298 1.651 10 30 BDEERO C[C@H](CC[NH3+])Nc1ccc(F)cc1C#N ZINC000336671688 176628475 /nfs/dbraw/zinc/62/84/75/176628475.db2.gz GDEPXJOTERIMFR-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO C[C@H]([NH3+])[C@H](c1cccs1)n1cnc(C#N)n1 ZINC000061841951 176772552 /nfs/dbraw/zinc/77/25/52/176772552.db2.gz CKIFBSKLMXNKEO-OIBJUYFYSA-N 1 0 233.300 1.148 10 30 BDEERO C[C@H](S)[C@H]1[NH2+]CCc2ccc(N)cc21 ZINC000075751997 177025972 /nfs/dbraw/zinc/02/59/72/177025972.db2.gz JAEUJKOIFWFDGX-WRWORJQWSA-N 1 0 208.330 1.774 10 30 BDEERO C[C@H]1CCCN1C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037912566 177108086 /nfs/dbraw/zinc/10/80/86/177108086.db2.gz GZGSBEKGDNLTHI-LBPRGKRZSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1[NH+](C)C ZINC000123983062 177276215 /nfs/dbraw/zinc/27/62/15/177276215.db2.gz GMRYLWLHTLCYCL-JQWIXIFHSA-N 1 0 230.315 1.340 10 30 BDEERO Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308246807 229225485 /nfs/dbraw/zinc/22/54/85/229225485.db2.gz ZRIFATHRZDJAHA-MFKMUULPSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(NC[C@@H]2CCC[NH2+]2)cc(C#N)n1 ZINC000308246225 229225726 /nfs/dbraw/zinc/22/57/26/229225726.db2.gz WUDMJYRYBMGDDJ-JTQLQIEISA-N 1 0 216.288 1.426 10 30 BDEERO Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)cc(C#N)n1 ZINC000308236222 229420859 /nfs/dbraw/zinc/42/08/59/229420859.db2.gz BIAJKHGESSZQNR-ZWNOBZJWSA-N 1 0 230.315 1.814 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)cn1 ZINC000082668132 269614513 /nfs/dbraw/zinc/61/45/13/269614513.db2.gz DMCUXCFYNVGDME-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252685692 487829686 /nfs/dbraw/zinc/82/96/86/487829686.db2.gz IMFVIHGUDGKNSW-GARJFASQSA-N 1 0 210.321 1.442 10 30 BDEERO C=CC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000157721891 487918726 /nfs/dbraw/zinc/91/87/26/487918726.db2.gz KYTXQYODNSBGDX-KPPDAEKUSA-N 1 0 210.321 1.585 10 30 BDEERO N#Cc1cccc([C@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536952154 323958128 /nfs/dbraw/zinc/95/81/28/323958128.db2.gz BBGKJLVBFAUFSY-ZDUSSCGKSA-N 1 0 230.311 1.763 10 30 BDEERO O=C1CCCN1CCCC#CC[NH+]1CCCC1 ZINC000003634898 488039426 /nfs/dbraw/zinc/03/94/26/488039426.db2.gz GZELMCLVSWRIOP-UHFFFAOYSA-N 1 0 234.343 1.488 10 30 BDEERO C=C1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000382560979 487547405 /nfs/dbraw/zinc/54/74/05/487547405.db2.gz UGOBXPZHLWTEEG-LLVKDONJSA-N 1 0 210.321 1.538 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000320143625 491122637 /nfs/dbraw/zinc/12/26/37/491122637.db2.gz SPGDXBYPJNOSBQ-JGVFFNPUSA-N 1 0 249.274 1.399 10 30 BDEERO C=CCNC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262315311 534843960 /nfs/dbraw/zinc/84/39/60/534843960.db2.gz BFHQAVOMIWUDNK-UHFFFAOYSA-N 1 0 203.236 1.122 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000286218339 534859751 /nfs/dbraw/zinc/85/97/51/534859751.db2.gz SFPWTUMFEJWLHL-QWRGUYRKSA-N 1 0 228.311 1.407 10 30 BDEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263189185 535390679 /nfs/dbraw/zinc/39/06/79/535390679.db2.gz XRSXOZDGXTYOPK-BQBZGAKWSA-N 1 0 205.252 1.297 10 30 BDEERO CC[NH+](CC)[C@H]1CCN([C@@H](C)CC#N)C1 ZINC000062979905 535681310 /nfs/dbraw/zinc/68/13/10/535681310.db2.gz IXJHDZBUYMBYGY-RYUDHWBXSA-N 1 0 209.337 1.705 10 30 BDEERO CN1CCC[NH+]=C1NCC#Cc1cccc(F)c1 ZINC000263127389 536361206 /nfs/dbraw/zinc/36/12/06/536361206.db2.gz MQFFNCFUMSACSP-UHFFFAOYSA-N 1 0 245.301 1.458 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000221514263 592430803 /nfs/dbraw/zinc/43/08/03/592430803.db2.gz ICSJQYCILJBCES-QJPTWQEYSA-N 1 0 208.305 1.429 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCCC#N)C[C@H]1C ZINC000094996709 635508839 /nfs/dbraw/zinc/50/88/39/635508839.db2.gz AANGEEMCNNCOKC-ZJUUUORDSA-N 1 0 210.277 1.031 10 30 BDEERO CCN(c1cc(C#N)cc(C)n1)[C@H]1CC[NH2+]C1 ZINC000161738946 632397688 /nfs/dbraw/zinc/39/76/88/632397688.db2.gz WRNZOLDXBIEMOS-LBPRGKRZSA-N 1 0 230.315 1.450 10 30 BDEERO N#Cc1sc(N[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000236043381 632868601 /nfs/dbraw/zinc/86/86/01/632868601.db2.gz OGXFJPKVLFSBIN-ZCFIWIBFSA-N 1 0 242.735 1.832 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262772445 636549667 /nfs/dbraw/zinc/54/96/67/636549667.db2.gz HPALVIIHWICPEO-LLVKDONJSA-N 1 0 239.363 1.363 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1nc2c(cc1C#N)CCCC2 ZINC000311017065 636818829 /nfs/dbraw/zinc/81/88/29/636818829.db2.gz NGMJMYNAZOLTTL-SNVBAGLBSA-N 1 0 244.342 1.615 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158798810 641650697 /nfs/dbraw/zinc/65/06/97/641650697.db2.gz LGVUEIIJXWGFLN-BDAKNGLRSA-N 1 0 216.712 1.230 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCS1)N[C@@H]1C[C@@H]1C ZINC000159232081 641672471 /nfs/dbraw/zinc/67/24/71/641672471.db2.gz VFAUMIYEVYATPG-UMNHJUIQSA-N 1 0 241.404 1.846 10 30 BDEERO CO[C@@H](C)CNC(=[NH2+])NC1CCCCC1 ZINC000191226727 641908387 /nfs/dbraw/zinc/90/83/87/641908387.db2.gz ZOTVIWLIGJILMJ-VIFPVBQESA-N 1 0 213.325 1.258 10 30 BDEERO C#CCCCC(=O)NC[C@H](C)[NH+](CC)CC ZINC000192105444 641962338 /nfs/dbraw/zinc/96/23/38/641962338.db2.gz QDVXFEUKQAUJLH-LBPRGKRZSA-N 1 0 224.348 1.636 10 30 BDEERO C#CCCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000179467937 642718379 /nfs/dbraw/zinc/71/83/79/642718379.db2.gz FGFFYFFVYLHUSV-NSHDSACASA-N 1 0 210.321 1.246 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000306186033 642729253 /nfs/dbraw/zinc/72/92/53/642729253.db2.gz IUUBVEGWUYEIMB-PSASIEDQSA-N 1 0 247.180 1.777 10 30 BDEERO CCN(c1ccc(C#N)cc1F)[C@H]1CC[NH2+]C1 ZINC000071314197 643125056 /nfs/dbraw/zinc/12/50/56/643125056.db2.gz RSUVUBDHFKZJKV-NSHDSACASA-N 1 0 233.290 1.886 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000083466397 643454792 /nfs/dbraw/zinc/45/47/92/643454792.db2.gz MHBPMDJBKQQRHQ-VXGBXAGGSA-N 1 0 222.332 1.963 10 30 BDEERO Cc1nc(NCC2CC([NH3+])C2)ccc1C#N ZINC000715085269 712507718 /nfs/dbraw/zinc/50/77/18/712507718.db2.gz HIZWTMXJTKZLAE-UHFFFAOYSA-N 1 0 216.288 1.411 10 30 BDEERO CC#CC[C@H](CO)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000717741104 712668372 /nfs/dbraw/zinc/66/83/72/712668372.db2.gz VLUBWYHPHAKSSD-FVCCEPFGSA-N 1 0 209.333 1.785 10 30 BDEERO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CC[NH3+] ZINC000723894458 711543862 /nfs/dbraw/zinc/54/38/62/711543862.db2.gz LBEBNFJPCNKNNJ-ZYHUDNBSSA-N 1 0 230.315 1.374 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CC[NH3+] ZINC000723894230 711544396 /nfs/dbraw/zinc/54/43/96/711544396.db2.gz KEUZCRFNNPEVGW-GHMZBOCLSA-N 1 0 230.315 1.374 10 30 BDEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721559719 711624647 /nfs/dbraw/zinc/62/46/47/711624647.db2.gz YEPWRCRQOCEERL-MFKMUULPSA-N 1 0 231.299 1.298 10 30 BDEERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721559713 711624797 /nfs/dbraw/zinc/62/47/97/711624797.db2.gz YEPWRCRQOCEERL-GWCFXTLKSA-N 1 0 231.299 1.298 10 30 BDEERO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000310808837 711678074 /nfs/dbraw/zinc/67/80/74/711678074.db2.gz BAHGSSFXVVVAQT-WCQYABFASA-N 1 0 248.330 1.486 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000721873821 711793737 /nfs/dbraw/zinc/79/37/37/711793737.db2.gz PBSUZNAXPPFLSP-NOZJJQNGSA-N 1 0 242.326 1.462 10 30 BDEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C#N)cc1 ZINC000721937776 711940990 /nfs/dbraw/zinc/94/09/90/711940990.db2.gz HSJLGBCAORHXFC-GFCCVEGCSA-N 1 0 215.300 1.968 10 30 BDEERO N#Cc1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000715095628 712508449 /nfs/dbraw/zinc/50/84/49/712508449.db2.gz BZVZJYXSYZWSGH-UHFFFAOYSA-N 1 0 229.283 1.025 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1F ZINC000716755597 712572466 /nfs/dbraw/zinc/57/24/66/712572466.db2.gz OOGQLWUFPDRRJR-UHFFFAOYSA-N 1 0 247.273 1.051 10 30 BDEERO C=CCC1(O)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000717497012 712659835 /nfs/dbraw/zinc/65/98/35/712659835.db2.gz XKSDEHSSOQEURU-VXGBXAGGSA-N 1 0 225.332 1.303 10 30 BDEERO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cn(C)nn1 ZINC000720596785 712856707 /nfs/dbraw/zinc/85/67/07/712856707.db2.gz UOCGKFUXQMCLMU-SNVBAGLBSA-N 1 0 235.335 1.796 10 30 BDEERO CC1(C)CN(c2cccc(C#N)n2)C[C@@H]1[NH3+] ZINC000720748433 712863316 /nfs/dbraw/zinc/86/33/16/712863316.db2.gz QINOPNPCMPROLK-JTQLQIEISA-N 1 0 216.288 1.127 10 30 BDEERO Cc1nc(N2C[C@@H]([NH3+])C(C)(C)C2)ccc1C#N ZINC000720820004 712868223 /nfs/dbraw/zinc/86/82/23/712868223.db2.gz RQBPWESOXGDNAB-LLVKDONJSA-N 1 0 230.315 1.435 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953427 538898088 /nfs/dbraw/zinc/89/80/88/538898088.db2.gz MKVHKXDMVNIYON-VHSXEESVSA-N 1 0 211.305 1.705 10 30 BDEERO CCC(C=O)(CC)C[NH+]1CCN(C2CC2)CC1 ZINC000051204878 168311589 /nfs/dbraw/zinc/31/15/89/168311589.db2.gz ODMBGYROKGNCJH-UHFFFAOYSA-N 1 0 238.375 1.772 10 30 BDEERO CC(C)[C@@H](C#CC(=O)OC(C)(C)C)C[NH3+] ZINC000685954380 538897251 /nfs/dbraw/zinc/89/72/51/538897251.db2.gz WGLOXEMKKVARTN-JTQLQIEISA-N 1 0 211.305 1.562 10 30 BDEERO C[C@H]1C[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953350 538897500 /nfs/dbraw/zinc/89/75/00/538897500.db2.gz LRANWJVQSRLORF-QWRGUYRKSA-N 1 0 223.316 1.577 10 30 BDEERO N#CCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886493 136212266 /nfs/dbraw/zinc/21/22/66/136212266.db2.gz SQILDJCVTCKMAY-UHFFFAOYSA-N 1 0 232.331 1.899 10 30 BDEERO Cc1cc(NN)[nH+]c(Nc2ccc(C#N)cc2)n1 ZINC000057331366 178176556 /nfs/dbraw/zinc/17/65/56/178176556.db2.gz PQGMHDZRMBEXJX-UHFFFAOYSA-N 1 0 240.270 1.108 10 30 BDEERO Cc1cc([C@H](C#N)N2CC[NH2+]CC2)cc(C)c1O ZINC000020424354 178244388 /nfs/dbraw/zinc/24/43/88/178244388.db2.gz NZGSMUMCNRELIO-ZDUSSCGKSA-N 1 0 245.326 1.479 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH3+] ZINC000050430434 178367701 /nfs/dbraw/zinc/36/77/01/178367701.db2.gz BXWKNXDEBHGOTB-MRVPVSSYSA-N 1 0 203.245 1.152 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000320836402 342742082 /nfs/dbraw/zinc/74/20/82/342742082.db2.gz KQZWPPHGNYOJSU-UWVGGRQHSA-N 1 0 244.342 1.980 10 30 BDEERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000399081412 398283066 /nfs/dbraw/zinc/28/30/66/398283066.db2.gz RZOSHVBESJVPBE-LLVKDONJSA-N 1 0 230.315 1.095 10 30 BDEERO CCC[C@H](C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C#N ZINC000149227262 342793277 /nfs/dbraw/zinc/79/32/77/342793277.db2.gz VRDMTSHVLJVMJQ-QJPTWQEYSA-N 1 0 237.347 1.655 10 30 BDEERO CCNC(=[NH+]N)c1cccc(Br)c1 ZINC000042035633 361926906 /nfs/dbraw/zinc/92/69/06/361926906.db2.gz IFZQIDHFDQLSFY-UHFFFAOYSA-N 1 0 242.120 1.679 10 30 BDEERO O=C1C=CO[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000725262430 539026920 /nfs/dbraw/zinc/02/69/20/539026920.db2.gz SAXAPNAXCLUOOD-AWEZNQCLSA-N 1 0 229.279 1.744 10 30 BDEERO CC#CCCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248395971 323018243 /nfs/dbraw/zinc/01/82/43/323018243.db2.gz PJPDASAXSAIXLE-UONOGXRCSA-N 1 0 238.375 1.177 10 30 BDEERO C[C@H](C#N)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000407998379 133459761 /nfs/dbraw/zinc/45/97/61/133459761.db2.gz RDGDJCYNMDNUCJ-GHMZBOCLSA-N 1 0 223.320 1.279 10 30 BDEERO CCOCC[NH+]1[C@H](C)CC(C=O)C[C@H]1C ZINC000584883641 343086745 /nfs/dbraw/zinc/08/67/45/343086745.db2.gz XVGZFUDRTPXSPD-GHMZBOCLSA-N 1 0 213.321 1.711 10 30 BDEERO C=CCOCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000339020319 136271223 /nfs/dbraw/zinc/27/12/23/136271223.db2.gz GMWFIUMJIIHIJF-UONOGXRCSA-N 1 0 239.359 1.816 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]C1CCCCC1 ZINC000034938510 166182657 /nfs/dbraw/zinc/18/26/57/166182657.db2.gz XOMSMIFIJWTHRZ-SNVBAGLBSA-N 1 0 208.305 1.047 10 30 BDEERO CNC(=[NH+]N)c1ccc(Br)c(F)c1 ZINC000043578211 343211019 /nfs/dbraw/zinc/21/10/19/343211019.db2.gz SAXPUCVGVCVYKT-UHFFFAOYSA-N 1 0 246.083 1.428 10 30 BDEERO NC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000039191364 343386881 /nfs/dbraw/zinc/38/68/81/343386881.db2.gz PNYMBNYUYXFJCQ-UHFFFAOYSA-N 1 0 204.060 1.898 10 30 BDEERO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)c(C#N)c(C)n1 ZINC000166257068 136327496 /nfs/dbraw/zinc/32/74/96/136327496.db2.gz NMRMZFDRIYNOTG-YMTOWFKASA-N 1 0 245.326 1.777 10 30 BDEERO CC[N@@H+]1CC[C@@H](Nc2nc(C)ccc2C#N)C1 ZINC000389216731 343520148 /nfs/dbraw/zinc/52/01/48/343520148.db2.gz DCWOXXRHHRRBAY-GFCCVEGCSA-N 1 0 230.315 1.768 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C#N)ncn1 ZINC000310696082 343561844 /nfs/dbraw/zinc/56/18/44/343561844.db2.gz PMYMRGRBBMIUTM-PWSUYJOCSA-N 1 0 243.314 1.021 10 30 BDEERO CC[N@@H+]1CC[C@H](Nc2nccc(C)c2C#N)C1 ZINC000389234190 343624349 /nfs/dbraw/zinc/62/43/49/343624349.db2.gz JGBNLPBRHYLZPM-NSHDSACASA-N 1 0 230.315 1.768 10 30 BDEERO N#CCCOCC[N@H+]1CCC[C@@H]1CCCO ZINC000338954327 343692562 /nfs/dbraw/zinc/69/25/62/343692562.db2.gz NJLMBWFXAXIEPA-GFCCVEGCSA-N 1 0 226.320 1.154 10 30 BDEERO C[C@H]1CCCC[N@@H+]1C[C@]1(C=O)CCOC1 ZINC000051175305 346973942 /nfs/dbraw/zinc/97/39/42/346973942.db2.gz KUIWMVCUKROLHU-RYUDHWBXSA-N 1 0 211.305 1.466 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2ccccc2F)C1 ZINC000409441204 343855566 /nfs/dbraw/zinc/85/55/66/343855566.db2.gz NVBJNCIXILMSMT-GFCCVEGCSA-N 1 0 219.263 1.294 10 30 BDEERO N#C[C@H](c1ccc(Cl)cc1)N1CC(C[NH3+])C1 ZINC000409437650 343843231 /nfs/dbraw/zinc/84/32/31/343843231.db2.gz APTVOLPKMUWYTB-GFCCVEGCSA-N 1 0 235.718 1.795 10 30 BDEERO CN([C@@H](C#N)c1ccccc1)C1C[NH2+]C1 ZINC000409438008 343849449 /nfs/dbraw/zinc/84/94/49/343849449.db2.gz BSDDXIVZODGZOT-LBPRGKRZSA-N 1 0 201.273 1.155 10 30 BDEERO N#C[C@@H](c1ccccc1)N1CC(C[NH3+])C1 ZINC000409440213 343851273 /nfs/dbraw/zinc/85/12/73/343851273.db2.gz KALVVHZWEWFLML-LBPRGKRZSA-N 1 0 201.273 1.142 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)Cc2ccccc2)C1 ZINC000409440575 343852872 /nfs/dbraw/zinc/85/28/72/343852872.db2.gz LOTSISGGSQFZJM-CYBMUJFWSA-N 1 0 215.300 1.025 10 30 BDEERO C#CCn1nc(-c2cccs2)cc1C[NH2+]C ZINC000409443067 343865715 /nfs/dbraw/zinc/86/57/15/343865715.db2.gz GLJRTHAXOIWGAF-UHFFFAOYSA-N 1 0 231.324 1.964 10 30 BDEERO O=CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043803396 344225318 /nfs/dbraw/zinc/22/53/18/344225318.db2.gz ZJQFWRUUBNTCFG-UHFFFAOYSA-N 1 0 210.321 1.136 10 30 BDEERO [NH3+]Cc1ccc(C(=O)C2=COCCC2)o1 ZINC000135425350 344271422 /nfs/dbraw/zinc/27/14/22/344271422.db2.gz TZCQYFZBDMJAIS-UHFFFAOYSA-N 1 0 207.229 1.615 10 30 BDEERO [NH3+]CCN1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000247744727 344391706 /nfs/dbraw/zinc/39/17/06/344391706.db2.gz PEAIAIUAWWIIPW-QWRGUYRKSA-N 1 0 214.378 1.367 10 30 BDEERO N#Cc1cncc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000600958263 344461081 /nfs/dbraw/zinc/46/10/81/344461081.db2.gz DQLGMUGPDJOOBK-SNVBAGLBSA-N 1 0 231.303 1.056 10 30 BDEERO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000135481764 344466521 /nfs/dbraw/zinc/46/65/21/344466521.db2.gz KUQYWDJDMHPGFA-JTQLQIEISA-N 1 0 220.272 1.810 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000381388179 344500582 /nfs/dbraw/zinc/50/05/82/344500582.db2.gz RHBGLRBIVNJXIA-SFYZADRCSA-N 1 0 234.259 1.614 10 30 BDEERO C[C@@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000235118479 344800073 /nfs/dbraw/zinc/80/00/73/344800073.db2.gz ATEHZHLTMRDHJP-BYPYZUCNSA-N 1 0 216.697 1.427 10 30 BDEERO N#Cc1ccncc1NC[C@@H]1CCCC[NH2+]1 ZINC000135799934 344894595 /nfs/dbraw/zinc/89/45/95/344894595.db2.gz ANWHQOGSFUSIAG-NSHDSACASA-N 1 0 216.288 1.507 10 30 BDEERO C[C@@H](C#N)C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235460909 344920291 /nfs/dbraw/zinc/92/02/91/344920291.db2.gz ZFVLCPHOKUAFTL-VHSXEESVSA-N 1 0 241.335 1.649 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156090904 345121701 /nfs/dbraw/zinc/12/17/01/345121701.db2.gz WPJYXVFTUSSPBU-DGAVXFQQSA-N 1 0 233.359 1.895 10 30 BDEERO C=C(Br)CN1CCC[C@H](C[NH3+])C1 ZINC000044531477 345109161 /nfs/dbraw/zinc/10/91/61/345109161.db2.gz CYZNWFAYNDWHRB-SECBINFHSA-N 1 0 233.153 1.566 10 30 BDEERO CC(C)=CC(=O)[C@H]1C[N@@H+](C)CCCN1C ZINC000132259612 345323722 /nfs/dbraw/zinc/32/37/22/345323722.db2.gz JOJCNPNREWCANP-LLVKDONJSA-N 1 0 210.321 1.158 10 30 BDEERO Cc1ccc([C@@H](C[NH3+])n2cnc(C#N)n2)s1 ZINC000061841863 178855568 /nfs/dbraw/zinc/85/55/68/178855568.db2.gz GHCVUULPUXKZOK-MRVPVSSYSA-N 1 0 233.300 1.068 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000082575510 345440921 /nfs/dbraw/zinc/44/09/21/345440921.db2.gz QWMWXDREWJBOQL-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000201502302 345730005 /nfs/dbraw/zinc/73/00/05/345730005.db2.gz GURSZYCYPPDDFW-SECBINFHSA-N 1 0 230.258 1.162 10 30 BDEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000300383355 345809514 /nfs/dbraw/zinc/80/95/14/345809514.db2.gz OWOUPIUTUHXUJH-YFKTTZPYSA-N 1 0 208.305 1.693 10 30 BDEERO CC#CC[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000160189753 345811901 /nfs/dbraw/zinc/81/19/01/345811901.db2.gz JZXLLEMKYSYRKA-LBPRGKRZSA-N 1 0 222.332 1.390 10 30 BDEERO C#C[C@H](O)c1ccc(OCCC[NH+](C)C)cc1 ZINC000143107319 345864610 /nfs/dbraw/zinc/86/46/10/345864610.db2.gz QCQMRNMNTDPXMJ-AWEZNQCLSA-N 1 0 233.311 1.684 10 30 BDEERO N[NH+]=C(N)Nc1cc(Cl)cc(Cl)c1 ZINC000164583015 346611072 /nfs/dbraw/zinc/61/10/72/346611072.db2.gz YMMCMPWMBZOGGV-UHFFFAOYSA-N 1 0 219.075 1.594 10 30 BDEERO CNC(Nc1ccccc1Br)=[NH+]N ZINC000164625259 346613382 /nfs/dbraw/zinc/61/33/82/346613382.db2.gz TXJPIUKKZNNWSQ-UHFFFAOYSA-N 1 0 243.108 1.310 10 30 BDEERO C#CC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000019875341 187370117 /nfs/dbraw/zinc/37/01/17/187370117.db2.gz FOFBNQJSDMMEIM-UHFFFAOYSA-N 1 0 235.283 1.435 10 30 BDEERO N#Cc1ccc(-c2cn3ccc[n+]3[nH]2)cc1 ZINC000169484441 346762051 /nfs/dbraw/zinc/76/20/51/346762051.db2.gz LINVDIUPDGHDAQ-UHFFFAOYSA-N 1 0 209.232 1.392 10 30 BDEERO CC[NH2+]CC1CCN(c2cncc(C#N)n2)CC1 ZINC000401477498 346729713 /nfs/dbraw/zinc/72/97/13/346729713.db2.gz MZPCNONGVNGTSO-UHFFFAOYSA-N 1 0 245.330 1.174 10 30 BDEERO N#Cc1cncc(NC2CCC([NH3+])CC2)n1 ZINC000401496037 346740824 /nfs/dbraw/zinc/74/08/24/346740824.db2.gz DGHHEXWGRFYJDW-UHFFFAOYSA-N 1 0 217.276 1.030 10 30 BDEERO C=CCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309732293 347151341 /nfs/dbraw/zinc/15/13/41/347151341.db2.gz FMLPYFKSQHVLQV-SRVKXCTJSA-N 1 0 224.348 1.988 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000063171584 347657415 /nfs/dbraw/zinc/65/74/15/347657415.db2.gz XBBWXFATZYWHQY-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000593014328 347844431 /nfs/dbraw/zinc/84/44/31/347844431.db2.gz IPDPAXXBILPXPM-CHWSQXEVSA-N 1 0 237.347 1.085 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ncccc1C#N ZINC000594693207 348099888 /nfs/dbraw/zinc/09/98/88/348099888.db2.gz LKCMHIMHCSZYGB-UHFFFAOYSA-N 1 0 204.277 1.127 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000594693731 348100460 /nfs/dbraw/zinc/10/04/60/348100460.db2.gz SJOHNMMMMRSCGL-UHFFFAOYSA-N 1 0 248.286 1.640 10 30 BDEERO CN(CC(C)(C)[NH3+])c1cc(C#N)ccc1[N+](=O)[O-] ZINC000594693795 348100714 /nfs/dbraw/zinc/10/07/14/348100714.db2.gz UWJWTXNEDBTATK-UHFFFAOYSA-N 1 0 248.286 1.640 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(CO)C2)cc1F ZINC000595000016 348168630 /nfs/dbraw/zinc/16/86/30/348168630.db2.gz ATYKJXBOEOQNNH-UHFFFAOYSA-N 1 0 234.274 1.558 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000082627551 348189571 /nfs/dbraw/zinc/18/95/71/348189571.db2.gz ICFJPNXNGWHMAG-BDAKNGLRSA-N 1 0 236.237 1.847 10 30 BDEERO N#Cc1cc2c(nc1N)CC[N@@H+](CC1CC1)C2 ZINC000725245492 538000542 /nfs/dbraw/zinc/00/05/42/538000542.db2.gz JCPORVKRFXGJIN-UHFFFAOYSA-N 1 0 228.299 1.304 10 30 BDEERO C[N@@H+]1CCC[C@H]1CN1CC[C@](C)(C#N)C1 ZINC000595842933 348379969 /nfs/dbraw/zinc/37/99/69/348379969.db2.gz WNEIRTGRSLLCKX-NWDGAFQWSA-N 1 0 207.321 1.316 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000595979682 348414317 /nfs/dbraw/zinc/41/43/17/348414317.db2.gz CIKSVFYIDVVWPF-QWHCGFSZSA-N 1 0 235.331 1.281 10 30 BDEERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980415 348415271 /nfs/dbraw/zinc/41/52/71/348415271.db2.gz HXAIQXOWEKEWTD-CMPLNLGQSA-N 1 0 223.320 1.122 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000595981128 348416040 /nfs/dbraw/zinc/41/60/40/348416040.db2.gz MWLJTMLXOBGPCX-GMXVVIOVSA-N 1 0 235.331 1.266 10 30 BDEERO Cc1cc(C#N)nc(N[C@H](C)CCC[NH3+])n1 ZINC000309312130 187438552 /nfs/dbraw/zinc/43/85/52/187438552.db2.gz MHDPMZCGUSXEDS-MRVPVSSYSA-N 1 0 219.292 1.196 10 30 BDEERO N#C[C@H](c1ccc(F)cc1)N1CC(C[NH3+])C1 ZINC000409440879 350138491 /nfs/dbraw/zinc/13/84/91/350138491.db2.gz MMYQVQLVAMECHU-GFCCVEGCSA-N 1 0 219.263 1.281 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CO1 ZINC000402347344 350191718 /nfs/dbraw/zinc/19/17/18/350191718.db2.gz RHAHSEMXZPTXID-NOOOWODRSA-N 1 0 208.305 1.836 10 30 BDEERO CC1(CNc2cncc(C#N)n2)CC[NH2+]CC1 ZINC000401495035 362978477 /nfs/dbraw/zinc/97/84/77/362978477.db2.gz CQIXABQPCPQERM-UHFFFAOYSA-N 1 0 231.303 1.150 10 30 BDEERO Cc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000382450124 350815953 /nfs/dbraw/zinc/81/59/53/350815953.db2.gz DMGRHAVSEYAYFX-CMPLNLGQSA-N 1 0 230.315 1.223 10 30 BDEERO N#Cc1ccc([C@H]2COCCCN2CC[NH3+])cc1 ZINC000616599972 350777949 /nfs/dbraw/zinc/77/79/49/350777949.db2.gz UJTWXPSIQFZGRH-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccccc1[C@@H]1CCC[N@H+]1CCO ZINC000616608263 350804680 /nfs/dbraw/zinc/80/46/80/350804680.db2.gz QUJMVDBRUDHWNW-ZDUSSCGKSA-N 1 0 216.284 1.687 10 30 BDEERO N#Cc1ccccc1[C@H]1CCC[N@H+]1CCO ZINC000616608348 350804720 /nfs/dbraw/zinc/80/47/20/350804720.db2.gz QUJMVDBRUDHWNW-CYBMUJFWSA-N 1 0 216.284 1.687 10 30 BDEERO O[C@@H]1CC[C@@H]2C[N@H+](CCS)C[C@@H]2C1 ZINC000306691441 350844605 /nfs/dbraw/zinc/84/46/05/350844605.db2.gz QFXCVAQHVIUXAE-KXUCPTDWSA-N 1 0 201.335 1.009 10 30 BDEERO CC(C)[C@@]1(C(=O)C2=COCC2)CC[NH2+]C1 ZINC000306737687 350910466 /nfs/dbraw/zinc/91/04/66/350910466.db2.gz ZJJURZFCGYJDGS-GFCCVEGCSA-N 1 0 209.289 1.495 10 30 BDEERO C=C(CS)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231632999 350989648 /nfs/dbraw/zinc/98/96/48/350989648.db2.gz UYNVYMOHRYJLIU-LLVKDONJSA-N 1 0 212.362 1.252 10 30 BDEERO C[N@@H+]1CCN[C@H](c2ccccc2C#N)C1 ZINC000616632892 351113439 /nfs/dbraw/zinc/11/34/39/351113439.db2.gz RORVGMRNSALMLJ-LBPRGKRZSA-N 1 0 201.273 1.134 10 30 BDEERO CN1CCO[C@H](c2ccccc2C#N)C1 ZINC000616643342 351156134 /nfs/dbraw/zinc/15/61/34/351156134.db2.gz ICVPRBATQAHQTI-LBPRGKRZSA-N 1 0 202.257 1.561 10 30 BDEERO N#Cc1ccc([C@@H]2COCCC[N@H+]2CCO)cc1 ZINC000616645142 351166644 /nfs/dbraw/zinc/16/66/44/351166644.db2.gz LLADYVNSTYHJNI-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO CC(=NNC(N)=[NH2+])c1occc1Br ZINC000306822008 351129638 /nfs/dbraw/zinc/12/96/38/351129638.db2.gz LYWAVCNQKLIUBF-WCIBSUBMSA-N 1 0 245.080 1.249 10 30 BDEERO CN1CC[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000616637689 351134929 /nfs/dbraw/zinc/13/49/29/351134929.db2.gz QHAUSGBWUPRTHW-GFCCVEGCSA-N 1 0 201.273 1.134 10 30 BDEERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000616638777 351139714 /nfs/dbraw/zinc/13/97/14/351139714.db2.gz JPQYSXYYWINGJA-ZDUSSCGKSA-N 1 0 229.283 1.051 10 30 BDEERO N#Cc1ccc(NC(N)=[NH2+])c(Br)c1 ZINC000306861731 351244549 /nfs/dbraw/zinc/24/45/49/351244549.db2.gz GLNUPSBEBUEZIR-UHFFFAOYSA-N 1 0 239.076 1.626 10 30 BDEERO N#Cc1ccc([C@H]2CCOCCN2CC[NH3+])cc1 ZINC000616656481 351203408 /nfs/dbraw/zinc/20/34/08/351203408.db2.gz BFWFDWBUPKMKRZ-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO C[N@@H+]1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666283 351225675 /nfs/dbraw/zinc/22/56/75/351225675.db2.gz MPOPVRXGPNNUHW-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO CNC(NCc1coc(Br)c1)=[NH+]C ZINC000307039978 351437227 /nfs/dbraw/zinc/43/72/27/351437227.db2.gz HSMIDKQBSLFVNZ-UHFFFAOYSA-N 1 0 246.108 1.337 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1cnccc1C#N ZINC000133650443 351438365 /nfs/dbraw/zinc/43/83/65/351438365.db2.gz BRDRPVQIAVLQNV-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO N#Cc1cc2c(nc1NC1C[NH2+]C1)CCCC2 ZINC000090289418 363032338 /nfs/dbraw/zinc/03/23/38/363032338.db2.gz LCMFOZQNBKFEBW-UHFFFAOYSA-N 1 0 228.299 1.216 10 30 BDEERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCC2)C1 ZINC000083798265 351944952 /nfs/dbraw/zinc/94/49/52/351944952.db2.gz MWQXHVGXFBXCCZ-LLVKDONJSA-N 1 0 235.331 1.281 10 30 BDEERO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411217097 191171854 /nfs/dbraw/zinc/17/18/54/191171854.db2.gz LGBAMRARDIFQQX-GHMZBOCLSA-N 1 0 224.304 1.564 10 30 BDEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336743378 352510521 /nfs/dbraw/zinc/51/05/21/352510521.db2.gz OYHIZVDPJIYANT-FIQHERPVSA-N 1 0 224.348 1.844 10 30 BDEERO C=C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000307628949 352705993 /nfs/dbraw/zinc/70/59/93/352705993.db2.gz MSLYFBLRPNQFAH-ZDUSSCGKSA-N 1 0 203.285 1.809 10 30 BDEERO C[C@@H](C[NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000420210443 192176062 /nfs/dbraw/zinc/17/60/62/192176062.db2.gz DGJHAMBBTSIDMC-QMMMGPOBSA-N 1 0 234.259 1.473 10 30 BDEERO CN/C(=[NH+]\C)SCC1CC(F)(F)C1 ZINC000306852745 353043041 /nfs/dbraw/zinc/04/30/41/353043041.db2.gz SEFSZTDYDFUYTG-UHFFFAOYSA-N 1 0 208.277 1.970 10 30 BDEERO Cc1nc(N[C@@H](CC[NH3+])C(F)F)ccc1C#N ZINC000383446619 353090975 /nfs/dbraw/zinc/09/09/75/353090975.db2.gz LHBZHVVHPQFIJK-VIFPVBQESA-N 1 0 240.257 1.078 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000033465472 188060299 /nfs/dbraw/zinc/06/02/99/188060299.db2.gz OTQPZWFYRWYSKF-CYBMUJFWSA-N 1 0 235.327 1.819 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)nc1 ZINC000122678584 188077757 /nfs/dbraw/zinc/07/77/57/188077757.db2.gz GXXVLSXYYDKEDQ-GFCCVEGCSA-N 1 0 218.304 1.739 10 30 BDEERO C=CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171089973 188080334 /nfs/dbraw/zinc/08/03/34/188080334.db2.gz RPIGEKWDRHYXIR-LLVKDONJSA-N 1 0 208.305 1.259 10 30 BDEERO C[NH+]1CCC(C#N)(NC(=O)C(C)(C)C)CC1 ZINC000044349490 188123193 /nfs/dbraw/zinc/12/31/93/188123193.db2.gz QRJNIZOJVQTIOK-UHFFFAOYSA-N 1 0 223.320 1.137 10 30 BDEERO N#CCCCOc1cccc(NC(=O)C[NH3+])c1 ZINC000037767208 188114753 /nfs/dbraw/zinc/11/47/53/188114753.db2.gz DYZRZJNETSCYCH-UHFFFAOYSA-N 1 0 233.271 1.266 10 30 BDEERO CCC[C@H](C#N)C(=O)NCCCC[NH+](C)C ZINC000041680609 188119331 /nfs/dbraw/zinc/11/93/31/188119331.db2.gz FVNZCMCYYIKPBT-LLVKDONJSA-N 1 0 225.336 1.384 10 30 BDEERO Cc1ccc(C#N)c(=O)n1CC[NH+]1CCCCC1 ZINC000041605316 188119456 /nfs/dbraw/zinc/11/94/56/188119456.db2.gz LSHUOTZWJYKVIG-UHFFFAOYSA-N 1 0 245.326 1.514 10 30 BDEERO C=C(Cl)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750095 188145912 /nfs/dbraw/zinc/14/59/12/188145912.db2.gz VOAFCKUFGJZKHB-PBINXNQUSA-N 1 0 200.713 1.693 10 30 BDEERO N#Cc1ccnc([S@@](=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000095073590 188145400 /nfs/dbraw/zinc/14/54/00/188145400.db2.gz DQSIVRWOUGUCMW-APPDUMDISA-N 1 0 249.339 1.060 10 30 BDEERO N#Cc1ccnc([S@@](=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000095073468 188145602 /nfs/dbraw/zinc/14/56/02/188145602.db2.gz JSNSJYDNJBCRIS-APPDUMDISA-N 1 0 249.339 1.203 10 30 BDEERO Cc1nn(Cc2cccnc2C#N)c(C)c1C[NH3+] ZINC000061659602 188128531 /nfs/dbraw/zinc/12/85/31/188128531.db2.gz QWPDNPGRRRTBSK-UHFFFAOYSA-N 1 0 241.298 1.274 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000160093465 353252283 /nfs/dbraw/zinc/25/22/83/353252283.db2.gz KNPKDHARMHYMIV-GFCCVEGCSA-N 1 0 233.315 1.656 10 30 BDEERO C=CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054400850 188222311 /nfs/dbraw/zinc/22/23/11/188222311.db2.gz GXKWDGZVPRKEEP-NEPJUHHUSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000130794131 353366318 /nfs/dbraw/zinc/36/63/18/353366318.db2.gz XAHJZSIZHHAOSD-QWRGUYRKSA-N 1 0 225.336 1.200 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002684 353582035 /nfs/dbraw/zinc/58/20/35/353582035.db2.gz XGMCIQYJZZWQHF-YPMHNXCESA-N 1 0 248.326 1.000 10 30 BDEERO Cc1ccc(C(N)=[NH+]N)c(Br)c1 ZINC000129583681 353697663 /nfs/dbraw/zinc/69/76/63/353697663.db2.gz IMKNYLITXOHVBT-UHFFFAOYSA-N 1 0 228.093 1.337 10 30 BDEERO N#Cc1cnccc1N1CCC[C@H](CC[NH3+])C1 ZINC000399025953 353682591 /nfs/dbraw/zinc/68/25/91/353682591.db2.gz JTYMCWNXUCGHJK-LLVKDONJSA-N 1 0 230.315 1.518 10 30 BDEERO N#CC1(NC2CCCCCC2)CC[NH2+]CC1 ZINC000040695236 181030362 /nfs/dbraw/zinc/03/03/62/181030362.db2.gz UOMKKGWWJAAAGW-UHFFFAOYSA-N 1 0 221.348 1.945 10 30 BDEERO N#CCN(CC#N)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042944618 181040544 /nfs/dbraw/zinc/04/05/44/181040544.db2.gz LNPNHIQFSJVUBQ-GFCCVEGCSA-N 1 0 248.717 1.689 10 30 BDEERO N#C[C@@H](Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000037940423 181055042 /nfs/dbraw/zinc/05/50/42/181055042.db2.gz QIFGDCRNOKCVJL-CQSZACIVSA-N 1 0 229.327 1.417 10 30 BDEERO N#C[C@@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000019391026 181055097 /nfs/dbraw/zinc/05/50/97/181055097.db2.gz HNGQUNIJQDVFHI-CYBMUJFWSA-N 1 0 215.300 1.026 10 30 BDEERO N#C[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CCCC1 ZINC000035931766 181058309 /nfs/dbraw/zinc/05/83/09/181058309.db2.gz FQLSDZRDGGRNBU-WDEREUQCSA-N 1 0 221.304 1.018 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)cc1O ZINC000061891469 181059492 /nfs/dbraw/zinc/05/94/92/181059492.db2.gz FBSDHBAGFXPUFI-CABZTGNLSA-N 1 0 232.283 1.880 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000054823797 181059531 /nfs/dbraw/zinc/05/95/31/181059531.db2.gz XSLQYXZSRYVEAV-WCQYABFASA-N 1 0 215.300 1.906 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061890721 181059746 /nfs/dbraw/zinc/05/97/46/181059746.db2.gz CRRLFGJDYKLVMQ-SRVKXCTJSA-N 1 0 235.331 1.185 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000061890477 181059779 /nfs/dbraw/zinc/05/97/79/181059779.db2.gz CXRNFZFADXPRDC-RWMBFGLXSA-N 1 0 243.310 1.495 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000061890685 181059960 /nfs/dbraw/zinc/05/99/60/181059960.db2.gz ANFYYGBXXUDRDD-UWVGGRQHSA-N 1 0 221.304 1.066 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036158258 181074771 /nfs/dbraw/zinc/07/47/71/181074771.db2.gz YBAWQOFORWITNH-LBPRGKRZSA-N 1 0 247.273 1.778 10 30 BDEERO N#C[C@H]1CCC[C@@H]1N(CC(N)=O)C1CCCC1 ZINC000042428837 181069147 /nfs/dbraw/zinc/06/91/47/181069147.db2.gz MGHPZANEQNKLCV-PWSUYJOCSA-N 1 0 235.331 1.409 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020312989 166389177 /nfs/dbraw/zinc/38/91/77/166389177.db2.gz PVSBCOIOKUNEGM-LBPRGKRZSA-N 1 0 232.327 1.509 10 30 BDEERO N#Cc1cc2c(nc1O[C@@H]1CCC[NH2+]C1)CCC2 ZINC000051873157 181094091 /nfs/dbraw/zinc/09/40/91/181094091.db2.gz YZLWOSDRCVDUJP-GFCCVEGCSA-N 1 0 243.310 1.573 10 30 BDEERO N#Cc1ccc(-c2ccc(C[NH3+])cn2)nc1 ZINC000072204360 181095261 /nfs/dbraw/zinc/09/52/61/181095261.db2.gz FNYJEZNCJFJPAT-UHFFFAOYSA-N 1 0 210.240 1.474 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037978068 166389436 /nfs/dbraw/zinc/38/94/36/166389436.db2.gz USKJFTCOBJQICA-JTQLQIEISA-N 1 0 222.288 1.102 10 30 BDEERO N#Cc1ccc(C[C@H]2COCC[C@H]2[NH3+])cc1 ZINC000095077450 181110992 /nfs/dbraw/zinc/11/09/92/181110992.db2.gz XGMBHKYEJABGDU-QWHCGFSZSA-N 1 0 216.284 1.465 10 30 BDEERO N#Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062112385 181117919 /nfs/dbraw/zinc/11/79/19/181117919.db2.gz YMSVHIWMBPDCNP-SNVBAGLBSA-N 1 0 215.256 1.106 10 30 BDEERO N#Cc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000011628155 181119334 /nfs/dbraw/zinc/11/93/34/181119334.db2.gz WJVCMXUCDXWTSH-UHFFFAOYSA-N 1 0 241.250 1.862 10 30 BDEERO N#Cc1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000062791643 181128451 /nfs/dbraw/zinc/12/84/51/181128451.db2.gz JITXKDRCOUYPFF-SECBINFHSA-N 1 0 222.675 1.952 10 30 BDEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]2)nc1 ZINC000051866223 181129012 /nfs/dbraw/zinc/12/90/12/181129012.db2.gz VEVGYHIRWDVFOJ-JTQLQIEISA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940480 181130623 /nfs/dbraw/zinc/13/06/23/181130623.db2.gz VVAFODIQBDSVRE-CQSZACIVSA-N 1 0 240.310 1.418 10 30 BDEERO N#Cc1ccc2c(c1)CCC[C@@H]([NH3+])[C@H]2O ZINC000008699492 181132351 /nfs/dbraw/zinc/13/23/51/181132351.db2.gz RLFWKGDFWFJUBT-NEPJUHHUSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1cccnc1[S@@](=O)C[C@H]1CCCC[NH2+]1 ZINC000095073466 181154455 /nfs/dbraw/zinc/15/44/55/181154455.db2.gz HETZIFPBQGMXCV-PIGZYNQJSA-N 1 0 249.339 1.203 10 30 BDEERO N#Cc1ccnc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000043220296 181157987 /nfs/dbraw/zinc/15/79/87/181157987.db2.gz UWLVDAJKSUMOEW-LLVKDONJSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ccnc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000051918708 181157993 /nfs/dbraw/zinc/15/79/93/181157993.db2.gz OWYCPQLKIQKSBU-NSHDSACASA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1ccnc(OC2CC[NH2+]CC2)c1 ZINC000043220293 181158018 /nfs/dbraw/zinc/15/80/18/181158018.db2.gz YVJKSVNLEXRTKH-UHFFFAOYSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccsc1NC(=O)CCC[NH3+] ZINC000040851948 181160087 /nfs/dbraw/zinc/16/00/87/181160087.db2.gz IFAQETOCGCQWBT-UHFFFAOYSA-N 1 0 209.274 1.297 10 30 BDEERO N#Cc1ncccc1C[NH2+]C[C@@H]1CCOC1 ZINC000061657894 181170840 /nfs/dbraw/zinc/17/08/40/181170840.db2.gz ZRYGLRLWVQPEFD-JTQLQIEISA-N 1 0 217.272 1.079 10 30 BDEERO [NH2+]=C(Nc1ccccn1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190092534 181182164 /nfs/dbraw/zinc/18/21/64/181182164.db2.gz GQIDKFWOCWZKHT-MXWKQRLJSA-N 1 0 246.314 1.376 10 30 BDEERO CO[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCOC1 ZINC000160289651 355850100 /nfs/dbraw/zinc/85/01/00/355850100.db2.gz LTFRYSZZCFZEMU-AGIUHOORSA-N 1 0 238.331 1.464 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)nn1 ZINC000160295336 355859987 /nfs/dbraw/zinc/85/99/87/355859987.db2.gz IBJCJLNRENRDHK-LBPRGKRZSA-N 1 0 245.330 1.269 10 30 BDEERO C[NH+]=C1CCCN1CC(=O)c1ccccc1 ZINC000001513835 356116566 /nfs/dbraw/zinc/11/65/66/356116566.db2.gz UJKFPRQTAUNTRZ-YPKPFQOOSA-N 1 0 216.284 1.993 10 30 BDEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000122665538 363488970 /nfs/dbraw/zinc/48/89/70/363488970.db2.gz NINQJQGEXJVMEB-NSHDSACASA-N 1 0 216.288 1.507 10 30 BDEERO CCCCOC[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000193244014 134139659 /nfs/dbraw/zinc/13/96/59/134139659.db2.gz JIOFYGRIDMMDPV-RYUDHWBXSA-N 1 0 228.336 1.398 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC)C1 ZINC000389666324 357012935 /nfs/dbraw/zinc/01/29/35/357012935.db2.gz DDFKWNQWRVMZNB-CMPLNLGQSA-N 1 0 223.320 1.137 10 30 BDEERO N#Cc1cccc(N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000172409365 134265834 /nfs/dbraw/zinc/26/58/34/134265834.db2.gz CCQFYMCRBSYXPR-UHFFFAOYSA-N 1 0 242.326 1.628 10 30 BDEERO C#CCCCC[NH2+]Cc1cnn(C)c1C ZINC000126291407 358548160 /nfs/dbraw/zinc/54/81/60/358548160.db2.gz KQCDRBZVNWZWDA-UHFFFAOYSA-N 1 0 205.305 1.622 10 30 BDEERO C[C@H]1CCC[N@@H+]1C[C@@]1(C=O)CCCOC1 ZINC000224149354 358615584 /nfs/dbraw/zinc/61/55/84/358615584.db2.gz CVSGPTWPFMNCSZ-NWDGAFQWSA-N 1 0 211.305 1.466 10 30 BDEERO C=CC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000136064530 358861483 /nfs/dbraw/zinc/86/14/83/358861483.db2.gz VBWBHOMNBOYLGQ-CQSZACIVSA-N 1 0 237.391 1.274 10 30 BDEERO C=CCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247344468 359213635 /nfs/dbraw/zinc/21/36/35/359213635.db2.gz NSJJMBQCWMJLLC-NWDGAFQWSA-N 1 0 224.348 1.798 10 30 BDEERO CNC(=[NH+]N)c1c(C)cccc1Br ZINC000306374933 359709032 /nfs/dbraw/zinc/70/90/32/359709032.db2.gz RPFURHDKTVDZLC-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO C#CCOc1cccc(C[NH2+]CCCCCO)c1 ZINC000045946042 359745420 /nfs/dbraw/zinc/74/54/20/359745420.db2.gz XOBXSGILYPCCSD-UHFFFAOYSA-N 1 0 247.338 1.951 10 30 BDEERO C#CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000045945690 359745783 /nfs/dbraw/zinc/74/57/83/359745783.db2.gz UNUNWBPCYRRTAX-HNNXBMFYSA-N 1 0 245.322 1.967 10 30 BDEERO C[C@@H]([NH3+])CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592207 359840113 /nfs/dbraw/zinc/84/01/13/359840113.db2.gz TXWVNVJBTDCPEU-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO Cc1cccc(Br)c1C(N)=[NH+]N ZINC000306511459 360334465 /nfs/dbraw/zinc/33/44/65/360334465.db2.gz MZMKGARZUKLGHW-UHFFFAOYSA-N 1 0 228.093 1.337 10 30 BDEERO CC[C@@H](NC(NC)=[NH+]C)c1cccs1 ZINC000306548458 360418962 /nfs/dbraw/zinc/41/89/62/360418962.db2.gz BQMUBWOAKIHLQI-MRVPVSSYSA-N 1 0 211.334 1.994 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1C(=O)CC#CC(C)(C)C ZINC000300814492 360518717 /nfs/dbraw/zinc/51/87/17/360518717.db2.gz YACUITAMDJCJTI-WDEREUQCSA-N 1 0 207.317 1.993 10 30 BDEERO NC(=[NH2+])Nc1ncc(Cl)cc1Cl ZINC000013436502 181323772 /nfs/dbraw/zinc/32/37/72/181323772.db2.gz VRGKRQOCEVHQSE-UHFFFAOYSA-N 1 0 205.048 1.293 10 30 BDEERO NC(=[NH2+])Nc1ncc(Br)cc1Cl ZINC000013436508 181323793 /nfs/dbraw/zinc/32/37/93/181323793.db2.gz MWRNNVRQWPEZJX-UHFFFAOYSA-N 1 0 249.499 1.402 10 30 BDEERO NC(=[NH2+])Nc1ncc(Cl)c2ccccc21 ZINC000026970724 181323807 /nfs/dbraw/zinc/32/38/07/181323807.db2.gz UUTAMCYYNPHFMF-UHFFFAOYSA-N 1 0 220.663 1.793 10 30 BDEERO C[C@H](C1CC1)N(Cc1ccccc1)/C(N)=[NH+]/O ZINC000306626355 361291293 /nfs/dbraw/zinc/29/12/93/361291293.db2.gz HQJJUWCHMMATKF-SNVBAGLBSA-N 1 0 233.315 1.991 10 30 BDEERO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163176185 361389082 /nfs/dbraw/zinc/38/90/82/361389082.db2.gz WIFNNHBCIIPOBH-XQQFMLRXSA-N 1 0 207.317 1.635 10 30 BDEERO [NH3+]CC#Cc1cccc(CN2CCCC2=O)c1 ZINC000049587724 181346168 /nfs/dbraw/zinc/34/61/68/181346168.db2.gz STXKWQNBJDHDNE-UHFFFAOYSA-N 1 0 228.295 1.119 10 30 BDEERO [NH3+]CC#Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000037570013 181346297 /nfs/dbraw/zinc/34/62/97/181346297.db2.gz RYMNWEOXAMSUAV-UHFFFAOYSA-N 1 0 242.322 1.623 10 30 BDEERO [NH3+]CC#Cc1ccc(CN2CCCC2=O)cc1 ZINC000049587709 181346411 /nfs/dbraw/zinc/34/64/11/181346411.db2.gz HRAQPNFCEOUDKY-UHFFFAOYSA-N 1 0 228.295 1.119 10 30 BDEERO [NH3+]CC#Cc1ccc(CO[C@H]2CCOC2)c(F)c1 ZINC000104102825 181346494 /nfs/dbraw/zinc/34/64/94/181346494.db2.gz GLQPDURMJFUAIN-ZDUSSCGKSA-N 1 0 249.285 1.441 10 30 BDEERO [NH3+]CC#Cc1cccc(COC[C@H]2CCOC2)c1 ZINC000049691111 181346679 /nfs/dbraw/zinc/34/66/79/181346679.db2.gz LXZQAVHCTHHCPY-HNNXBMFYSA-N 1 0 245.322 1.550 10 30 BDEERO [NH3+]CC#Cc1ccccc1OC[C@H]1CCOC1 ZINC000049689763 181348547 /nfs/dbraw/zinc/34/85/47/181348547.db2.gz QSODHXFCDIMRGI-LBPRGKRZSA-N 1 0 231.295 1.412 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384442871 367691029 /nfs/dbraw/zinc/69/10/29/367691029.db2.gz ZGRVUBUXHUURAY-GARJFASQSA-N 1 0 210.321 1.455 10 30 BDEERO CC#CC[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000252723001 367894516 /nfs/dbraw/zinc/89/45/16/367894516.db2.gz SIANRPBAHDWANW-LPEHRKFASA-N 1 0 215.387 1.964 10 30 BDEERO O=C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000054219010 368944964 /nfs/dbraw/zinc/94/49/64/368944964.db2.gz YPPFNYXTZHTHGP-GFCCVEGCSA-N 1 0 204.273 1.493 10 30 BDEERO CC[NH2+][C@H](C)CNc1cccnc1C#N ZINC000387621208 368987388 /nfs/dbraw/zinc/98/73/88/368987388.db2.gz BXEHUGZVCXOVQO-SECBINFHSA-N 1 0 204.277 1.363 10 30 BDEERO C[N@@H+]1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616597771 369099389 /nfs/dbraw/zinc/09/93/89/369099389.db2.gz KKTOPCCZJSBYAG-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO CCOC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054828598 369100344 /nfs/dbraw/zinc/10/03/44/369100344.db2.gz VDNCFLFRVUCUPH-WDEREUQCSA-N 1 0 224.304 1.612 10 30 BDEERO Cc1cc(C#N)cc(NCCC2(C[NH3+])CC2)n1 ZINC000404689024 369433061 /nfs/dbraw/zinc/43/30/61/369433061.db2.gz QTIXAWGNWOKSRA-UHFFFAOYSA-N 1 0 230.315 1.225 10 30 BDEERO N#Cc1cc(N2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000600959386 369577194 /nfs/dbraw/zinc/57/71/94/369577194.db2.gz VOHWGWDJYLZJFI-NSHDSACASA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1c(F)cccc1NCCOCCC[NH3+] ZINC000600955670 369577544 /nfs/dbraw/zinc/57/75/44/369577544.db2.gz PWDSSDSHKLEEIM-UHFFFAOYSA-N 1 0 237.278 1.475 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600958903 369576510 /nfs/dbraw/zinc/57/65/10/369576510.db2.gz SEQDZKZCCSLRRT-GZMMTYOYSA-N 1 0 246.270 1.629 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(C#N)n1 ZINC000600954398 369574881 /nfs/dbraw/zinc/57/48/81/369574881.db2.gz AOWHJYYPYNDDQF-MWLCHTKSSA-N 1 0 230.315 1.236 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1 ZINC000600963714 369579391 /nfs/dbraw/zinc/57/93/91/369579391.db2.gz ZGKHDXMQXXMKFC-MWLCHTKSSA-N 1 0 201.273 1.484 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000600963479 369580751 /nfs/dbraw/zinc/58/07/51/369580751.db2.gz VOEVOACFRIVSPZ-IONNQARKSA-N 1 0 237.253 1.762 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000600960211 369581132 /nfs/dbraw/zinc/58/11/32/369581132.db2.gz BSRQZQLLWTVJBP-CMPLNLGQSA-N 1 0 215.300 1.589 10 30 BDEERO N#Cc1cccc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000600963555 369581204 /nfs/dbraw/zinc/58/12/04/369581204.db2.gz XZVMQFVEZKAARB-XYPYZODXSA-N 1 0 230.315 1.883 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251241572 369744849 /nfs/dbraw/zinc/74/48/49/369744849.db2.gz SWPPVTOCSDDASQ-JHJVBQTASA-N 1 0 249.358 1.621 10 30 BDEERO CC[C@@H]1CN(c2cccnc2C#N)CC[C@H]1[NH3+] ZINC000251878601 369981003 /nfs/dbraw/zinc/98/10/03/369981003.db2.gz VBHMMSLKGCRYGJ-GHMZBOCLSA-N 1 0 230.315 1.517 10 30 BDEERO CC#CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000158432499 326321010 /nfs/dbraw/zinc/32/10/10/326321010.db2.gz RWNVCQGONGWCAR-LBPRGKRZSA-N 1 0 237.299 1.160 10 30 BDEERO N#Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000310368254 370340006 /nfs/dbraw/zinc/34/00/06/370340006.db2.gz MWAKQIKOMIWPNC-KOLCDFICSA-N 1 0 231.303 1.278 10 30 BDEERO C=C(CC)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000313499018 370591217 /nfs/dbraw/zinc/59/12/17/370591217.db2.gz NRQNGQLHMARWCQ-GFCCVEGCSA-N 1 0 239.315 1.713 10 30 BDEERO CC[C@@H]1CN(c2cc(C#N)cc(C)n2)CC[C@@H]1[NH3+] ZINC000161781195 371563484 /nfs/dbraw/zinc/56/34/84/371563484.db2.gz GMHCZDJLEQAPQU-OLZOCXBDSA-N 1 0 244.342 1.825 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000162332608 371660545 /nfs/dbraw/zinc/66/05/45/371660545.db2.gz MDRJGXKPWOGKGB-NEPJUHHUSA-N 1 0 238.331 1.200 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(F)cc2C#N)CCO1 ZINC000132968959 371960884 /nfs/dbraw/zinc/96/08/84/371960884.db2.gz DUYZBMPFBDHFNS-RNCFNFMXSA-N 1 0 249.289 1.250 10 30 BDEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(C#N)cc2F)CCO1 ZINC000132985018 371964249 /nfs/dbraw/zinc/96/42/49/371964249.db2.gz HAGJBFNBARIRBX-TVQRCGJNSA-N 1 0 249.289 1.250 10 30 BDEERO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000228360975 372020827 /nfs/dbraw/zinc/02/08/27/372020827.db2.gz HHTCDWUGNMISNC-VXGBXAGGSA-N 1 0 237.347 1.573 10 30 BDEERO N[NH+]=C(N)Cc1c(Cl)cccc1Cl ZINC000059329732 372165536 /nfs/dbraw/zinc/16/55/36/372165536.db2.gz OZAQCARIMDXRGT-UHFFFAOYSA-N 1 0 218.087 1.767 10 30 BDEERO OCC[N@@H+]1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000095078898 183076318 /nfs/dbraw/zinc/07/63/18/183076318.db2.gz WPEUWJSWHVVIJU-MNOVXSKESA-N 1 0 215.362 1.401 10 30 BDEERO CCC[NH+]1CCC(C#N)(NCC(F)(F)F)CC1 ZINC000037970892 169186058 /nfs/dbraw/zinc/18/60/58/169186058.db2.gz IOFDXXLJNYZJFE-UHFFFAOYSA-N 1 0 249.280 1.906 10 30 BDEERO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828227 169216752 /nfs/dbraw/zinc/21/67/52/169216752.db2.gz UZEWBWGIDUAVTD-NEPJUHHUSA-N 1 0 237.347 1.575 10 30 BDEERO CCCNC1(C#N)CC[NH+](C(C)C)CC1 ZINC000020380475 169254379 /nfs/dbraw/zinc/25/43/79/169254379.db2.gz RAIKMNNUECMDNO-UHFFFAOYSA-N 1 0 209.337 1.753 10 30 BDEERO CCC[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000037570097 169369158 /nfs/dbraw/zinc/36/91/58/169369158.db2.gz FHWJGAQCFWCHFL-GFCCVEGCSA-N 1 0 244.338 1.915 10 30 BDEERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000038012759 384059349 /nfs/dbraw/zinc/05/93/49/384059349.db2.gz RFVTWSBMUHSDRR-LLVKDONJSA-N 1 0 245.326 1.539 10 30 BDEERO CNC(=[NH+]N)c1cccc(C)c1Br ZINC000234515119 384196171 /nfs/dbraw/zinc/19/61/71/384196171.db2.gz OCCMROBSIKLDNQ-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1ncccc1C#N ZINC000336646085 384245541 /nfs/dbraw/zinc/24/55/41/384245541.db2.gz DQACVNIYENVEMY-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@H](C)CC[NH3+])n1 ZINC000336679058 384252122 /nfs/dbraw/zinc/25/21/22/384252122.db2.gz XAJYUBSJYGPOSD-SECBINFHSA-N 1 0 218.304 1.719 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@@H](C)C[NH3+])n1 ZINC000082576316 384399745 /nfs/dbraw/zinc/39/97/45/384399745.db2.gz XRJHOEITNUHLOV-VIFPVBQESA-N 1 0 204.277 1.329 10 30 BDEERO CO/N=C1/CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC000095937435 384416985 /nfs/dbraw/zinc/41/69/85/384416985.db2.gz BYLXNOZAJGVNQA-SSZFMOIBSA-N 1 0 245.326 1.094 10 30 BDEERO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H](C)[NH3+] ZINC000336100034 384490173 /nfs/dbraw/zinc/49/01/73/384490173.db2.gz ZCUJNYJORVICTR-NKWVEPMBSA-N 1 0 225.242 1.984 10 30 BDEERO N[NH+]=C(NCc1ccccc1)NC1CCCCC1 ZINC000156780860 384783307 /nfs/dbraw/zinc/78/33/07/384783307.db2.gz LWWLVHACBJGARE-UHFFFAOYSA-N 1 0 246.358 1.928 10 30 BDEERO C#CC[N@@H+](C)Cc1cc2cc(O)ccc2n1C ZINC000013807941 384872758 /nfs/dbraw/zinc/87/27/58/384872758.db2.gz HFMZYVHURLNZFT-UHFFFAOYSA-N 1 0 228.295 1.949 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000177462247 385246206 /nfs/dbraw/zinc/24/62/06/385246206.db2.gz AFIKQRVWQHLVAE-JTQLQIEISA-N 1 0 249.339 1.396 10 30 BDEERO Cc1cc(N(C)[C@H](C)C[NH3+])cc(C#N)n1 ZINC000308246014 385413215 /nfs/dbraw/zinc/41/32/15/385413215.db2.gz UUHNKBKOQKJGJJ-SECBINFHSA-N 1 0 204.277 1.045 10 30 BDEERO CC[NH2+]CCNc1cc(C)nc(C#N)c1 ZINC000308245352 385413321 /nfs/dbraw/zinc/41/33/21/385413321.db2.gz RMCVSWJIRYBCIN-UHFFFAOYSA-N 1 0 204.277 1.283 10 30 BDEERO Cc1cc(N2CC[NH2+][C@@H](C)C2)cc(C#N)n1 ZINC000308241456 385413817 /nfs/dbraw/zinc/41/38/17/385413817.db2.gz PQUICNLRPUOJLR-JTQLQIEISA-N 1 0 216.288 1.060 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000119244932 385622252 /nfs/dbraw/zinc/62/22/52/385622252.db2.gz ZMGHIIIMQXGBQN-CQSZACIVSA-N 1 0 246.358 1.630 10 30 BDEERO CC#CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000119249733 385622289 /nfs/dbraw/zinc/62/22/89/385622289.db2.gz XYFQWVKGPSRDNI-UHFFFAOYSA-N 1 0 217.316 1.618 10 30 BDEERO C=C[C@](C)(CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188384069 385695302 /nfs/dbraw/zinc/69/53/02/385695302.db2.gz BIBMQOBFBWRRKH-TZMCWYRMSA-N 1 0 236.359 1.895 10 30 BDEERO C[C@@H]1C[N@@H+](CC[C@H]2CO2)C[C@H](C)S1 ZINC000307058397 385885013 /nfs/dbraw/zinc/88/50/13/385885013.db2.gz FXXWZDNWNPXQOX-AEJSXWLSSA-N 1 0 201.335 1.601 10 30 BDEERO N#Cc1ccnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000231903606 385878338 /nfs/dbraw/zinc/87/83/38/385878338.db2.gz JCENPTWQPQERCC-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1ccncc1C#N ZINC000398981774 386319725 /nfs/dbraw/zinc/31/97/25/386319725.db2.gz GJAQJYHOMCRRFM-SNVBAGLBSA-N 1 0 218.304 1.305 10 30 BDEERO Cc1cc(N[C@@H](C)CCC[NH3+])c(C#N)cn1 ZINC000398992532 386408901 /nfs/dbraw/zinc/40/89/01/386408901.db2.gz MEWZXVBCENBSHN-VIFPVBQESA-N 1 0 218.304 1.223 10 30 BDEERO Cc1cc(NCC2(C)CC[NH2+]CC2)c(C#N)cn1 ZINC000399013252 386550377 /nfs/dbraw/zinc/55/03/77/386550377.db2.gz ZLTSYZQYYPZOSH-UHFFFAOYSA-N 1 0 244.342 1.485 10 30 BDEERO N#CCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398748648 386985969 /nfs/dbraw/zinc/98/59/69/386985969.db2.gz UVFITEQYRQMOQX-AVGNSLFASA-N 1 0 222.332 1.773 10 30 BDEERO C=C[C@H]([NH3+])c1c(Br)cnn1C ZINC000575458235 387024962 /nfs/dbraw/zinc/02/49/62/387024962.db2.gz JOZMFIMEPYLTTD-LURJTMIESA-N 1 0 216.082 1.368 10 30 BDEERO C=CCCC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187261863 387184966 /nfs/dbraw/zinc/18/49/66/387184966.db2.gz KDMISNIJJIDFPT-UHFFFAOYSA-N 1 0 234.347 1.806 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cccc(C#N)n1 ZINC000094460873 387283226 /nfs/dbraw/zinc/28/32/26/387283226.db2.gz NJGFYZQOULRQLW-DGCLKSJQSA-N 1 0 242.326 1.626 10 30 BDEERO C[C@@H]1C[C@@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575513099 387385305 /nfs/dbraw/zinc/38/53/05/387385305.db2.gz ZHEMFRJBCDWJDG-OCCSQVGLSA-N 1 0 229.327 1.810 10 30 BDEERO N#Cc1cc(C[NH3+])ncc1OC(F)(F)F ZINC000238633656 387886236 /nfs/dbraw/zinc/88/62/36/387886236.db2.gz XYMDYEXNKGFRBK-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000236138683 388378207 /nfs/dbraw/zinc/37/82/07/388378207.db2.gz JSMHYEIFCUUFOT-RKDXNWHRSA-N 1 0 218.247 1.550 10 30 BDEERO CC(C)[NH2+]CCCNc1cnccc1C#N ZINC000519532652 388666085 /nfs/dbraw/zinc/66/60/85/388666085.db2.gz DYHMLUHZMKXYIV-UHFFFAOYSA-N 1 0 218.304 1.753 10 30 BDEERO CN(C[C@@H]1CCC[NH2+]C1)c1ncccc1C#N ZINC000095071090 388757528 /nfs/dbraw/zinc/75/75/28/388757528.db2.gz FDDSXMDFJVGWFC-LLVKDONJSA-N 1 0 230.315 1.389 10 30 BDEERO CC[C@@H]([NH3+])CNc1nc(C)ccc1C#N ZINC000082579466 388728605 /nfs/dbraw/zinc/72/86/05/388728605.db2.gz KNOHTQLFXFAZGL-SNVBAGLBSA-N 1 0 204.277 1.411 10 30 BDEERO C#C[C@H](CC)NC(=[NH2+])Nc1ccccc1COC ZINC000262487325 533299020 /nfs/dbraw/zinc/29/90/20/533299020.db2.gz FNAJDHMLHGATQB-GFCCVEGCSA-N 1 0 245.326 1.971 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@@H]1CCO[C@H]1C(C)C ZINC000261688394 533511429 /nfs/dbraw/zinc/51/14/29/533511429.db2.gz ROGNMGTYZOPXAR-RYUDHWBXSA-N 1 0 239.363 1.528 10 30 BDEERO Cc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1C#N ZINC000250860865 132303581 /nfs/dbraw/zinc/30/35/81/132303581.db2.gz BWSDRTBTLRNDNL-LBPRGKRZSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1ccccc1N1CCC[C@@H](C[NH3+])C1 ZINC000044531771 132354339 /nfs/dbraw/zinc/35/43/39/132354339.db2.gz HSHDNXJFXNSCTQ-NSHDSACASA-N 1 0 215.300 1.733 10 30 BDEERO N#Cc1ccnc(N2CCC[C@@H](C[NH3+])C2)c1 ZINC000044531794 132354473 /nfs/dbraw/zinc/35/44/73/132354473.db2.gz LXLWYFUXDNITSW-NSHDSACASA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1ccc(N2CCC[C@@H](C[NH3+])C2)nc1 ZINC000044532026 132354485 /nfs/dbraw/zinc/35/44/85/132354485.db2.gz SQAOVIMXQAZATH-NSHDSACASA-N 1 0 216.288 1.128 10 30 BDEERO C=C(C)CN(C)C(=O)[C@@H](CCC)[NH+](C)C ZINC000183063648 134350556 /nfs/dbraw/zinc/35/05/56/134350556.db2.gz RHYLVNWPLXYQGM-LLVKDONJSA-N 1 0 212.337 1.751 10 30 BDEERO CCC[C@H](C(=O)N[C@H](CC)CC#N)[NH+](C)C ZINC000183901252 134357465 /nfs/dbraw/zinc/35/74/65/134357465.db2.gz WBKVZRFTYDAWIJ-GHMZBOCLSA-N 1 0 225.336 1.525 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000063171668 134523929 /nfs/dbraw/zinc/52/39/29/134523929.db2.gz NMPRXYJGZIRXSD-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251748414 135076186 /nfs/dbraw/zinc/07/61/86/135076186.db2.gz QQJVDQXRXDLLLC-WOPDTQHZSA-N 1 0 218.304 1.553 10 30 BDEERO C[C@H](C#N)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661902 135094076 /nfs/dbraw/zinc/09/40/76/135094076.db2.gz RFKVDGSQQIZBDZ-IJLUTSLNSA-N 1 0 235.331 1.231 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000259087811 135136816 /nfs/dbraw/zinc/13/68/16/135136816.db2.gz DJHFPAYCPZRERL-LBPRGKRZSA-N 1 0 219.332 1.460 10 30 BDEERO Cc1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1C#N ZINC000261586800 135227851 /nfs/dbraw/zinc/22/78/51/135227851.db2.gz UPDAHYLCRDZFHQ-GFCCVEGCSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261589765 135230509 /nfs/dbraw/zinc/23/05/09/135230509.db2.gz WMMHKECWZQESEG-GFCCVEGCSA-N 1 0 244.342 1.825 10 30 BDEERO CC1(C)CN(c2ccc(C#N)nc2)CC[C@@H]1[NH3+] ZINC000261546577 135238342 /nfs/dbraw/zinc/23/83/42/135238342.db2.gz HBCNJDQIJNMRIC-LBPRGKRZSA-N 1 0 230.315 1.517 10 30 BDEERO C=CCNC(=[NH+]C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261717309 135247340 /nfs/dbraw/zinc/24/73/40/135247340.db2.gz KNKRKBPAVYRCHL-TXEJJXNPSA-N 1 0 221.348 1.870 10 30 BDEERO CN/C(=[NH+]\C)N(C)Cc1csc(C)n1 ZINC000261735405 135249287 /nfs/dbraw/zinc/24/92/87/135249287.db2.gz LZAXYUHJMCJRTR-UHFFFAOYSA-N 1 0 212.322 1.089 10 30 BDEERO C=C(C)CNC(=[NH2+])NCc1cc(C)nc(C)n1 ZINC000261870654 135259170 /nfs/dbraw/zinc/25/91/70/135259170.db2.gz OSNLKTUMWWMEGG-UHFFFAOYSA-N 1 0 233.319 1.074 10 30 BDEERO CCNC(=[NH2+])N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261952117 135266094 /nfs/dbraw/zinc/26/60/94/135266094.db2.gz HSCLPYRZEFJARW-LLVKDONJSA-N 1 0 249.362 1.246 10 30 BDEERO C[C@H]1CN(C(=[NH2+])NC2C(C)(C)C2(C)C)CCO1 ZINC000262434868 135297241 /nfs/dbraw/zinc/29/72/41/135297241.db2.gz FXLSCQJHBJOZKJ-VIFPVBQESA-N 1 0 239.363 1.456 10 30 BDEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(C(F)F)CC1 ZINC000262378666 135298088 /nfs/dbraw/zinc/29/80/88/135298088.db2.gz NLNHDMYNGOQCKJ-QMMMGPOBSA-N 1 0 247.289 1.115 10 30 BDEERO CCCNC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262399288 135299762 /nfs/dbraw/zinc/29/97/62/135299762.db2.gz NJDPUHFUVCUBKQ-SNVBAGLBSA-N 1 0 237.278 1.574 10 30 BDEERO C[C@H]1C[NH+]=C(NCC2(C(F)(F)F)CCC2)N1 ZINC000262472219 135301225 /nfs/dbraw/zinc/30/12/25/135301225.db2.gz BIZMWURJYLIFNR-ZETCQYMHSA-N 1 0 235.253 1.656 10 30 BDEERO CNC(NC[C@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262612869 135308799 /nfs/dbraw/zinc/30/87/99/135308799.db2.gz BBRGOWTZIGBHJJ-LURJTMIESA-N 1 0 247.751 1.230 10 30 BDEERO C[C@H]1C[NH+]=C(NCCc2cccc(C#N)c2)N1 ZINC000262660985 135312020 /nfs/dbraw/zinc/31/20/20/135312020.db2.gz MXNUKJVDLBDNGI-JTQLQIEISA-N 1 0 228.299 1.038 10 30 BDEERO CN1CCC[NH+]=C1NC[C@@H]1CC12CCOCC2 ZINC000263052883 135329978 /nfs/dbraw/zinc/32/99/78/135329978.db2.gz DPNXSAXAQMBPOH-NSHDSACASA-N 1 0 237.347 1.084 10 30 BDEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])N1CCC1 ZINC000263210604 135339922 /nfs/dbraw/zinc/33/99/22/135339922.db2.gz YZMROKRMIZAKIL-PWSUYJOCSA-N 1 0 209.337 1.832 10 30 BDEERO CCSCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000164516355 135387079 /nfs/dbraw/zinc/38/70/79/135387079.db2.gz KSYXUWPNPIAFKK-SECBINFHSA-N 1 0 231.365 1.340 10 30 BDEERO CCSCC[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000164516485 135387496 /nfs/dbraw/zinc/38/74/96/135387496.db2.gz KSYXUWPNPIAFKK-VIFPVBQESA-N 1 0 231.365 1.340 10 30 BDEERO N#Cc1ccc(CN[C@@H]2CC[NH2+]C2)cc1F ZINC000335028860 135406966 /nfs/dbraw/zinc/40/69/66/135406966.db2.gz ZIQLYUMUGFQTPL-LLVKDONJSA-N 1 0 219.263 1.149 10 30 BDEERO CCc1nn(C)cc1CNC(=[NH2+])NC(C)(C)C ZINC000092854229 135511572 /nfs/dbraw/zinc/51/15/72/135511572.db2.gz AOFUYXSGTYWBFO-UHFFFAOYSA-N 1 0 237.351 1.185 10 30 BDEERO C#CC[N@@H+](C)[C@H](C)Cc1ccc(N)cc1 ZINC000065734215 166161438 /nfs/dbraw/zinc/16/14/38/166161438.db2.gz XXFSWRABMGXENS-LLVKDONJSA-N 1 0 202.301 1.765 10 30 in-vitro BDEERO C#CC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000020084761 166191026 /nfs/dbraw/zinc/19/10/26/166191026.db2.gz VAPMBCMAUJWVGU-JTQLQIEISA-N 1 0 228.299 1.630 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccccc1 ZINC000083357533 166206730 /nfs/dbraw/zinc/20/67/30/166206730.db2.gz UWAHKXSDCXKNRS-AAEUAGOBSA-N 1 0 230.311 1.257 10 30 BDEERO C(#Cc1ccccc1)C[NH2+][C@H]1CN2CCC1CC2 ZINC000051814081 166224939 /nfs/dbraw/zinc/22/49/39/166224939.db2.gz FULQQMWKVAHCBL-INIZCTEOSA-N 1 0 240.350 1.722 10 30 BDEERO C(#Cc1ccccc1)CO[C@@H]1CC[NH2+]C1 ZINC000051814624 166225188 /nfs/dbraw/zinc/22/51/88/166225188.db2.gz BREHBCYQPYQAOC-CYBMUJFWSA-N 1 0 201.269 1.417 10 30 BDEERO C=CCN(Cc1cc(C)ccc1OC)C(=O)C[NH3+] ZINC000076633892 166346289 /nfs/dbraw/zinc/34/62/89/166346289.db2.gz KRMXDPDMDODFRP-UHFFFAOYSA-N 1 0 248.326 1.477 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCOc1ccccc1 ZINC000048777059 166388243 /nfs/dbraw/zinc/38/82/43/166388243.db2.gz RANSZIRNRRIXBK-LBPRGKRZSA-N 1 0 248.326 1.346 10 30 BDEERO C=CCNC(=O)[C@H](C)OCC[C@H]1CCC[NH2+]C1 ZINC000051917372 166388616 /nfs/dbraw/zinc/38/86/16/166388616.db2.gz GHGNCMLHCBIJQA-NWDGAFQWSA-N 1 0 240.347 1.083 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000020033680 166399788 /nfs/dbraw/zinc/39/97/88/166399788.db2.gz IFZFXVUGGHPHPD-UHFFFAOYSA-N 1 0 220.272 1.409 10 30 BDEERO CC(C)[NH2+]CCNC(=O)Nc1ccc(C#N)cc1 ZINC000054266113 167106873 /nfs/dbraw/zinc/10/68/73/167106873.db2.gz ZXSQHMYDWRDQTO-UHFFFAOYSA-N 1 0 246.314 1.678 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000044825960 167340588 /nfs/dbraw/zinc/34/05/88/167340588.db2.gz PKZIJNMEPFZZHJ-GHMZBOCLSA-N 1 0 225.336 1.239 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1cccnc1C#N ZINC000133580804 411185874 /nfs/dbraw/zinc/18/58/74/411185874.db2.gz UHVIRHNWMXPIJX-NSHDSACASA-N 1 0 232.331 1.763 10 30 BDEERO CC1CCC(C#N)(N2CCC[NH2+]CC2)CC1 ZINC000037940449 168149026 /nfs/dbraw/zinc/14/90/26/168149026.db2.gz ZEMFWNYJVAHXDR-UHFFFAOYSA-N 1 0 221.348 1.754 10 30 BDEERO CCC(=O)Nc1cc(C#CC[NH3+])ccc1C ZINC000037471250 168242417 /nfs/dbraw/zinc/24/24/17/168242417.db2.gz VHYAQZDTBQDNCG-UHFFFAOYSA-N 1 0 216.284 1.654 10 30 BDEERO CC[N@@H+]1CC[C@H](CNc2ncc(N)cc2C#N)C1 ZINC000037759198 170016962 /nfs/dbraw/zinc/01/69/62/170016962.db2.gz MRQMXAMYUBVJNG-SNVBAGLBSA-N 1 0 245.330 1.289 10 30 BDEERO CC[NH2+]CC(=O)N(C)c1cccc(C#N)c1 ZINC000061980838 170109127 /nfs/dbraw/zinc/10/91/27/170109127.db2.gz RCUKDFSCMRONAA-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO CC[NH2+]CCCNc1nc(C)cc(C)c1C#N ZINC000038043424 170112653 /nfs/dbraw/zinc/11/26/53/170112653.db2.gz KPPZZEVPGIUYLQ-UHFFFAOYSA-N 1 0 232.331 1.982 10 30 BDEERO Cc1nc(NCCOCCC[NH3+])ccc1C#N ZINC000600955669 411748875 /nfs/dbraw/zinc/74/88/75/411748875.db2.gz PVMAINITGZJOSY-UHFFFAOYSA-N 1 0 234.303 1.039 10 30 BDEERO CC[C@@](C)(C=O)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000062969786 171163525 /nfs/dbraw/zinc/16/35/25/171163525.db2.gz AHPJMJVUUNYITM-UONOGXRCSA-N 1 0 238.375 1.772 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H](C)C#N ZINC000038014496 171322914 /nfs/dbraw/zinc/32/29/14/171322914.db2.gz AICYZLVFEFFIBY-ZJUUUORDSA-N 1 0 211.309 1.040 10 30 BDEERO CC[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037569860 171337459 /nfs/dbraw/zinc/33/74/59/171337459.db2.gz IBHUGGSVICKJHB-NSHDSACASA-N 1 0 230.311 1.525 10 30 BDEERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C#N)c1 ZINC000037748657 171371434 /nfs/dbraw/zinc/37/14/34/171371434.db2.gz CIASJVKNBGTQMC-GXFFZTMASA-N 1 0 245.326 1.548 10 30 BDEERO C[C@H]1CC[C@H](Nc2ccc(C#N)cn2)C[NH2+]1 ZINC000600955677 412262064 /nfs/dbraw/zinc/26/20/64/412262064.db2.gz QFIHIBNAFZBZDL-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662631426 412250176 /nfs/dbraw/zinc/25/01/76/412250176.db2.gz SXSGRIFTAWSMMX-FRRDWIJNSA-N 1 0 236.359 1.929 10 30 BDEERO C=CCN(C(=O)[C@@H]([NH3+])CCC)[C@@H](C)COC ZINC000662855970 412325350 /nfs/dbraw/zinc/32/53/50/412325350.db2.gz XKXYDEDXKGCSMI-QWRGUYRKSA-N 1 0 228.336 1.163 10 30 BDEERO CC[C@]1(C(=O)N(C)C[C@H](C)C#N)CCC[NH2+]C1 ZINC000062857646 171710595 /nfs/dbraw/zinc/71/05/95/171710595.db2.gz MZUBDAMMEUGJIB-YPMHNXCESA-N 1 0 237.347 1.384 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000662954590 412354017 /nfs/dbraw/zinc/35/40/17/412354017.db2.gz XASNPJWLHBNPRU-JTQLQIEISA-N 1 0 210.321 1.457 10 30 BDEERO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000061980547 172333516 /nfs/dbraw/zinc/33/35/16/172333516.db2.gz KBCRTHRPLUMTJU-GFCCVEGCSA-N 1 0 229.283 1.273 10 30 BDEERO CN(C(=O)c1ccc(C#CC[NH3+])s1)C1CC1 ZINC000040234356 172339311 /nfs/dbraw/zinc/33/93/11/172339311.db2.gz VYFYHIINTDMLHZ-UHFFFAOYSA-N 1 0 234.324 1.293 10 30 BDEERO CN1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545623 173123388 /nfs/dbraw/zinc/12/33/88/173123388.db2.gz ZGJUYPUWMSUJFA-CYBMUJFWSA-N 1 0 245.326 1.383 10 30 BDEERO CN(Cc1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189102 173142962 /nfs/dbraw/zinc/14/29/62/173142962.db2.gz SZZOAFGEOWRXGH-HNNXBMFYSA-N 1 0 243.354 1.942 10 30 BDEERO C[NH2+]CCCC(=O)NCc1ccc(C#N)cc1 ZINC000037748595 173344418 /nfs/dbraw/zinc/34/44/18/173344418.db2.gz GPTJMXPZLNVKIK-UHFFFAOYSA-N 1 0 231.299 1.174 10 30 BDEERO C[NH2+]C[C@@H](C)Oc1nc(C)ccc1C#N ZINC000051867936 173365078 /nfs/dbraw/zinc/36/50/78/173365078.db2.gz QHWVBANKCCZLHW-SECBINFHSA-N 1 0 205.261 1.248 10 30 BDEERO C[NH2+]C[C@@H](C)Oc1ccc(C#N)cc1F ZINC000051867696 173365238 /nfs/dbraw/zinc/36/52/38/173365238.db2.gz WYKHFSWMPUJYEY-MRVPVSSYSA-N 1 0 208.236 1.684 10 30 BDEERO COCCOCC[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054827921 174358894 /nfs/dbraw/zinc/35/88/94/174358894.db2.gz HFYUFCYBOWVDKI-CHWSQXEVSA-N 1 0 240.347 1.711 10 30 BDEERO COc1ccc(CNC(=[NH2+])c2ccccc2)cn1 ZINC000062994231 175083461 /nfs/dbraw/zinc/08/34/61/175083461.db2.gz KWQMYEQMHQWZOZ-UHFFFAOYSA-N 1 0 241.294 1.996 10 30 BDEERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)CCC#N)c1 ZINC000043026034 175296130 /nfs/dbraw/zinc/29/61/30/175296130.db2.gz WDHZEQBBPJGIGO-FZMZJTMJSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000336690557 175673283 /nfs/dbraw/zinc/67/32/83/175673283.db2.gz HHZFXTISYSGNBF-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(CC#N)CC#N ZINC000043042758 175810467 /nfs/dbraw/zinc/81/04/67/175810467.db2.gz UTUFLQNFYQSXMJ-MFKMUULPSA-N 1 0 246.289 1.563 10 30 BDEERO C[C@@H](Oc1ccccc1/C=N\O)C1=[NH+]CCN1 ZINC000100557725 176005513 /nfs/dbraw/zinc/00/55/13/176005513.db2.gz JDVBCCBWSXJBJH-VMSYHEBLSA-N 1 0 233.271 1.264 10 30 BDEERO C[C@@H]1CCCC[C@@]1(C#N)NCC[NH+](C)C ZINC000037940680 176083409 /nfs/dbraw/zinc/08/34/09/176083409.db2.gz GYWXDRQTJQPXJA-NEPJUHHUSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NCCC#N ZINC000042862886 176084602 /nfs/dbraw/zinc/08/46/02/176084602.db2.gz AZQPJODJHICYKA-NEPJUHHUSA-N 1 0 237.347 1.432 10 30 BDEERO C[C@@H]1CN(Cc2cccnc2C#N)CC[N@@H+]1C ZINC000104132162 176308245 /nfs/dbraw/zinc/30/82/45/176308245.db2.gz XRYSUDDAGSNHIF-LLVKDONJSA-N 1 0 230.315 1.089 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(C#N)CC1 ZINC000336488407 176323382 /nfs/dbraw/zinc/32/33/82/176323382.db2.gz MFLBMKFUXGTBJV-VXGBXAGGSA-N 1 0 219.332 1.459 10 30 BDEERO C[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1F ZINC000054374217 176327132 /nfs/dbraw/zinc/32/71/32/176327132.db2.gz PWYVNROBMNWXBR-SNVBAGLBSA-N 1 0 233.290 1.491 10 30 BDEERO C[C@@H]1C[C@@H](Nc2nccc(C#N)n2)C[N@@H+]1C1CC1 ZINC000297612454 176380269 /nfs/dbraw/zinc/38/02/69/176380269.db2.gz VRLJUTWZZZVJGD-MWLCHTKSSA-N 1 0 243.314 1.385 10 30 BDEERO C[C@@H]1C[C@@H]1C(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586294 176386918 /nfs/dbraw/zinc/38/69/18/176386918.db2.gz KVLIWSNHMPIVSL-RISCZKNCSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCC#N ZINC000338998405 177280413 /nfs/dbraw/zinc/28/04/13/177280413.db2.gz SNBODUHZAPRYPU-QWHCGFSZSA-N 1 0 237.347 1.085 10 30 BDEERO Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308237593 229420668 /nfs/dbraw/zinc/42/06/68/229420668.db2.gz HGTLIERMDHRPAA-HZMBPMFUSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064330 262774857 /nfs/dbraw/zinc/77/48/57/262774857.db2.gz KGYBTRZGWVCCTP-ZYHUDNBSSA-N 1 0 230.315 1.223 10 30 BDEERO N#Cc1ccc(C[NH2+]CC2CC(O)C2)cc1F ZINC000404062403 323104758 /nfs/dbraw/zinc/10/47/58/323104758.db2.gz MQNUMOYJFBFZEB-UHFFFAOYSA-N 1 0 234.274 1.558 10 30 BDEERO CCC(C#N)(CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000110250215 323115283 /nfs/dbraw/zinc/11/52/83/323115283.db2.gz RKEIDWAHHKDGFU-LLVKDONJSA-N 1 0 237.347 1.479 10 30 BDEERO Cc1nc(N2CCC(CC[NH3+])CC2)ccc1C#N ZINC000310973825 325079189 /nfs/dbraw/zinc/07/91/89/325079189.db2.gz DUHVRRFRNOOSKW-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO C=CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131268237 325132600 /nfs/dbraw/zinc/13/26/00/325132600.db2.gz NDOAQQDKQWUETN-NSHDSACASA-N 1 0 222.332 1.553 10 30 BDEERO COC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000309467047 487971566 /nfs/dbraw/zinc/97/15/66/487971566.db2.gz PRHOCFJEFYOPFO-LLVKDONJSA-N 1 0 221.275 1.802 10 30 BDEERO C=CCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000168548062 487519367 /nfs/dbraw/zinc/51/93/67/487519367.db2.gz VFYIASIAWICYRO-UHFFFAOYSA-N 1 0 209.293 1.403 10 30 BDEERO C=C(C)C[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000309416738 491148950 /nfs/dbraw/zinc/14/89/50/491148950.db2.gz CUMVPPNATFVMPK-UHFFFAOYSA-N 1 0 222.336 1.460 10 30 BDEERO C=CCCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261922503 534652924 /nfs/dbraw/zinc/65/29/24/534652924.db2.gz VDUGYKQLNFDJND-LLVKDONJSA-N 1 0 224.348 1.929 10 30 BDEERO CC(C)(C)NC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262858633 534661884 /nfs/dbraw/zinc/66/18/84/534661884.db2.gz YREUJPJGDDKDGE-JTQLQIEISA-N 1 0 239.363 1.506 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000183052556 534750140 /nfs/dbraw/zinc/75/01/40/534750140.db2.gz ILPRHRFYJNRCHM-MNOVXSKESA-N 1 0 212.337 1.975 10 30 BDEERO C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000259958482 536334659 /nfs/dbraw/zinc/33/46/59/536334659.db2.gz SGGNGOWRTXDNHF-RYUDHWBXSA-N 1 0 235.331 1.137 10 30 BDEERO CN1CCC[NH+]=C1NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263102112 536361071 /nfs/dbraw/zinc/36/10/71/536361071.db2.gz KBGXGGATDXPHGR-FRRDWIJNSA-N 1 0 233.359 1.870 10 30 BDEERO CCCC[C@@]([N+]#N)(NC(C)=O)C(=O)OC ZINC000001529863 560181185 /nfs/dbraw/zinc/18/11/85/560181185.db2.gz RTAWYPPHIMOINL-VIFPVBQESA-O 1 0 214.245 1.035 10 30 in-vitro BDEERO CCCO/N=C\[C@H](O)C[NH2+]C(C)(C)C ZINC000036459602 581093860 /nfs/dbraw/zinc/09/38/60/581093860.db2.gz SMJOAFHPQBEWCA-ZPBHHCQCSA-N 1 0 202.298 1.148 10 30 BDEERO COC1CC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000234687650 631662478 /nfs/dbraw/zinc/66/24/78/631662478.db2.gz UANQEDUFEZMIQT-JXQTWKCFSA-N 1 0 246.310 1.359 10 30 BDEERO C#CCOc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000091524324 632048904 /nfs/dbraw/zinc/04/89/04/632048904.db2.gz OZUDIGQZRDFNSU-UHFFFAOYSA-N 1 0 245.322 1.559 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1OCCO1 ZINC000308884242 632079622 /nfs/dbraw/zinc/07/96/22/632079622.db2.gz RSVZKSZWMKOMLD-VHSXEESVSA-N 1 0 210.277 1.031 10 30 BDEERO CC(=O)[C@@H]1CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000309127868 632642208 /nfs/dbraw/zinc/64/22/08/632642208.db2.gz ANZCIYAJPOGKCH-CMPLNLGQSA-N 1 0 224.304 1.216 10 30 BDEERO C[C@H]1CN(c2nc(Cl)c(C#N)s2)CC[NH2+]1 ZINC000235706265 632817857 /nfs/dbraw/zinc/81/78/57/632817857.db2.gz OHGRTSGUHSZAQE-LURJTMIESA-N 1 0 242.735 1.466 10 30 BDEERO N#Cc1sc(NC[C@H]2CCC[NH2+]2)nc1Cl ZINC000236042127 632867976 /nfs/dbraw/zinc/86/79/76/632867976.db2.gz TVAIJQIUHBUMIZ-ZCFIWIBFSA-N 1 0 242.735 1.832 10 30 BDEERO C[C@H]([NH3+])CN(C)c1nc2ccccc2cc1C#N ZINC000311158437 633075927 /nfs/dbraw/zinc/07/59/27/633075927.db2.gz PALDURDKLYGXPJ-JTQLQIEISA-N 1 0 240.310 1.890 10 30 BDEERO CC(C)(CO)[NH2+]Cc1ccc(F)cc1C#N ZINC000067486085 636139513 /nfs/dbraw/zinc/13/95/13/636139513.db2.gz WPMXIDWUGCBLJC-UHFFFAOYSA-N 1 0 222.263 1.558 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000306186034 636335292 /nfs/dbraw/zinc/33/52/92/636335292.db2.gz IUUBVEGWUYEIMB-SCZZXKLOSA-N 1 0 247.180 1.777 10 30 BDEERO C=C(Br)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000306186036 636336100 /nfs/dbraw/zinc/33/61/00/636336100.db2.gz IUUBVEGWUYEIMB-WPRPVWTQSA-N 1 0 247.180 1.777 10 30 BDEERO C=C(Cl)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000167939631 640764711 /nfs/dbraw/zinc/76/47/11/640764711.db2.gz AXIIBFSVMSRXSA-SECBINFHSA-N 1 0 216.712 1.245 10 30 BDEERO C=C(Cl)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227806896 640849123 /nfs/dbraw/zinc/84/91/23/640849123.db2.gz DKJYBLYXTWAFOK-IONNQARKSA-N 1 0 217.696 1.480 10 30 BDEERO N#CCCCCN1CCC[C@@]12CC[NH2+]C2 ZINC000757135573 643275142 /nfs/dbraw/zinc/27/51/42/643275142.db2.gz VNWXFCXEDICLOZ-LBPRGKRZSA-N 1 0 207.321 1.508 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1C[C@H](C)C[C@H](C)C1 ZINC000073068283 643372605 /nfs/dbraw/zinc/37/26/05/643372605.db2.gz RWAPGUZPGCFZDO-WHOHXGKFSA-N 1 0 223.364 1.948 10 30 BDEERO CC[NH+]=C(NCC1(O)CCC1)N[C@@H](C)C(C)C ZINC000086118857 643916682 /nfs/dbraw/zinc/91/66/82/643916682.db2.gz LTQHHHGUYNFFIJ-NSHDSACASA-N 1 0 241.379 1.501 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCCC1 ZINC000081722265 644338898 /nfs/dbraw/zinc/33/88/98/644338898.db2.gz ZOKREYTUJIZSQQ-RYUDHWBXSA-N 1 0 239.363 1.209 10 30 BDEERO CCCCCCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000705954051 712138401 /nfs/dbraw/zinc/13/84/01/712138401.db2.gz OGWSSNUYPIKXKN-VXGBXAGGSA-N 1 0 242.363 1.450 10 30 BDEERO C[C@@H](C(N)=O)[N@H+](C)CCCCC(C)(C)C#N ZINC000711140373 712285436 /nfs/dbraw/zinc/28/54/36/712285436.db2.gz XVLZNFFLMXVKJS-JTQLQIEISA-N 1 0 225.336 1.512 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1cccc(C#N)n1 ZINC000723822235 710732845 /nfs/dbraw/zinc/73/28/45/710732845.db2.gz UXIAEDGEOOYKAO-ZJUUUORDSA-N 1 0 216.288 1.221 10 30 BDEERO N#Cc1ccc(N2CC[C@H](CC[NH3+])C2)c(F)c1 ZINC000723668963 711533541 /nfs/dbraw/zinc/53/35/41/711533541.db2.gz DVJZTIWNLCRPSO-JTQLQIEISA-N 1 0 233.290 1.872 10 30 BDEERO N#Cc1ccc(N2CC[C@H](CC[NH3+])C2)cn1 ZINC000723684525 711534050 /nfs/dbraw/zinc/53/40/50/711534050.db2.gz ZULBNDLUJJSETP-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO C[C@@H]1CN(c2cccc(C#N)n2)C[C@H]1CC[NH3+] ZINC000723893829 711544445 /nfs/dbraw/zinc/54/44/45/711544445.db2.gz FLFKVQOXXCBFEC-GHMZBOCLSA-N 1 0 230.315 1.374 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721569142 711646180 /nfs/dbraw/zinc/64/61/80/711646180.db2.gz WSRKNJNTHUAZGS-GXFFZTMASA-N 1 0 231.299 1.298 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721569138 711646301 /nfs/dbraw/zinc/64/63/01/711646301.db2.gz WSRKNJNTHUAZGS-GWCFXTLKSA-N 1 0 231.299 1.298 10 30 BDEERO C=C(Cl)C[N@H+]1CCC[C@H]1CCCO ZINC000052762756 711672559 /nfs/dbraw/zinc/67/25/59/711672559.db2.gz MYTDYFDDINCVFL-JTQLQIEISA-N 1 0 203.713 1.976 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000721859661 711791799 /nfs/dbraw/zinc/79/17/99/711791799.db2.gz WCWUQCURMQONHL-RDDDGLTNSA-N 1 0 237.253 1.856 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721971033 711853805 /nfs/dbraw/zinc/85/38/05/711853805.db2.gz GSUVKQYKDPHZQL-LLVKDONJSA-N 1 0 230.315 1.672 10 30 BDEERO Cc1ccnc(N[C@@H]2C[NH2+]CC2(C)C)c1C#N ZINC000721978376 711856046 /nfs/dbraw/zinc/85/60/46/711856046.db2.gz VRMKSBWCKQOXBL-LLVKDONJSA-N 1 0 230.315 1.672 10 30 BDEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C#N)nc1 ZINC000721945982 711946668 /nfs/dbraw/zinc/94/66/68/711946668.db2.gz XLHRFDSRUNMGSK-NSHDSACASA-N 1 0 216.288 1.363 10 30 BDEERO CCCCCCCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000702839208 712061179 /nfs/dbraw/zinc/06/11/79/712061179.db2.gz NJXJBEOHUHCWMB-NWDGAFQWSA-N 1 0 242.363 1.043 10 30 BDEERO CCC1([NH3+])CCN(c2cncc(C#N)n2)CC1 ZINC000714752515 712497351 /nfs/dbraw/zinc/49/73/51/712497351.db2.gz VTGJTGHVUYOCRY-UHFFFAOYSA-N 1 0 231.303 1.056 10 30 BDEERO N#Cc1ccnc(NCC2CC([NH3+])C2)c1 ZINC000715113526 712509917 /nfs/dbraw/zinc/50/99/17/712509917.db2.gz IARNGPDAMIQGJA-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO N#Cc1cc2c(nc1NC[C@H]1C[C@H]([NH3+])C1)CCC2 ZINC000715114069 712509921 /nfs/dbraw/zinc/50/99/21/712509921.db2.gz OSECMBYMRNTNRQ-OTCDBFHCSA-N 1 0 242.326 1.591 10 30 BDEERO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000715734842 712531144 /nfs/dbraw/zinc/53/11/44/712531144.db2.gz VJLMXAKQYXYUCE-DCAQKATOSA-N 1 0 211.305 1.692 10 30 BDEERO C=CCC1(O)CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000717422168 712657264 /nfs/dbraw/zinc/65/72/64/712657264.db2.gz DNRCHBNMIAOBFM-LBPRGKRZSA-N 1 0 227.348 1.550 10 30 BDEERO CC1(C)CN(c2ncccc2C#N)C[C@@H]1[NH3+] ZINC000720747001 712863194 /nfs/dbraw/zinc/86/31/94/712863194.db2.gz ISGINFVBTCPCMQ-JTQLQIEISA-N 1 0 216.288 1.127 10 30 BDEERO C=C(COC)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960285 538907822 /nfs/dbraw/zinc/90/78/22/538907822.db2.gz BYMMGDQDWOQRPQ-UHFFFAOYSA-N 1 0 219.284 1.548 10 30 BDEERO C#CCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962068 538909013 /nfs/dbraw/zinc/90/90/13/538909013.db2.gz SRTZXLHVNFGKPM-FZMZJTMJSA-N 1 0 231.295 1.511 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1CCC[NH2+]C1 ZINC000685952549 538896543 /nfs/dbraw/zinc/89/65/43/538896543.db2.gz ARLLHVYJTGWEGW-JTQLQIEISA-N 1 0 209.289 1.331 10 30 BDEERO C[C@H]1C[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953351 538897418 /nfs/dbraw/zinc/89/74/18/538897418.db2.gz LRANWJVQSRLORF-WDEREUQCSA-N 1 0 223.316 1.577 10 30 BDEERO C[C@@H](C#CC(=O)OC(C)(C)C)C1C[NH2+]C1 ZINC000685953275 538897445 /nfs/dbraw/zinc/89/74/45/538897445.db2.gz KGZJGMRUPVJANT-VIFPVBQESA-N 1 0 209.289 1.187 10 30 BDEERO N#C[C@H]1CCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000310323444 136220613 /nfs/dbraw/zinc/22/06/13/136220613.db2.gz ZMWOHVNIKOYKLY-RISCZKNCSA-N 1 0 233.359 1.895 10 30 BDEERO C=CCCOCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000182816372 136228595 /nfs/dbraw/zinc/22/85/95/136228595.db2.gz NIKYEASSRVVTCE-QWRGUYRKSA-N 1 0 228.336 1.069 10 30 BDEERO Cc1ccc(C#N)c(NC2CC([NH3+])C2)c1 ZINC000051580982 178363071 /nfs/dbraw/zinc/36/30/71/178363071.db2.gz ZUSNOAATXUAWPB-UHFFFAOYSA-N 1 0 201.273 1.768 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)CCC[NH3+])n1 ZINC000309191298 178366009 /nfs/dbraw/zinc/36/60/09/178366009.db2.gz BMYGIZMBWAEWSS-SECBINFHSA-N 1 0 218.304 1.801 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1ncccc1C#N ZINC000320735128 342736275 /nfs/dbraw/zinc/73/62/75/342736275.db2.gz UCSPTDVWFULAIH-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1cc(C#N)ccn1 ZINC000320756205 342737625 /nfs/dbraw/zinc/73/76/25/342737625.db2.gz WNTKBWSKSWPKTP-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO Cc1cc(C#N)cc(NCC[NH2+]C2CC2)n1 ZINC000157678622 342814791 /nfs/dbraw/zinc/81/47/91/342814791.db2.gz IPRJSQHDNBNXGP-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO N#CCCCCC[NH+]1CCC2(CC1)OCCO2 ZINC000199400536 362020056 /nfs/dbraw/zinc/02/00/56/362020056.db2.gz AWSPIZBEVDECJW-UHFFFAOYSA-N 1 0 238.331 1.909 10 30 BDEERO CO[C@H]1C[C@@H](CO)[N@H+](CC#Cc2ccccc2)C1 ZINC000344734796 365721640 /nfs/dbraw/zinc/72/16/40/365721640.db2.gz XNVLIKLSJLFAGQ-GJZGRUSLSA-N 1 0 245.322 1.120 10 30 BDEERO COC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC000015440654 343266460 /nfs/dbraw/zinc/26/64/60/343266460.db2.gz MCVVLUVORCVZDX-SNVBAGLBSA-N 1 0 204.229 1.121 10 30 BDEERO Cc1cccnc1CN1CCCC[C@H]1/C(N)=N/O ZINC000166202756 136307821 /nfs/dbraw/zinc/30/78/21/136307821.db2.gz ABPIKYBQBFHPGW-LBPRGKRZSA-N 1 0 248.330 1.491 10 30 BDEERO SCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227276116 343411340 /nfs/dbraw/zinc/41/13/40/343411340.db2.gz ZTIKHRHSVXHZPS-SNVBAGLBSA-N 1 0 200.351 1.086 10 30 BDEERO Cn1ccnc1CN[C@H]1CCCC[C@H]1C#N ZINC000070853320 343514465 /nfs/dbraw/zinc/51/44/65/343514465.db2.gz AIRDFUZDSKQRIO-QWRGUYRKSA-N 1 0 218.304 1.592 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000083466165 343608479 /nfs/dbraw/zinc/60/84/79/343608479.db2.gz BLXBQSWHUNNCLD-NEPJUHHUSA-N 1 0 222.332 1.963 10 30 BDEERO N#CCC1(C[N@H+]2CCC[C@@H]2CCCO)CC1 ZINC000083855181 343678812 /nfs/dbraw/zinc/67/88/12/343678812.db2.gz CHBRTCYTRYKZDG-GFCCVEGCSA-N 1 0 222.332 1.917 10 30 BDEERO C=C(Br)CN1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000221882679 343665734 /nfs/dbraw/zinc/66/57/34/343665734.db2.gz VEUQWDZFMUEAPJ-UWVGGRQHSA-N 1 0 245.164 1.579 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000380205808 343692515 /nfs/dbraw/zinc/69/25/15/343692515.db2.gz WFPNIMURGQAQDT-NWDGAFQWSA-N 1 0 202.257 1.029 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc(C#N)cc1F ZINC000082579399 133502845 /nfs/dbraw/zinc/50/28/45/133502845.db2.gz BHQHRJAZAUIGPD-SECBINFHSA-N 1 0 207.252 1.847 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2ccccc2F)C1 ZINC000409441206 343855397 /nfs/dbraw/zinc/85/53/97/343855397.db2.gz NVBJNCIXILMSMT-LBPRGKRZSA-N 1 0 219.263 1.294 10 30 BDEERO C#CCn1nc(-c2ccsc2)c2c1CC[NH2+]C2 ZINC000409440796 343856295 /nfs/dbraw/zinc/85/62/95/343856295.db2.gz UWJRPQMKKHOYKZ-UHFFFAOYSA-N 1 0 243.335 1.891 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2ccccc2Cl)C1 ZINC000409439700 343848000 /nfs/dbraw/zinc/84/80/00/343848000.db2.gz HXLYCNPCBZBYTB-GFCCVEGCSA-N 1 0 235.718 1.808 10 30 BDEERO C#CCn1cc(C(N)=[NH2+])c(-c2ccccc2)n1 ZINC000409437852 343848910 /nfs/dbraw/zinc/84/89/10/343848910.db2.gz JIKDSQXJJXZSPQ-UHFFFAOYSA-N 1 0 224.267 1.467 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2ccc(F)cc2)C1 ZINC000409442560 343859123 /nfs/dbraw/zinc/85/91/23/343859123.db2.gz WYMGDPMSCXIEKF-LBPRGKRZSA-N 1 0 219.263 1.294 10 30 BDEERO N#C[C@@H](c1ccccc1F)N1CC([NH3+])C1 ZINC000409442566 343859134 /nfs/dbraw/zinc/85/91/34/343859134.db2.gz XBVOGWHUPFBICL-NSHDSACASA-N 1 0 205.236 1.033 10 30 BDEERO C#CCn1nc(-c2cccnc2)cc1C[NH2+]C ZINC000409443150 343865960 /nfs/dbraw/zinc/86/59/60/343865960.db2.gz HTSZTQAGNAYFPB-UHFFFAOYSA-N 1 0 226.283 1.298 10 30 BDEERO N#Cc1cc([N+](=O)[O-])cnc1NCC[NH2+]C1CC1 ZINC000054267931 343885165 /nfs/dbraw/zinc/88/51/65/343885165.db2.gz CGAUFBYZRYOUTH-UHFFFAOYSA-N 1 0 247.258 1.025 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000251471010 343933768 /nfs/dbraw/zinc/93/37/68/343933768.db2.gz VUSWIWWVLULESZ-SDDRHHMPSA-N 1 0 208.305 1.837 10 30 BDEERO C=C(Br)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000307677408 343948651 /nfs/dbraw/zinc/94/86/51/343948651.db2.gz IYCUADNAGOSODJ-UWVGGRQHSA-N 1 0 245.164 1.579 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)CCCC#N ZINC000092628734 343960468 /nfs/dbraw/zinc/96/04/68/343960468.db2.gz YGNCHBLEKJHBGV-LBPRGKRZSA-N 1 0 209.337 1.706 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000221983101 349903943 /nfs/dbraw/zinc/90/39/43/349903943.db2.gz LIIBCBAURABKSW-CYBMUJFWSA-N 1 0 247.317 1.833 10 30 BDEERO C=C[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754611 344210466 /nfs/dbraw/zinc/21/04/66/344210466.db2.gz FZEQQAMXCGKCGO-NHCYSSNCSA-N 1 0 208.305 1.067 10 30 BDEERO C[C@]1(C(=O)C2=COCCC2)CCC[C@@H]1[NH3+] ZINC000135434165 344275096 /nfs/dbraw/zinc/27/50/96/344275096.db2.gz FEKVELUJHAXKLQ-JQWIXIFHSA-N 1 0 209.289 1.767 10 30 BDEERO CC[C@H]1CN(c2ccnc(C#N)c2)CC[C@H]1[NH3+] ZINC000251857102 344467222 /nfs/dbraw/zinc/46/72/22/344467222.db2.gz SJEJOSMTMRCJDT-GXFFZTMASA-N 1 0 230.315 1.517 10 30 BDEERO CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054825925 344472285 /nfs/dbraw/zinc/47/22/85/344472285.db2.gz ITEZJYUESPPUTH-GHMZBOCLSA-N 1 0 244.360 1.093 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000054825949 344472323 /nfs/dbraw/zinc/47/23/23/344472323.db2.gz SLMOXSIHLSMYJW-TUAOUCFPSA-N 1 0 224.304 1.074 10 30 BDEERO C=CCOCC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000310214797 344710004 /nfs/dbraw/zinc/71/00/04/344710004.db2.gz HORBLJWLGCQLCD-KBPBESRZSA-N 1 0 238.375 1.748 10 30 BDEERO C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC000235373650 344897409 /nfs/dbraw/zinc/89/74/09/344897409.db2.gz RMKVWNNFVWTOOA-MFKMUULPSA-N 1 0 215.300 1.337 10 30 BDEERO C[C@H]([NH3+])CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000235489958 344924778 /nfs/dbraw/zinc/92/47/78/344924778.db2.gz DREGGRIXDBMXSF-ZETCQYMHSA-N 1 0 235.247 1.011 10 30 BDEERO CNC(=[NH2+])SC[C@@H]1Cc2ccccc2O1 ZINC000155285080 345075957 /nfs/dbraw/zinc/07/59/57/345075957.db2.gz RHBULVPFAJFNAH-VIFPVBQESA-N 1 0 222.313 1.668 10 30 BDEERO C[C@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC000082575824 345439387 /nfs/dbraw/zinc/43/93/87/345439387.db2.gz ADUYUJFEXQVKSO-QMMMGPOBSA-N 1 0 216.288 1.201 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000070447816 345716853 /nfs/dbraw/zinc/71/68/53/345716853.db2.gz VHXYSDYROSXMEN-LLVKDONJSA-N 1 0 248.286 1.862 10 30 BDEERO CCc1nnc(N[C@@H](C)[C@@H](C)[NH3+])c(C#N)c1CC ZINC000381770676 346194072 /nfs/dbraw/zinc/19/40/72/346194072.db2.gz PVTHZIKOERRODK-BDAKNGLRSA-N 1 0 247.346 1.621 10 30 BDEERO CNC(Nc1cccc(Br)c1)=[NH+]N ZINC000164625512 346613414 /nfs/dbraw/zinc/61/34/14/346613414.db2.gz OUCKMELIUFJSSS-UHFFFAOYSA-N 1 0 243.108 1.310 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000020364548 187370586 /nfs/dbraw/zinc/37/05/86/187370586.db2.gz MIASYAVIWFSMIP-CXQJBGSLSA-N 1 0 222.332 1.293 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cncc(C#N)n1 ZINC000401529157 346773185 /nfs/dbraw/zinc/77/31/85/346773185.db2.gz VKZUJZIKDXEJNH-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC#N)C1 ZINC000195273067 347445890 /nfs/dbraw/zinc/44/58/90/347445890.db2.gz MHGTYDBQUSNDQF-CQSZACIVSA-N 1 0 244.342 1.359 10 30 BDEERO CN(CC(C)(C)[NH3+])c1nccc(C#N)c1[N+](=O)[O-] ZINC000594693849 348100848 /nfs/dbraw/zinc/10/08/48/348100848.db2.gz WMMVCWKOPXMLAT-UHFFFAOYSA-N 1 0 249.274 1.035 10 30 BDEERO CN1C[C@H](C[NH2+]CC(C)(C)CCC#N)CC1=O ZINC000594983473 348165064 /nfs/dbraw/zinc/16/50/64/348165064.db2.gz MVOJGNLYLLMUGK-NSHDSACASA-N 1 0 237.347 1.384 10 30 BDEERO CC#CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000119113444 348199854 /nfs/dbraw/zinc/19/98/54/348199854.db2.gz HUSJYKOWYOOBLE-UHFFFAOYSA-N 1 0 230.315 1.376 10 30 BDEERO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000336695907 187393802 /nfs/dbraw/zinc/39/38/02/187393802.db2.gz ZEZHOWTZIXGQFF-WPRPVWTQSA-N 1 0 237.328 1.265 10 30 BDEERO C=C(Br)CN1CC[C@H](C)[C@H]([NH3+])C1 ZINC000251699213 362899370 /nfs/dbraw/zinc/89/93/70/362899370.db2.gz NWNAUCJCYHRDIE-IONNQARKSA-N 1 0 233.153 1.564 10 30 BDEERO Cc1nc(NC[C@@H](C)[NH3+])c(Cl)cc1C#N ZINC000309096880 349985230 /nfs/dbraw/zinc/98/52/30/349985230.db2.gz DEKCKJBBNREWRP-ZCFIWIBFSA-N 1 0 224.695 1.674 10 30 BDEERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595979521 348414194 /nfs/dbraw/zinc/41/41/94/348414194.db2.gz AUZLLBSPUOFTDH-DMDPSCGWSA-N 1 0 235.331 1.137 10 30 BDEERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980428 348414919 /nfs/dbraw/zinc/41/49/19/348414919.db2.gz HXKLPMYDJRZXPM-UMNHJUIQSA-N 1 0 223.320 1.122 10 30 BDEERO N#Cc1c(F)cccc1NCC12CC(C1)C[NH2+]2 ZINC000596027712 348425288 /nfs/dbraw/zinc/42/52/88/348425288.db2.gz UQOLEGGVADFNNL-UHFFFAOYSA-N 1 0 231.274 1.861 10 30 BDEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[NH3+] ZINC000037043411 187422641 /nfs/dbraw/zinc/42/26/41/187422641.db2.gz HYKPYPQNXMQZII-UHFFFAOYSA-N 1 0 221.235 1.293 10 30 BDEERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(C#N)cc1 ZINC000599078731 349095298 /nfs/dbraw/zinc/09/52/98/349095298.db2.gz ALINNDVYLMCTBD-BPNCWPANSA-N 1 0 246.310 1.359 10 30 BDEERO N#CCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616572381 349066017 /nfs/dbraw/zinc/06/60/17/349066017.db2.gz RZKUWGJZVITKLP-JTQLQIEISA-N 1 0 229.283 1.379 10 30 BDEERO Cc1nc(N2CC[C@@H]([NH+](C)C)C2)ccc1C#N ZINC000291789806 180003616 /nfs/dbraw/zinc/00/36/16/180003616.db2.gz DEBSMDMKYYFHPE-GFCCVEGCSA-N 1 0 230.315 1.402 10 30 BDEERO N#Cc1ccc(-c2cnn(CCC[NH3+])c2)s1 ZINC000309392498 350366854 /nfs/dbraw/zinc/36/68/54/350366854.db2.gz FRAWSRQFYUFSPO-UHFFFAOYSA-N 1 0 232.312 1.832 10 30 BDEERO Cc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C#N ZINC000104309471 180358135 /nfs/dbraw/zinc/35/81/35/180358135.db2.gz GWBSCTWTVZRARX-ZACCUICWSA-N 1 0 245.330 1.295 10 30 BDEERO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC000104428278 180358378 /nfs/dbraw/zinc/35/83/78/180358378.db2.gz UOQZOWLERCGTHX-NSHDSACASA-N 1 0 247.346 1.496 10 30 BDEERO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+]2C)c1C#N ZINC000104428283 180358545 /nfs/dbraw/zinc/35/85/45/180358545.db2.gz UOQZOWLERCGTHX-LLVKDONJSA-N 1 0 247.346 1.496 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000309519594 350695684 /nfs/dbraw/zinc/69/56/84/350695684.db2.gz BBAVJECUGAWWQW-XQHKEYJVSA-N 1 0 222.332 1.962 10 30 BDEERO N#Cc1ccnc(N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382450080 350815847 /nfs/dbraw/zinc/81/58/47/350815847.db2.gz DKDMCCWNZKGGCZ-KOLCDFICSA-N 1 0 216.288 1.493 10 30 BDEERO OC1C[NH+](CC2(CS)CCCCC2)C1 ZINC000306679969 350835029 /nfs/dbraw/zinc/83/50/29/350835029.db2.gz JKCRIAWSTOFPCA-UHFFFAOYSA-N 1 0 215.362 1.543 10 30 BDEERO N#Cc1ncccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382475561 350839493 /nfs/dbraw/zinc/83/94/93/350839493.db2.gz SPPNGDXWUARYLS-UWVGGRQHSA-N 1 0 216.288 1.493 10 30 BDEERO N#Cc1cccc([C@@H]2CC[N@@H+](CCO)C2)c1 ZINC000616614146 350826957 /nfs/dbraw/zinc/82/69/57/350826957.db2.gz FJKNMPOAKRHNNE-CYBMUJFWSA-N 1 0 216.284 1.340 10 30 BDEERO C[C@H]1C[C@H](SC(N)=[NH+]N)C[C@@H](C)C1 ZINC000252664741 350913999 /nfs/dbraw/zinc/91/39/99/350913999.db2.gz LDVSNFJZXKMQGI-JIGDXULJSA-N 1 0 201.339 1.733 10 30 BDEERO N#Cc1cccc([C@@H]2CCCN(CC[NH3+])C2)c1 ZINC000616620115 350933352 /nfs/dbraw/zinc/93/33/52/350933352.db2.gz FMVNVYRKPBZDAE-CQSZACIVSA-N 1 0 229.327 1.696 10 30 BDEERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)CC#N ZINC000129054874 350973621 /nfs/dbraw/zinc/97/36/21/350973621.db2.gz SJSXIUFNQSTVMB-ZJUUUORDSA-N 1 0 211.309 1.120 10 30 BDEERO CC(C)[N@@H+]1CCN[C@H](c2ccccc2C#N)C1 ZINC000616632583 351112513 /nfs/dbraw/zinc/11/25/13/351112513.db2.gz MNSXANKPXSTKDZ-AWEZNQCLSA-N 1 0 229.327 1.913 10 30 BDEERO Cc1cc(C#N)cc(N(C)[C@H](C)C[NH3+])n1 ZINC000383000406 351162837 /nfs/dbraw/zinc/16/28/37/351162837.db2.gz RCIZBEHIWXWBII-SECBINFHSA-N 1 0 204.277 1.045 10 30 BDEERO N#Cc1ccccc1[C@@H]1COCCCN1CC[NH3+] ZINC000616645985 351169449 /nfs/dbraw/zinc/16/94/49/351169449.db2.gz RCGOCEHLFOWDPQ-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccccc1[C@@H]1C[N@H+](CCO)CCCO1 ZINC000616650395 351174062 /nfs/dbraw/zinc/17/40/62/351174062.db2.gz ZOJNIKDTCVUPAH-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cc3)C[C@@H]21 ZINC000153159910 363058209 /nfs/dbraw/zinc/05/82/09/363058209.db2.gz GCXBDGBTTFVFSM-UONOGXRCSA-N 1 0 243.310 1.077 10 30 BDEERO CC#CC[C@H]([NH3+])c1ncncc1Br ZINC000307238800 351728063 /nfs/dbraw/zinc/72/80/63/351728063.db2.gz ZTDNPQCHGBCFCA-QMMMGPOBSA-N 1 0 240.104 1.652 10 30 BDEERO SCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000307250625 351758491 /nfs/dbraw/zinc/75/84/91/351758491.db2.gz PSNQHPKCTPKAAC-LLVKDONJSA-N 1 0 214.378 1.476 10 30 BDEERO C=CC[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000638472003 352281031 /nfs/dbraw/zinc/28/10/31/352281031.db2.gz NVJQWPHMCZFAJV-WDEREUQCSA-N 1 0 208.305 1.021 10 30 BDEERO C=CC[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC)C1 ZINC000638472070 352281492 /nfs/dbraw/zinc/28/14/92/352281492.db2.gz OFQKWJVHHCLGEE-QWRGUYRKSA-N 1 0 210.321 1.538 10 30 BDEERO C[C@@H](CCC#N)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000411397814 191180916 /nfs/dbraw/zinc/18/09/16/191180916.db2.gz ZWUIYYZJDVSOQX-STQMWFEESA-N 1 0 221.348 1.849 10 30 BDEERO CN/C(=[NH+]/C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000307500943 352629314 /nfs/dbraw/zinc/62/93/14/352629314.db2.gz MVSRCFHEEIQMEM-OCAPTIKFSA-N 1 0 201.339 1.017 10 30 BDEERO C=CCSCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000123911408 353158234 /nfs/dbraw/zinc/15/82/34/353158234.db2.gz DXXHOGPQVDWGER-LLVKDONJSA-N 1 0 244.404 1.752 10 30 BDEERO C=CC[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000033465347 188060643 /nfs/dbraw/zinc/06/06/43/188060643.db2.gz IOVWVKRQIHZQCV-LLVKDONJSA-N 1 0 235.283 1.267 10 30 BDEERO N#Cc1cnc(CC[NH+]2CCCC2)s1 ZINC000082418248 188097448 /nfs/dbraw/zinc/09/74/48/188097448.db2.gz IXGSZGWLAJXFCC-UHFFFAOYSA-N 1 0 207.302 1.653 10 30 BDEERO C#C[C@]1(O)CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000255994018 188086792 /nfs/dbraw/zinc/08/67/92/188086792.db2.gz PDUCXYNDCUPCRJ-HIFRSBDPSA-N 1 0 229.323 1.893 10 30 BDEERO C#CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000069768717 188111916 /nfs/dbraw/zinc/11/19/16/188111916.db2.gz MXZLRPUELTYLFT-LBPRGKRZSA-N 1 0 201.269 1.992 10 30 BDEERO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000036158278 188112439 /nfs/dbraw/zinc/11/24/39/188112439.db2.gz PARPZUUCJPCBNL-NSHDSACASA-N 1 0 235.262 1.619 10 30 BDEERO C=C(Br)Cn1cc(C[NH3+])cn1 ZINC000073711515 188114946 /nfs/dbraw/zinc/11/49/46/188114946.db2.gz HELFYAFRFALEGS-UHFFFAOYSA-N 1 0 216.082 1.250 10 30 BDEERO N#CCc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043326528 188121881 /nfs/dbraw/zinc/12/18/81/188121881.db2.gz SKJDTWOJXXWPBW-ZDUSSCGKSA-N 1 0 215.300 1.917 10 30 BDEERO Cc1cccc(C#CCN2CC[NH2+]CC2)c1 ZINC000037470993 188151696 /nfs/dbraw/zinc/15/16/96/188151696.db2.gz OJMGGUCGPSPKGH-UHFFFAOYSA-N 1 0 214.312 1.252 10 30 BDEERO N#C[C@@H](NC1CCCC1)C1CCOCC1 ZINC000052178922 188157587 /nfs/dbraw/zinc/15/75/87/188157587.db2.gz JWSKYDCZFSOGOJ-GFCCVEGCSA-N 1 0 208.305 1.837 10 30 BDEERO CC(C)(CO)[NH2+][C@@H]1CCCCC[C@H]1C#N ZINC000054825063 188177891 /nfs/dbraw/zinc/17/78/91/188177891.db2.gz LFRBAEJEEYBUIP-WDEREUQCSA-N 1 0 210.321 1.819 10 30 BDEERO C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH3+] ZINC000083592116 188180610 /nfs/dbraw/zinc/18/06/10/188180610.db2.gz YDSLABNSRDLKFY-BDAKNGLRSA-N 1 0 212.293 1.250 10 30 BDEERO C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502689 188220107 /nfs/dbraw/zinc/22/01/07/188220107.db2.gz HEZAGAZCFKDNGQ-NWDGAFQWSA-N 1 0 224.348 1.929 10 30 BDEERO CC#CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161748315 353295408 /nfs/dbraw/zinc/29/54/08/353295408.db2.gz XVVJAKHTDBXBSY-UHFFFAOYSA-N 1 0 209.289 1.285 10 30 BDEERO CC1CC(C#N)(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000122371137 324041764 /nfs/dbraw/zinc/04/17/64/324041764.db2.gz ZVVTYBPKQKLFST-QWKFWESOSA-N 1 0 235.331 1.089 10 30 BDEERO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000129263558 353314547 /nfs/dbraw/zinc/31/45/47/353314547.db2.gz AUJQKTSSKDSPAS-GXTWGEPZSA-N 1 0 249.358 1.537 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100129 353380192 /nfs/dbraw/zinc/38/01/92/353380192.db2.gz VMPFKFKCHDCEOE-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO C=C(C)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190759301 353411548 /nfs/dbraw/zinc/41/15/48/353411548.db2.gz CTNLJQBCQAHZGI-ZDUSSCGKSA-N 1 0 235.331 1.852 10 30 BDEERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c(C#N)cn1 ZINC000398997417 353483388 /nfs/dbraw/zinc/48/33/88/353483388.db2.gz AUIKKLIRAXOIKS-WCBMZHEXSA-N 1 0 218.304 1.221 10 30 BDEERO C#CC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195281790 353741764 /nfs/dbraw/zinc/74/17/64/353741764.db2.gz VKIPUWGTRYDDMJ-OAHLLOKOSA-N 1 0 243.354 1.469 10 30 BDEERO N#CCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220292967 353832877 /nfs/dbraw/zinc/83/28/77/353832877.db2.gz NRPLPJNXJUTIPY-CHWSQXEVSA-N 1 0 222.332 1.917 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH+]1CCC(CC(N)=O)CC1 ZINC000042428779 181059096 /nfs/dbraw/zinc/05/90/96/181059096.db2.gz FEFXIELHPPPORG-QWHCGFSZSA-N 1 0 249.358 1.656 10 30 BDEERO N#C[C@@H]1CCCCC[C@H]1[NH+]1CCC(O)CC1 ZINC000037146292 181059164 /nfs/dbraw/zinc/05/91/64/181059164.db2.gz HEYBOYVRZJLJHJ-WCQYABFASA-N 1 0 222.332 1.916 10 30 BDEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000054826396 181059185 /nfs/dbraw/zinc/05/91/85/181059185.db2.gz FKAKIDWNNNNBFB-STQMWFEESA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000061892834 181060057 /nfs/dbraw/zinc/06/00/57/181060057.db2.gz ZRCKVNQXHMOLLZ-BFVXHGPNSA-N 1 0 226.345 1.179 10 30 BDEERO N#C[C@H](c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000019402438 181066850 /nfs/dbraw/zinc/06/68/50/181066850.db2.gz QYPGEOAPUMVQGG-GFCCVEGCSA-N 1 0 237.253 1.435 10 30 BDEERO N#C[C@H]1CCCCC[C@H]1[NH+]1CCC(O)CC1 ZINC000037146291 181068135 /nfs/dbraw/zinc/06/81/35/181068135.db2.gz HEYBOYVRZJLJHJ-DGCLKSJQSA-N 1 0 222.332 1.916 10 30 BDEERO N#Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1F ZINC000062116805 181090891 /nfs/dbraw/zinc/09/08/91/181090891.db2.gz HRIASQDIENJKLC-QMMMGPOBSA-N 1 0 233.246 1.245 10 30 BDEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000092616069 181104553 /nfs/dbraw/zinc/10/45/53/181104553.db2.gz PEJCGLQHYZSCJD-GFCCVEGCSA-N 1 0 245.326 1.821 10 30 BDEERO N#Cc1ccc(Cl)cc1NC(=O)CC[NH3+] ZINC000037015395 181111848 /nfs/dbraw/zinc/11/18/48/181111848.db2.gz OHOPEWLYELSHFM-UHFFFAOYSA-N 1 0 223.663 1.499 10 30 BDEERO N#Cc1ccc(Cl)cc1N[C@@H]1C[C@H]1[NH3+] ZINC000062785727 181112102 /nfs/dbraw/zinc/11/21/02/181112102.db2.gz QVIBBWIVCSYHAD-PSASIEDQSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(NC(=O)C[NH3+])cc1Cl ZINC000037387612 181118059 /nfs/dbraw/zinc/11/80/59/181118059.db2.gz ZRXFFUKFJZINAH-UHFFFAOYSA-N 1 0 209.636 1.109 10 30 BDEERO N#Cc1ccc(N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000062791383 181125817 /nfs/dbraw/zinc/12/58/17/181125817.db2.gz LMLNIGAMCZVKSD-SECBINFHSA-N 1 0 221.691 1.985 10 30 BDEERO N#Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]23)c(N)c1 ZINC000049564655 181126583 /nfs/dbraw/zinc/12/65/83/181126583.db2.gz XHZQVWLWEPOTBZ-UONOGXRCSA-N 1 0 242.326 1.789 10 30 BDEERO N#Cc1cccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883473 181154019 /nfs/dbraw/zinc/15/40/19/181154019.db2.gz WQAMCNNMDDAWQI-NSHDSACASA-N 1 0 217.272 1.474 10 30 BDEERO C=CCOCCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000336723008 358495910 /nfs/dbraw/zinc/49/59/10/358495910.db2.gz YPGYHWYYPBQVCR-KGLIPLIRSA-N 1 0 238.375 1.748 10 30 BDEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190093412 181182465 /nfs/dbraw/zinc/18/24/65/181182465.db2.gz IKORXGKVWGPFGW-UTUOFQBUSA-N 1 0 237.347 1.258 10 30 BDEERO NC(=[NH2+])NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000095952364 181187476 /nfs/dbraw/zinc/18/74/76/181187476.db2.gz TUIBEPORCAWZFB-QCDXTXTGSA-N 1 0 241.638 1.065 10 30 BDEERO NC(=[NH2+])NN=C1CCCc2ccccc21 ZINC000029220554 181187937 /nfs/dbraw/zinc/18/79/37/181187937.db2.gz CNZLDSHPYQPXMZ-UVTDQMKNSA-N 1 0 202.261 1.210 10 30 BDEERO C[C@@H]1CN(C/C=C\CS)C[C@H](C)[N@H+]1C ZINC000308387592 355397168 /nfs/dbraw/zinc/39/71/68/355397168.db2.gz PQCDGQCHIGNTRO-XTDHWIJXSA-N 1 0 214.378 1.497 10 30 BDEERO C[C@H]1CN(c2ccncc2C#N)C[C@@H]1[NH+](C)C ZINC000399362804 356469910 /nfs/dbraw/zinc/46/99/10/356469910.db2.gz IBKOADSKRFIDGM-GWCFXTLKSA-N 1 0 230.315 1.340 10 30 BDEERO CC(C)[N@H+](C)Cc1nn(C)cc1CC#N ZINC000675056001 538477058 /nfs/dbraw/zinc/47/70/58/538477058.db2.gz HOXHZMMTPQTLRX-UHFFFAOYSA-N 1 0 206.293 1.326 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCC[C@H]1O ZINC000168284045 356713801 /nfs/dbraw/zinc/71/38/01/356713801.db2.gz QFJHCSKEWJNBPS-JGVFFNPUSA-N 1 0 220.110 1.398 10 30 BDEERO CC[N@@H+]1CC[C@@H](NC(=O)C(C#N)(CC)CC)C1 ZINC000389672684 357012600 /nfs/dbraw/zinc/01/26/00/357012600.db2.gz FQBSTPXIEGNYDM-LLVKDONJSA-N 1 0 237.347 1.527 10 30 BDEERO N/C(=N\O)[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000304449539 358437138 /nfs/dbraw/zinc/43/71/38/358437138.db2.gz XGUHTTAVSIXZJK-JTQLQIEISA-N 1 0 231.315 1.727 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2cccnc2C#N)C1 ZINC000130004707 358605654 /nfs/dbraw/zinc/60/56/54/358605654.db2.gz TYXZHIWQFLHRQY-SNVBAGLBSA-N 1 0 216.288 1.094 10 30 BDEERO CC#CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246565491 359147471 /nfs/dbraw/zinc/14/74/71/359147471.db2.gz DPOBVWGMEDBPKI-UPJWGTAASA-N 1 0 235.327 1.816 10 30 BDEERO C#CCOc1cccc(C[NH2+][C@H](CC)CO)c1 ZINC000045945667 359746131 /nfs/dbraw/zinc/74/61/31/359746131.db2.gz WMXIWYDJAPSFIC-CYBMUJFWSA-N 1 0 233.311 1.559 10 30 BDEERO C=C[C@@H]([NH3+])c1cnn(C)c1Br ZINC000306472420 360100684 /nfs/dbraw/zinc/10/06/84/360100684.db2.gz SVIAGCLAIRBFQW-ZCFIWIBFSA-N 1 0 216.082 1.368 10 30 BDEERO Cc1cc(C#N)cc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000161054771 360440949 /nfs/dbraw/zinc/44/09/49/360440949.db2.gz ZFIFXHYNNIAMCF-GFCCVEGCSA-N 1 0 244.342 1.650 10 30 BDEERO CCN(O)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000306581463 360478869 /nfs/dbraw/zinc/47/88/69/360478869.db2.gz OQLOLACIGGEJIB-QMMMGPOBSA-N 1 0 200.282 1.002 10 30 BDEERO NC(=[NH2+])Nc1cc(Cl)cc(Cl)c1 ZINC000013858911 181323241 /nfs/dbraw/zinc/32/32/41/181323241.db2.gz PXNBOFBSFXZTES-UHFFFAOYSA-N 1 0 204.060 1.898 10 30 BDEERO N#CCc1cc(N)c(OC(F)(F)F)c[nH+]1 ZINC000238656760 361171385 /nfs/dbraw/zinc/17/13/85/361171385.db2.gz GIQRPHIEPPZBTQ-UHFFFAOYSA-N 1 0 217.150 1.628 10 30 BDEERO C[C@H]1C[C@H](O)C[N@@H+]1CC1(CS)CC1 ZINC000306624930 361285105 /nfs/dbraw/zinc/28/51/05/361285105.db2.gz GFAUDUIMUXIDAP-IUCAKERBSA-N 1 0 201.335 1.152 10 30 BDEERO C[C@@H]1C[N@H+](CC2(C=O)CCCC2)C[C@H]1O ZINC000306628089 361298274 /nfs/dbraw/zinc/29/82/74/361298274.db2.gz JGNUEQLENRYODH-GHMZBOCLSA-N 1 0 211.305 1.058 10 30 BDEERO C[C@H](CCC#N)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000429695408 201127267 /nfs/dbraw/zinc/12/72/67/201127267.db2.gz HMGBDTFCKBTXSF-VXGBXAGGSA-N 1 0 207.321 1.459 10 30 BDEERO [NH3+]CC#Cc1ccccc1COC[C@H]1CCOC1 ZINC000049691099 181345854 /nfs/dbraw/zinc/34/58/54/181345854.db2.gz ZZHZWQRSSCGFDO-ZDUSSCGKSA-N 1 0 245.322 1.550 10 30 BDEERO [NH3+]CC#Cc1cccc(CSc2nc[nH]n2)c1 ZINC000049611304 181346903 /nfs/dbraw/zinc/34/69/03/181346903.db2.gz ZZFZFRNMCFEIBF-UHFFFAOYSA-N 1 0 244.323 1.407 10 30 BDEERO [NH3+]CC#Cc1ccc(CNC(=O)C2CC2)cc1 ZINC000049586283 181346927 /nfs/dbraw/zinc/34/69/27/181346927.db2.gz CQMUHRNLIXXZIQ-UHFFFAOYSA-N 1 0 228.295 1.023 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2ccsc2=O)cc1 ZINC000071351128 181346935 /nfs/dbraw/zinc/34/69/35/181346935.db2.gz FMCXGZKVXWEZQW-UHFFFAOYSA-N 1 0 244.319 1.268 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C ZINC000252554461 363893174 /nfs/dbraw/zinc/89/31/74/363893174.db2.gz HNKSCHOOJOSVKM-UTLUCORTSA-N 1 0 245.164 1.435 10 30 BDEERO C=C[C@H]([NH2+]C)[C@@H]1SCCS[C@H]1C ZINC000252717405 367827750 /nfs/dbraw/zinc/82/77/50/367827750.db2.gz BFHVIBFDQJUCQE-XHNCKOQMSA-N 1 0 203.376 1.998 10 30 BDEERO C=C(C)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000387299884 368144107 /nfs/dbraw/zinc/14/41/07/368144107.db2.gz AJRQQQJGAAHWLK-LBPRGKRZSA-N 1 0 239.315 1.713 10 30 BDEERO C#CCN(C)c1ccc(Cl)c(C[NH3+])n1 ZINC000130796904 369013885 /nfs/dbraw/zinc/01/38/85/369013885.db2.gz HJTMYWDIGRFSBA-UHFFFAOYSA-N 1 0 209.680 1.263 10 30 BDEERO CC[NH2+][C@H](C)CNc1nc(C)ccc1C#N ZINC000387635061 368989565 /nfs/dbraw/zinc/98/95/65/368989565.db2.gz VLJBQUCZIORKKQ-SNVBAGLBSA-N 1 0 218.304 1.672 10 30 BDEERO CC[C@H]1CN(c2cccc(C#N)n2)CC[C@@H]1[NH3+] ZINC000123019662 369100729 /nfs/dbraw/zinc/10/07/29/369100729.db2.gz MYKAIWWGWFUWCI-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO CCC([NH3+])(CC)CNc1cncc(C#N)n1 ZINC000401497939 369364846 /nfs/dbraw/zinc/36/48/46/369364846.db2.gz FJNMPUCNQIZQSI-UHFFFAOYSA-N 1 0 219.292 1.278 10 30 BDEERO Cc1cc(NCCC2(C[NH3+])CC2)cc(C#N)n1 ZINC000404845817 369437586 /nfs/dbraw/zinc/43/75/86/369437586.db2.gz ONCAMPHDNPCKNS-UHFFFAOYSA-N 1 0 230.315 1.803 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405364190 369457175 /nfs/dbraw/zinc/45/71/75/369457175.db2.gz HPKQCVYFIVQFBB-NWDGAFQWSA-N 1 0 235.331 1.281 10 30 BDEERO N#Cc1ccc(NCCOCCC[NH3+])c(F)c1 ZINC000600954645 369577419 /nfs/dbraw/zinc/57/74/19/369577419.db2.gz FWYVKNPHASYYKM-UHFFFAOYSA-N 1 0 237.278 1.475 10 30 BDEERO Cc1nc(N2CCCCC[C@@H]([NH3+])C2)ccc1C#N ZINC000600958835 369577142 /nfs/dbraw/zinc/57/71/42/369577142.db2.gz MOYBDNJSYHDBBN-CYBMUJFWSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000600956763 369578483 /nfs/dbraw/zinc/57/84/83/369578483.db2.gz GYFQWZURMGKFCA-CMPLNLGQSA-N 1 0 230.315 1.732 10 30 BDEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)cn1 ZINC000600958776 369578541 /nfs/dbraw/zinc/57/85/41/369578541.db2.gz KLYYIUSNMXXEAO-NSHDSACASA-N 1 0 230.315 1.661 10 30 BDEERO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961512 369579152 /nfs/dbraw/zinc/57/91/52/369579152.db2.gz RXXPIETULQOYNH-KOLCDFICSA-N 1 0 233.290 1.728 10 30 BDEERO Cc1nc(N2C[C@@H]([NH3+])C[C@@H]2C)ccc1C#N ZINC000600963057 369581400 /nfs/dbraw/zinc/58/14/00/369581400.db2.gz QSASGEJWOIMQHA-KWQFWETISA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000600960215 369581582 /nfs/dbraw/zinc/58/15/82/369581582.db2.gz BSRQZQLLWTVJBP-ZYHUDNBSSA-N 1 0 215.300 1.589 10 30 BDEERO C[C@@H]1CN(CC2(CC#N)CC2)C[C@H]1[NH+](C)C ZINC000251861305 369979269 /nfs/dbraw/zinc/97/92/69/369979269.db2.gz SLZKOVOXQUNTLA-VXGBXAGGSA-N 1 0 221.348 1.562 10 30 BDEERO CC[C@H]1CN(c2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC000251843190 369975979 /nfs/dbraw/zinc/97/59/79/369975979.db2.gz QZMOCESVWSCCME-NWDGAFQWSA-N 1 0 230.315 1.517 10 30 BDEERO CC[C@@H]1CN(c2nc(C)ccc2C#N)CC[C@H]1[NH3+] ZINC000251860300 369979442 /nfs/dbraw/zinc/97/94/42/369979442.db2.gz SSHFYSNQQMYIAE-DGCLKSJQSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@H]1CCCN(c2cccc(C#N)n2)[C@H]1C[NH3+] ZINC000252179850 370000602 /nfs/dbraw/zinc/00/06/02/370000602.db2.gz PULFNZYHCMDLNU-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000252738091 370120825 /nfs/dbraw/zinc/12/08/25/370120825.db2.gz CVISCHAWBUHRDK-BJDJZHNGSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H](CC#N)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000063093179 370130150 /nfs/dbraw/zinc/13/01/50/370130150.db2.gz YXNZQGXMOJYNHN-WHXUTIOJSA-N 1 0 223.320 1.264 10 30 BDEERO CC[C@H]1CN(c2ccc(C#N)c(C)n2)CC[C@@H]1[NH3+] ZINC000311191895 370389988 /nfs/dbraw/zinc/38/99/88/370389988.db2.gz GBCCCLTVZYKKHT-AAEUAGOBSA-N 1 0 244.342 1.825 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccnc(C#N)c1 ZINC000070010613 371001383 /nfs/dbraw/zinc/00/13/83/371001383.db2.gz WFLCZERFIOYWCH-LLVKDONJSA-N 1 0 204.277 1.348 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cccnc1C#N ZINC000131093473 371556428 /nfs/dbraw/zinc/55/64/28/371556428.db2.gz OLCRCBIUTIQYMI-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1ncccc1C#N ZINC000131231041 371573249 /nfs/dbraw/zinc/57/32/49/371573249.db2.gz UKOJAXUXFUNVGN-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO CN(CCC[NH3+])c1cccc(C#N)c1[N+](=O)[O-] ZINC000131309192 371582560 /nfs/dbraw/zinc/58/25/60/371582560.db2.gz FMCLAFMEZLBVJG-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C=C(Br)CO[C@H]1CCC[C@@H]1[NH3+] ZINC000131344981 371594164 /nfs/dbraw/zinc/59/41/64/371594164.db2.gz JRHDBVMCSYGHEQ-YUMQZZPRSA-N 1 0 220.110 1.791 10 30 BDEERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131794643 371676279 /nfs/dbraw/zinc/67/62/79/371676279.db2.gz OCOLJTGNXCTYMF-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131798582 371678078 /nfs/dbraw/zinc/67/80/78/371678078.db2.gz NRRHLSUPTKNVOD-SECBINFHSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H](CS)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000227257560 371817089 /nfs/dbraw/zinc/81/70/89/371817089.db2.gz MDXSBBMHXDUKBQ-LPEHRKFASA-N 1 0 203.351 1.662 10 30 BDEERO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000227710906 371925487 /nfs/dbraw/zinc/92/54/87/371925487.db2.gz HSHWQCOAEMYCBO-QJPTWQEYSA-N 1 0 210.321 1.819 10 30 BDEERO C[C@@](C#N)(CCC[NH3+])NCc1ccccc1 ZINC000307760044 372145843 /nfs/dbraw/zinc/14/58/43/372145843.db2.gz UPXYRJXHJSNDHN-ZDUSSCGKSA-N 1 0 217.316 1.797 10 30 BDEERO OCC#Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000037543938 183033639 /nfs/dbraw/zinc/03/36/39/183033639.db2.gz KTYDKRXMABNMND-UHFFFAOYSA-N 1 0 245.322 1.505 10 30 BDEERO CCCN(Cc1ccc(C#N)cc1)C(=O)C[NH2+]C ZINC000037809165 169174422 /nfs/dbraw/zinc/17/44/22/169174422.db2.gz AURIQNLZYOQEPA-UHFFFAOYSA-N 1 0 245.326 1.516 10 30 BDEERO CCC[NH2+]CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000044648319 169256172 /nfs/dbraw/zinc/25/61/72/169256172.db2.gz HQTMYDOSPJMMPW-NSHDSACASA-N 1 0 245.326 1.735 10 30 BDEERO CCCN[C@H](C#N)CC[N@H+](C)C1CCOCC1 ZINC000062435190 169284123 /nfs/dbraw/zinc/28/41/23/169284123.db2.gz OXQLYHIUDSLVJS-LBPRGKRZSA-N 1 0 239.363 1.379 10 30 BDEERO CCCO[C@@H]1CCC[N@H+](CCC/C(N)=N/O)C1 ZINC000042422557 169311310 /nfs/dbraw/zinc/31/13/10/169311310.db2.gz VHAFYUPIQXHBFT-LLVKDONJSA-N 1 0 243.351 1.404 10 30 BDEERO CCC[C@@H](C#N)N1CC[NH+](CCCCC#N)CC1 ZINC000104073559 169342859 /nfs/dbraw/zinc/34/28/59/169342859.db2.gz VFHCITQKXCRSLR-AWEZNQCLSA-N 1 0 248.374 1.990 10 30 BDEERO C[C@H](CC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000310191105 384091601 /nfs/dbraw/zinc/09/16/01/384091601.db2.gz YVULWNKZDKSYEI-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@H](C)[NH3+] ZINC000394620262 384235972 /nfs/dbraw/zinc/23/59/72/384235972.db2.gz PSGLJWWJHTWCFW-VHSXEESVSA-N 1 0 240.310 1.676 10 30 BDEERO C#CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000251547006 533055780 /nfs/dbraw/zinc/05/57/80/533055780.db2.gz AYNLTJCMJQEIQT-KGLIPLIRSA-N 1 0 220.360 1.958 10 30 BDEERO SCC[NH2+]CCCOc1ccccc1 ZINC000096328060 384453626 /nfs/dbraw/zinc/45/36/26/384453626.db2.gz QUBUVFJBNNFDJV-UHFFFAOYSA-N 1 0 211.330 1.975 10 30 BDEERO N#Cc1cccnc1N1CCC(CC[NH3+])CC1 ZINC000070188656 384470628 /nfs/dbraw/zinc/47/06/28/384470628.db2.gz AXFUQZAWQFMTBB-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO Cc1ccc(C#N)c(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071190228 384692177 /nfs/dbraw/zinc/69/21/77/384692177.db2.gz KMDOONSPHAKPRW-LBPRGKRZSA-N 1 0 244.342 1.650 10 30 BDEERO CC#CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000155439290 384721947 /nfs/dbraw/zinc/72/19/47/384721947.db2.gz JLDSSRYDOXCKGH-UHFFFAOYSA-N 1 0 244.342 1.766 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1cnccc1C#N ZINC000320707565 384833981 /nfs/dbraw/zinc/83/39/81/384833981.db2.gz PDWSWFSHNYSPNT-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(C#N)n1 ZINC000320708333 384835866 /nfs/dbraw/zinc/83/58/66/384835866.db2.gz PHTSAFYLKVKPQZ-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO N#CC1(C(=O)N2CCn3ccnc3C2)CCCC1 ZINC000062255306 385111319 /nfs/dbraw/zinc/11/13/19/385111319.db2.gz OTXAOPPUHDPCRX-UHFFFAOYSA-N 1 0 244.298 1.309 10 30 BDEERO C[C@H](CC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000310726560 385155638 /nfs/dbraw/zinc/15/56/38/385155638.db2.gz ABPCEJSRBDYUKM-SNVBAGLBSA-N 1 0 244.342 1.981 10 30 BDEERO C[C@@H](Nc1nc2c(cc1C#N)CCC2)[C@H](C)[NH3+] ZINC000394459421 385227462 /nfs/dbraw/zinc/22/74/62/385227462.db2.gz KOZRLVCKPJBUBB-DTWKUNHWSA-N 1 0 230.315 1.590 10 30 BDEERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C#N)n1 ZINC000308237031 385409462 /nfs/dbraw/zinc/40/94/62/385409462.db2.gz DQWLPMMJYQEUKJ-LEWSCRJBSA-N 1 0 242.326 1.435 10 30 BDEERO N#Cc1ccc(-c2n[nH]c3c2CC[NH2+]C3)cc1F ZINC000584598710 385467429 /nfs/dbraw/zinc/46/74/29/385467429.db2.gz DLPSAQOYTLTANO-UHFFFAOYSA-N 1 0 242.257 1.733 10 30 BDEERO Cc1nnc(N[C@@H](C)CC[NH3+])c(C#N)c1C ZINC000309401037 385571582 /nfs/dbraw/zinc/57/15/82/385571582.db2.gz DNEKTSANHUKPPG-ZETCQYMHSA-N 1 0 219.292 1.114 10 30 BDEERO C[C@H](CC[NH3+])Nc1cccc(F)c1C#N ZINC000308917080 385637651 /nfs/dbraw/zinc/63/76/51/385637651.db2.gz NXQFJHVJXNCHKR-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000228795436 385680578 /nfs/dbraw/zinc/68/05/78/385680578.db2.gz LXBULGXSOAROQN-GWCFXTLKSA-N 1 0 244.342 1.648 10 30 BDEERO C[C@@H](C[NH3+])CNc1cccc(F)c1C#N ZINC000309001890 385680777 /nfs/dbraw/zinc/68/07/77/385680777.db2.gz SAXNKAZNPDCKTP-QMMMGPOBSA-N 1 0 207.252 1.704 10 30 BDEERO C#CCNC(=[NH+]C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156037573 533140744 /nfs/dbraw/zinc/14/07/44/533140744.db2.gz QZEAYCRQVOGEEF-RYUDHWBXSA-N 1 0 219.332 1.317 10 30 BDEERO C#CCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261839782 533143200 /nfs/dbraw/zinc/14/32/00/533143200.db2.gz WEXZZZSEFHAKJP-BETUJISGSA-N 1 0 233.359 1.707 10 30 BDEERO CN(CC1CC[NH2+]CC1)c1ncccc1C#N ZINC000094043225 386202259 /nfs/dbraw/zinc/20/22/59/386202259.db2.gz ATCWSLFRHMICJJ-UHFFFAOYSA-N 1 0 230.315 1.389 10 30 BDEERO C=CCC[C@@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000320307550 386298531 /nfs/dbraw/zinc/29/85/31/386298531.db2.gz UAEBUPKTLXFYQY-RYUDHWBXSA-N 1 0 212.337 1.045 10 30 BDEERO C#CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000119290298 533172856 /nfs/dbraw/zinc/17/28/56/533172856.db2.gz GBORSUNCJSHZQK-ZDUSSCGKSA-N 1 0 245.326 1.222 10 30 BDEERO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c(C#N)cn1 ZINC000399001050 386504319 /nfs/dbraw/zinc/50/43/19/386504319.db2.gz SSXJKPNNFMOZTI-KOLCDFICSA-N 1 0 216.288 1.188 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c(C#N)cn1 ZINC000399001051 386504665 /nfs/dbraw/zinc/50/46/65/386504665.db2.gz SSXJKPNNFMOZTI-MWLCHTKSSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000399210194 386456199 /nfs/dbraw/zinc/45/61/99/386456199.db2.gz RBJVQAWUODOBJX-ZFWWWQNUSA-N 1 0 229.323 1.883 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1ccnc(C#N)c1 ZINC000309476147 386664374 /nfs/dbraw/zinc/66/43/74/386664374.db2.gz VLUGSMFXLKHRNU-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000320779584 386704729 /nfs/dbraw/zinc/70/47/29/386704729.db2.gz ZONYWLQOGLNVGZ-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO N#CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398748649 386984468 /nfs/dbraw/zinc/98/44/68/386984468.db2.gz UVFITEQYRQMOQX-RWMBFGLXSA-N 1 0 222.332 1.773 10 30 BDEERO C=CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246321446 387072665 /nfs/dbraw/zinc/07/26/65/387072665.db2.gz XAHJZSIZHHAOSD-GHMZBOCLSA-N 1 0 225.336 1.200 10 30 BDEERO N#Cc1cc(NCC[NH3+])ccc1Br ZINC000575478192 387160309 /nfs/dbraw/zinc/16/03/09/387160309.db2.gz CLIRBNGFZMAIJW-UHFFFAOYSA-N 1 0 240.104 1.691 10 30 BDEERO C=C(C)[C@H]([NH3+])c1c(Br)cnn1C ZINC000575483006 387186403 /nfs/dbraw/zinc/18/64/03/387186403.db2.gz NCTFXAUHDCBPND-ZETCQYMHSA-N 1 0 230.109 1.759 10 30 BDEERO C[C@H]1CCSC(NCC2CSC2)=[NH+]1 ZINC000575487095 387257335 /nfs/dbraw/zinc/25/73/35/387257335.db2.gz KMLKUGQZRZQKMV-ZETCQYMHSA-N 1 0 216.375 1.820 10 30 BDEERO CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424102713 387526593 /nfs/dbraw/zinc/52/65/93/387526593.db2.gz LTVOWGWWQLYEQC-MNOVXSKESA-N 1 0 225.336 1.558 10 30 BDEERO N#C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575535440 387574725 /nfs/dbraw/zinc/57/47/25/387574725.db2.gz ZAHPEHKRQZXDOT-ZDUSSCGKSA-N 1 0 242.326 1.947 10 30 BDEERO C#CC[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517874 387922364 /nfs/dbraw/zinc/92/23/64/387922364.db2.gz XUZSBODFRWIRIQ-NSHDSACASA-N 1 0 219.288 1.266 10 30 BDEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000245983696 387998714 /nfs/dbraw/zinc/99/87/14/387998714.db2.gz DMWPOAJHYQVPJT-UONOGXRCSA-N 1 0 249.358 1.884 10 30 BDEERO C[C@@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000085920965 256776152 /nfs/dbraw/zinc/77/61/52/256776152.db2.gz MFCOAQIZORIDHG-QMMMGPOBSA-N 1 0 227.271 1.261 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378783556 388504503 /nfs/dbraw/zinc/50/45/03/388504503.db2.gz KMOHJAUHVNVCLT-NNYUYHANSA-N 1 0 222.332 1.455 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000107813119 388607462 /nfs/dbraw/zinc/60/74/62/388607462.db2.gz MWRHLAMAYUOOLJ-CYBMUJFWSA-N 1 0 242.326 1.628 10 30 BDEERO CC1CC(C#N)(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)C1 ZINC000125800213 388678303 /nfs/dbraw/zinc/67/83/03/388678303.db2.gz SUVXOZICNXGPIT-LXVYMNJGSA-N 1 0 249.358 1.336 10 30 BDEERO N#Cc1cnc(N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000250748138 388640947 /nfs/dbraw/zinc/64/09/47/388640947.db2.gz BJBMUNXHHGFRAK-LBPRGKRZSA-N 1 0 243.314 1.023 10 30 BDEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)C#N)C1 ZINC000247408067 388663303 /nfs/dbraw/zinc/66/33/03/388663303.db2.gz RMOBXKFTUORGFT-WDEREUQCSA-N 1 0 237.347 1.381 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2cccc(C#N)n2)C1 ZINC000080119224 388707608 /nfs/dbraw/zinc/70/76/08/388707608.db2.gz IKXHBIXAOWSIKW-NSHDSACASA-N 1 0 216.288 1.094 10 30 BDEERO CN(C[C@H]1CCC[NH2+]1)c1ncccc1C#N ZINC000095070951 388758188 /nfs/dbraw/zinc/75/81/88/388758188.db2.gz AAZVLONTPDEKFM-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO C[C@@H]1CCCN(c2ccc(C#N)cn2)[C@@H]1C[NH3+] ZINC000070178487 132230341 /nfs/dbraw/zinc/23/03/41/132230341.db2.gz YDMJSVOHPSIWOP-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C=CC[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756033 132243706 /nfs/dbraw/zinc/24/37/06/132243706.db2.gz MNOIEMTYMZVMIQ-UHFFFAOYSA-N 1 0 217.316 1.577 10 30 BDEERO CC1(C)C[NH2+]CCN1c1ccc(C#N)cc1 ZINC000083842822 132426040 /nfs/dbraw/zinc/42/60/40/132426040.db2.gz XNBXSFYQJUFGCE-UHFFFAOYSA-N 1 0 215.300 1.746 10 30 BDEERO Cc1ccc(C#N)c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000094460878 132429065 /nfs/dbraw/zinc/42/90/65/132429065.db2.gz XMCPAKHPEBDCSN-CYBMUJFWSA-N 1 0 242.326 1.546 10 30 BDEERO C[C@@H]1CCCN(c2ncccc2C#N)[C@H]1C[NH3+] ZINC000252209272 133649437 /nfs/dbraw/zinc/64/94/37/133649437.db2.gz VWVISRVRJNHYIS-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000336450706 134147583 /nfs/dbraw/zinc/14/75/83/134147583.db2.gz GURNTVDTPSGKJP-RYUDHWBXSA-N 1 0 247.342 1.423 10 30 BDEERO C=CCOCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000304213886 134236922 /nfs/dbraw/zinc/23/69/22/134236922.db2.gz FUKKVXZCENGRLU-CYBMUJFWSA-N 1 0 224.348 1.359 10 30 BDEERO C[C@H](C#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220554116 134309660 /nfs/dbraw/zinc/30/96/60/134309660.db2.gz YKMDSTBPMHUQPQ-VXGBXAGGSA-N 1 0 207.321 1.459 10 30 BDEERO C#CCCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179913208 134325255 /nfs/dbraw/zinc/32/52/55/134325255.db2.gz SHUBALAVCMSQDL-CYBMUJFWSA-N 1 0 234.343 1.487 10 30 BDEERO C#CCCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000180165429 134327700 /nfs/dbraw/zinc/32/77/00/134327700.db2.gz ALERZCZUHKSROL-ZIAGYGMSSA-N 1 0 248.370 1.875 10 30 BDEERO CC[C@@H]([NH3+])CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000233893455 134570338 /nfs/dbraw/zinc/57/03/38/134570338.db2.gz BHNDHGYGQHMGET-MRVPVSSYSA-N 1 0 235.247 1.011 10 30 BDEERO [NH2+]=C(Nc1ccccn1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249465955 134838424 /nfs/dbraw/zinc/83/84/24/134838424.db2.gz GQIDKFWOCWZKHT-AXFHLTTASA-N 1 0 246.314 1.376 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249943807 134839494 /nfs/dbraw/zinc/83/94/94/134839494.db2.gz UCKBOZZZAMPWGP-AXFHLTTASA-N 1 0 223.320 1.034 10 30 BDEERO C[C@H](C#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248460200 135012554 /nfs/dbraw/zinc/01/25/54/135012554.db2.gz OFXMNQNNJMPQHO-NEPJUHHUSA-N 1 0 237.347 1.084 10 30 BDEERO C[C@@H](C#N)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000070995397 135017337 /nfs/dbraw/zinc/01/73/37/135017337.db2.gz UXIFXVHUDHPQQN-LBPRGKRZSA-N 1 0 223.364 1.952 10 30 BDEERO CN(C)C(=[NH+][C@@H]1C[C@@H]2OCCC[C@@H]12)N(C)C ZINC000249838778 135046271 /nfs/dbraw/zinc/04/62/71/135046271.db2.gz NEHGNERROBXQOK-AXFHLTTASA-N 1 0 225.336 1.033 10 30 BDEERO C[C@H](CC#N)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251485832 135069771 /nfs/dbraw/zinc/06/97/71/135069771.db2.gz GAMOWWIKURNUOH-FRRDWIJNSA-N 1 0 222.332 1.916 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1cccn1C ZINC000261937272 135264100 /nfs/dbraw/zinc/26/41/00/135264100.db2.gz CRUCOHVGKFPGGI-ZYHUDNBSSA-N 1 0 234.347 1.441 10 30 BDEERO C[C@@H]1C[C@@H](C[NH+]=C(N(C)C)N(C)C)C[C@H](C)O1 ZINC000262065404 135276536 /nfs/dbraw/zinc/27/65/36/135276536.db2.gz CEVQRNAQOIBAQD-ZSBIGDGJSA-N 1 0 241.379 1.669 10 30 BDEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)NC1CC1 ZINC000262101010 135278383 /nfs/dbraw/zinc/27/83/83/135278383.db2.gz ISIBNMZEUDUCQX-UHFFFAOYSA-N 1 0 235.253 1.786 10 30 BDEERO [NH2+]=C(NC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000262391558 135298512 /nfs/dbraw/zinc/29/85/12/135298512.db2.gz MGACZVVTBPJLHL-JTQLQIEISA-N 1 0 235.262 1.326 10 30 BDEERO CN(C)C(=[NH+]CC1(C(F)F)CC1)N(C)C ZINC000262464287 135301194 /nfs/dbraw/zinc/30/11/94/135301194.db2.gz NEEQEOYBTSDHGQ-UHFFFAOYSA-N 1 0 219.279 1.511 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262532750 135304765 /nfs/dbraw/zinc/30/47/65/135304765.db2.gz OHFHUDWMXYFKRK-XCBNKYQSSA-N 1 0 239.269 1.697 10 30 BDEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262541077 135304870 /nfs/dbraw/zinc/30/48/70/135304870.db2.gz SAERDIMNJDPGOO-MNOVXSKESA-N 1 0 241.379 1.750 10 30 BDEERO Cc1cnn(CCNC(=[NH2+])N2CCC[C@H](C)C2)c1 ZINC000262546144 135305939 /nfs/dbraw/zinc/30/59/39/135305939.db2.gz VFYBUYXNLUWFNO-NSHDSACASA-N 1 0 249.362 1.238 10 30 BDEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[C@H]1C ZINC000262779138 135318104 /nfs/dbraw/zinc/31/81/04/135318104.db2.gz IRUOGTKBIBXCLZ-MWLCHTKSSA-N 1 0 248.330 1.164 10 30 BDEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)NC1CCC1 ZINC000263046891 135329394 /nfs/dbraw/zinc/32/93/94/135329394.db2.gz DCSYDNLJPLYAEE-UHFFFAOYSA-N 1 0 243.314 1.520 10 30 BDEERO CN1CCC[NH+]=C1N[C@@H]1CCC12CCCC2 ZINC000263111148 135333730 /nfs/dbraw/zinc/33/37/30/135333730.db2.gz LBZWNLYHMQLEGR-LLVKDONJSA-N 1 0 221.348 1.990 10 30 BDEERO CN1CCC[NH+]=C1N[C@H]1CCC12CCCC2 ZINC000263111150 135333747 /nfs/dbraw/zinc/33/37/47/135333747.db2.gz LBZWNLYHMQLEGR-NSHDSACASA-N 1 0 221.348 1.990 10 30 BDEERO C[C@@H]1CN(C(=[NH2+])N[C@@H]2CCC2(C)C)CCO1 ZINC000263140075 135334808 /nfs/dbraw/zinc/33/48/08/135334808.db2.gz JJQOBWJXICCHGL-NXEZZACHSA-N 1 0 225.336 1.210 10 30 BDEERO [NH2+]=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCOCC1 ZINC000263196659 135338904 /nfs/dbraw/zinc/33/89/04/135338904.db2.gz WNWCYMLRENLAEY-FRRDWIJNSA-N 1 0 249.358 1.236 10 30 BDEERO C=C(C)CNC(=[NH2+])NCc1cnc(C2CC2)o1 ZINC000263203543 135339193 /nfs/dbraw/zinc/33/91/93/135339193.db2.gz XSQQQDPDQQODPH-UHFFFAOYSA-N 1 0 234.303 1.532 10 30 BDEERO N#CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000079840030 135397171 /nfs/dbraw/zinc/39/71/71/135397171.db2.gz UCHQMPYBROMXJN-RYUDHWBXSA-N 1 0 208.305 1.525 10 30 BDEERO C#CC[NH2+]C1CCN(CC=C(C)C)CC1 ZINC000037184891 166187994 /nfs/dbraw/zinc/18/79/94/166187994.db2.gz FVTSJLLRRCXQRC-UHFFFAOYSA-N 1 0 206.333 1.640 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NC[C@H](CC)CCCC ZINC000083353601 166206602 /nfs/dbraw/zinc/20/66/02/166206602.db2.gz FRCCSXIUUHMMFC-NEPJUHHUSA-N 1 0 224.348 1.670 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000019516109 166331038 /nfs/dbraw/zinc/33/10/38/166331038.db2.gz ZCLMJZQYRQAMKF-ZDUSSCGKSA-N 1 0 230.311 1.887 10 30 BDEERO C=CCN(CC=C)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036193474 166338203 /nfs/dbraw/zinc/33/82/03/166338203.db2.gz KGOWNCLLEBRIOU-ZDUSSCGKSA-N 1 0 243.310 1.817 10 30 BDEERO C=CCN1C[C@H]([NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000019795913 166360676 /nfs/dbraw/zinc/36/06/76/166360676.db2.gz FLZMUGBUVPGDTM-JTQLQIEISA-N 1 0 219.244 1.601 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccccc1OC ZINC000020033684 166398469 /nfs/dbraw/zinc/39/84/69/166398469.db2.gz HQAQBAXQCQAZES-UHFFFAOYSA-N 1 0 220.272 1.409 10 30 BDEERO C=CC[NH2+]CC[C@H](O)c1cccc(N)c1 ZINC000098123875 166398836 /nfs/dbraw/zinc/39/88/36/166398836.db2.gz QVNGJMOPVDLJLD-LBPRGKRZSA-N 1 0 206.289 1.468 10 30 BDEERO C=CC[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000035099743 166399929 /nfs/dbraw/zinc/39/99/29/166399929.db2.gz FOFXZGZAZMOBGP-UHFFFAOYSA-N 1 0 236.340 1.408 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645869 167340182 /nfs/dbraw/zinc/34/01/82/167340182.db2.gz QLTILIWGNRJSHW-NWDGAFQWSA-N 1 0 237.347 1.335 10 30 BDEERO CC(C)[C@@H](C)[N@H+](C)CC(=O)N(C)CCC#N ZINC000035238577 167365577 /nfs/dbraw/zinc/36/55/77/167365577.db2.gz UXUSXLXQYPCBDV-LLVKDONJSA-N 1 0 225.336 1.335 10 30 BDEERO C[C@@H](CC#N)[NH2+]C1(CO)CCC(C)CC1 ZINC000053118553 168157227 /nfs/dbraw/zinc/15/72/27/168157227.db2.gz PVCHMGKGUKEBFT-CXQJBGSLSA-N 1 0 210.321 1.819 10 30 BDEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1CCCC1 ZINC000037821136 169888485 /nfs/dbraw/zinc/88/84/85/169888485.db2.gz XENDSRMLGCNTML-LLVKDONJSA-N 1 0 237.347 1.527 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000334581071 170020580 /nfs/dbraw/zinc/02/05/80/170020580.db2.gz VWEIDGVNSHDHHD-ZDUSSCGKSA-N 1 0 243.310 1.382 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061890394 170107843 /nfs/dbraw/zinc/10/78/43/170107843.db2.gz CBBZJCCTOQASCY-NXEZZACHSA-N 1 0 223.320 1.183 10 30 BDEERO CC[NH2+][C@@H](C)c1ccccc1-n1cnc(C#N)n1 ZINC000061842286 170141727 /nfs/dbraw/zinc/14/17/27/170141727.db2.gz VNKNAMDNPHPWRS-JTQLQIEISA-N 1 0 241.298 1.809 10 30 BDEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@]1(C=O)CCOC1 ZINC000051179398 171111342 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/nfs/dbraw/zinc/86/68/75/487866875.db2.gz PGASGESXTYIKJZ-AEJSXWLSSA-N 1 0 230.258 1.692 10 30 BDEERO C=C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000309495294 487888229 /nfs/dbraw/zinc/88/82/29/487888229.db2.gz JXKURFYGEYQVSL-GARJFASQSA-N 1 0 210.321 1.311 10 30 BDEERO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)cc(C#N)n1 ZINC000308240610 323152416 /nfs/dbraw/zinc/15/24/16/323152416.db2.gz NHTIOTFZKVUQEE-CQSZACIVSA-N 1 0 242.326 1.452 10 30 BDEERO C#CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000119290444 490451561 /nfs/dbraw/zinc/45/15/61/490451561.db2.gz GBORSUNCJSHZQK-CYBMUJFWSA-N 1 0 245.326 1.222 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000320143627 491122619 /nfs/dbraw/zinc/12/26/19/491122619.db2.gz SPGDXBYPJNOSBQ-SFYZADRCSA-N 1 0 249.274 1.399 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334745250 518184883 /nfs/dbraw/zinc/18/48/83/518184883.db2.gz DOPMWEQQMKDATC-SMDDNHRTSA-N 1 0 230.311 1.761 10 30 BDEERO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263141282 534663908 /nfs/dbraw/zinc/66/39/08/534663908.db2.gz JPGNZOXMVQWASG-WDSKDSINSA-N 1 0 205.252 1.343 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000183052575 534752622 /nfs/dbraw/zinc/75/26/22/534752622.db2.gz ILPRHRFYJNRCHM-GHMZBOCLSA-N 1 0 212.337 1.975 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cncc(C#N)n1 ZINC000401339366 529099421 /nfs/dbraw/zinc/09/94/21/529099421.db2.gz TXZWXODDPNFDKF-LBPRGKRZSA-N 1 0 245.330 1.269 10 30 BDEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000179584707 534996560 /nfs/dbraw/zinc/99/65/60/534996560.db2.gz MGPFKDOYZSUOCA-SNVBAGLBSA-N 1 0 223.320 1.266 10 30 BDEERO CC(C)NC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000261983848 535126007 /nfs/dbraw/zinc/12/60/07/535126007.db2.gz JGUKLMOHLQQNLF-RYUDHWBXSA-N 1 0 235.306 1.994 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[C@H]1C ZINC000262811365 535263428 /nfs/dbraw/zinc/26/34/28/535263428.db2.gz VFXAIBFWOGASOQ-KXNHARMFSA-N 1 0 239.363 1.111 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)C[C@H]1CCOC1 ZINC000261662294 535265687 /nfs/dbraw/zinc/26/56/87/535265687.db2.gz NXOSAIKEZUUYNN-QJPTWQEYSA-N 1 0 239.363 1.329 10 30 BDEERO CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262836039 536305755 /nfs/dbraw/zinc/30/57/55/536305755.db2.gz SLQAGCZRERMOEB-JLIMDTESSA-N 1 0 239.269 1.745 10 30 BDEERO CNC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248896122 536383660 /nfs/dbraw/zinc/38/36/60/536383660.db2.gz TWOAIUHCMYMJQH-IJLUTSLNSA-N 1 0 237.347 1.429 10 30 BDEERO C[NH2+]Cc1sc([C@H](O)CC#N)nc1C ZINC000757132363 582506855 /nfs/dbraw/zinc/50/68/55/582506855.db2.gz SVXOAOLKUYDIGK-SSDOTTSWSA-N 1 0 211.290 1.118 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000123949618 589868263 /nfs/dbraw/zinc/86/82/63/589868263.db2.gz PQZFXKRJYDFEJF-OLZOCXBDSA-N 1 0 249.358 1.671 10 30 BDEERO C[C@@H](C[NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000829321251 592707721 /nfs/dbraw/zinc/70/77/21/592707721.db2.gz YVBUXLFVPDGWNE-YFKPBYRVSA-N 1 0 230.724 1.675 10 30 BDEERO CCN(c1cc(C#N)cc(C)n1)[C@@H]1CC[NH2+]C1 ZINC000161738785 632397898 /nfs/dbraw/zinc/39/78/98/632397898.db2.gz WRNZOLDXBIEMOS-GFCCVEGCSA-N 1 0 230.315 1.450 10 30 BDEERO COC1CC([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000308925034 632460451 /nfs/dbraw/zinc/46/04/51/632460451.db2.gz HZYUSZUPTNQLLM-DMOGRIERSA-N 1 0 208.305 1.836 10 30 BDEERO Cc1cc(C[NH2+][C@H](C)[C@H](C)O)ccc1C#N ZINC000309977876 632688547 /nfs/dbraw/zinc/68/85/47/632688547.db2.gz UPHFHFKTBNPXLD-MNOVXSKESA-N 1 0 218.300 1.726 10 30 BDEERO C[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1[NH3+] ZINC000235706364 632818424 /nfs/dbraw/zinc/81/84/24/632818424.db2.gz VIUHMYPRCWBJNN-WDSKDSINSA-N 1 0 242.735 1.452 10 30 BDEERO C#CCCC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000309598684 633209929 /nfs/dbraw/zinc/20/99/29/633209929.db2.gz XAYSYDWDUOIJGW-UHFFFAOYSA-N 1 0 218.304 1.046 10 30 BDEERO CC#CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227599958 634213598 /nfs/dbraw/zinc/21/35/98/634213598.db2.gz UGOZCXCRYLHKNY-KBPBESRZSA-N 1 0 220.360 1.958 10 30 BDEERO CC/[NH+]=C(/N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000429097108 636059296 /nfs/dbraw/zinc/05/92/96/636059296.db2.gz JTQWXKLDJZZHCK-LYZGCBJASA-N 1 0 249.362 1.147 10 30 BDEERO C[N@@H+]1CC[C@H]2CN(C(=O)C3(C#N)CCC3)C[C@@H]2C1 ZINC000310813293 636539046 /nfs/dbraw/zinc/53/90/46/636539046.db2.gz IQCWVHATKLNUAU-RYUDHWBXSA-N 1 0 247.342 1.090 10 30 BDEERO CCN(c1ccc(F)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000111027607 636917071 /nfs/dbraw/zinc/91/70/71/636917071.db2.gz PIEDJDYDBHPFES-LBPRGKRZSA-N 1 0 233.290 1.886 10 30 BDEERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000226441446 640766716 /nfs/dbraw/zinc/76/67/16/640766716.db2.gz GLJCVTPTXPXQQJ-ZLKJLUDKSA-N 1 0 246.310 1.359 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000229193632 640931548 /nfs/dbraw/zinc/93/15/48/640931548.db2.gz HVANLRAOYVGZMC-IRDPIATMSA-N 1 0 240.372 1.569 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000158799113 641650703 /nfs/dbraw/zinc/65/07/03/641650703.db2.gz LGVUEIIJXWGFLN-IUCAKERBSA-N 1 0 216.712 1.230 10 30 BDEERO COC(=O)[C@@H]1C[N@H+](CCCC#N)C[C@@H]1C ZINC000227752391 641738177 /nfs/dbraw/zinc/73/81/77/641738177.db2.gz AANGEEMCNNCOKC-VHSXEESVSA-N 1 0 210.277 1.031 10 30 BDEERO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190858621 641891163 /nfs/dbraw/zinc/89/11/63/641891163.db2.gz QVDOIBDOIORTND-APPZFPTMSA-N 1 0 234.137 1.455 10 30 BDEERO Cc1cc(N(C)C[C@@H](C)[NH3+])cc(C#N)n1 ZINC000308236432 642517099 /nfs/dbraw/zinc/51/70/99/642517099.db2.gz CEMGOUSGZLOTEO-MRVPVSSYSA-N 1 0 204.277 1.045 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1cc(C)nc(C#N)c1 ZINC000308237645 642521559 /nfs/dbraw/zinc/52/15/59/642521559.db2.gz FZAJIRGUZDKSFA-ZDUSSCGKSA-N 1 0 244.342 1.840 10 30 BDEERO C#CCC[NH2+]Cc1cccc2c1OCO2 ZINC000069625486 642884838 /nfs/dbraw/zinc/88/48/38/642884838.db2.gz HSMMUHUVYZGGRJ-UHFFFAOYSA-N 1 0 203.241 1.528 10 30 BDEERO C#CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069625586 642884999 /nfs/dbraw/zinc/88/49/99/642884999.db2.gz QNIPFDBPRZHNOP-UHFFFAOYSA-N 1 0 204.229 1.708 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000069768474 642904459 /nfs/dbraw/zinc/90/44/59/642904459.db2.gz VUGMTXYIEUXSKO-UHFFFAOYSA-N 1 0 205.257 1.514 10 30 BDEERO C#CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069767941 642904813 /nfs/dbraw/zinc/90/48/13/642904813.db2.gz VGESQFYGQVAIEJ-UHFFFAOYSA-N 1 0 201.269 1.734 10 30 BDEERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000070304515 643013861 /nfs/dbraw/zinc/01/38/61/643013861.db2.gz JWBKIHWCBUBMKR-UHFFFAOYSA-N 1 0 234.259 1.122 10 30 BDEERO C#CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252727889 643103156 /nfs/dbraw/zinc/10/31/56/643103156.db2.gz RTNQEPVSXXCKDE-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO N#Cc1cc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000071386076 643136237 /nfs/dbraw/zinc/13/62/37/643136237.db2.gz IEUJURDZWJIIQS-GFCCVEGCSA-N 1 0 238.294 1.880 10 30 BDEERO C[C@H]([NH3+])CN(C)c1nc(Cl)c(C#N)s1 ZINC000307106012 643406928 /nfs/dbraw/zinc/40/69/28/643406928.db2.gz JRVSCNLIONVIIW-YFKPBYRVSA-N 1 0 230.724 1.452 10 30 BDEERO C#C[C@H](C)NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000248615523 644691627 /nfs/dbraw/zinc/69/16/27/644691627.db2.gz ZJKBRGXGALUGPD-SDDRHHMPSA-N 1 0 237.347 1.036 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C#N)c1 ZINC000251923578 644831099 /nfs/dbraw/zinc/83/10/99/644831099.db2.gz YDZCABLZFIKAMF-RISCZKNCSA-N 1 0 242.326 1.626 10 30 BDEERO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1CCCO ZINC000304258226 644882051 /nfs/dbraw/zinc/88/20/51/644882051.db2.gz SMWHTOPLTATNNC-RYUDHWBXSA-N 1 0 226.320 1.152 10 30 BDEERO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706971033 712160824 /nfs/dbraw/zinc/16/08/24/712160824.db2.gz IYXLBVHSMDCIHT-MXWKQRLJSA-N 1 0 226.320 1.054 10 30 BDEERO N#Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715113783 712509754 /nfs/dbraw/zinc/50/97/54/712509754.db2.gz MCJZAUFNAMAYNS-DTORHVGOSA-N 1 0 202.261 1.102 10 30 BDEERO CN1C[C@@H](C[NH2+]CC#Cc2ccccc2)CC1=O ZINC000723352115 711508606 /nfs/dbraw/zinc/50/86/06/711508606.db2.gz SRPBKSRFNYKDGI-CQSZACIVSA-N 1 0 242.322 1.106 10 30 BDEERO CCNC(NCC1C[C@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000724485666 711584599 /nfs/dbraw/zinc/58/45/99/711584599.db2.gz DUEGQAVKUXNNKJ-QWRGUYRKSA-N 1 0 241.379 1.765 10 30 BDEERO C#CCC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185457156 711906433 /nfs/dbraw/zinc/90/64/33/711906433.db2.gz IEXMSYJTBPDAIA-LLVKDONJSA-N 1 0 222.332 1.198 10 30 BDEERO CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000705522830 712132459 /nfs/dbraw/zinc/13/24/59/712132459.db2.gz AEWIBGASTTWNOJ-GMKTYKIGSA-N 1 0 222.332 1.962 10 30 BDEERO CN(CCCCCC[NH3+])c1cccc(C#N)n1 ZINC000710779820 712256401 /nfs/dbraw/zinc/25/64/01/712256401.db2.gz IRWQSSICJCCQCQ-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO CN(CCCCCC[NH3+])c1ccc(C#N)nn1 ZINC000710818279 712257626 /nfs/dbraw/zinc/25/76/26/712257626.db2.gz FTUKMLDGRGWIMF-UHFFFAOYSA-N 1 0 233.319 1.304 10 30 BDEERO CCC1([NH3+])CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000714753072 712497268 /nfs/dbraw/zinc/49/72/68/712497268.db2.gz RHCVBGYYSZONLI-UHFFFAOYSA-N 1 0 245.330 1.364 10 30 BDEERO Cc1nnc(NC[C@H]2C[C@@H]([NH3+])C2)c(C#N)c1C ZINC000715068794 712505605 /nfs/dbraw/zinc/50/56/05/712505605.db2.gz ZHQPHGQWIRTYEA-AOOOYVTPSA-N 1 0 231.303 1.114 10 30 BDEERO N#Cc1cc2c(nc1NCC1CC([NH3+])C1)CCC2 ZINC000715110063 712509243 /nfs/dbraw/zinc/50/92/43/712509243.db2.gz OSECMBYMRNTNRQ-UHFFFAOYSA-N 1 0 242.326 1.591 10 30 BDEERO N#Cc1cccc(NCC2CC([NH3+])C2)n1 ZINC000715113784 712509956 /nfs/dbraw/zinc/50/99/56/712509956.db2.gz MCJZAUFNAMAYNS-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO N#Cc1sc(NC[C@H]2C[C@@H]([NH3+])C2)nc1Cl ZINC000715122384 712511120 /nfs/dbraw/zinc/51/11/20/712511120.db2.gz JQGRRZYBPNSRQA-OLQVQODUSA-N 1 0 242.735 1.817 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@H]([NH3+])C2)nc1 ZINC000715131536 712513759 /nfs/dbraw/zinc/51/37/59/712513759.db2.gz GMQUYPKPSCKYOA-MGCOHNPYSA-N 1 0 202.261 1.102 10 30 BDEERO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000715734846 712531512 /nfs/dbraw/zinc/53/15/12/712531512.db2.gz VJLMXAKQYXYUCE-GARJFASQSA-N 1 0 211.305 1.692 10 30 BDEERO C#CC[C@H](COC)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000716957903 712600271 /nfs/dbraw/zinc/60/02/71/712600271.db2.gz NPRUJHGVCBVPAN-AGIUHOORSA-N 1 0 223.316 1.182 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000717461885 712659577 /nfs/dbraw/zinc/65/95/77/712659577.db2.gz VNZYBBKIGXUYBT-CHWSQXEVSA-N 1 0 221.300 1.031 10 30 BDEERO CC1(C)CN(c2ccc(F)cc2C#N)C[C@H]1[NH3+] ZINC000720815600 712868587 /nfs/dbraw/zinc/86/85/87/712868587.db2.gz GCZXUESPEPGWNR-GFCCVEGCSA-N 1 0 233.290 1.871 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C#N)nc1 ZINC000721097633 712890934 /nfs/dbraw/zinc/89/09/34/712890934.db2.gz NLVDRPZRTFTHRD-GHMZBOCLSA-N 1 0 230.315 1.611 10 30 BDEERO CC[C@H](C)[C@@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953425 538898220 /nfs/dbraw/zinc/89/82/20/538898220.db2.gz MKVHKXDMVNIYON-UWVGGRQHSA-N 1 0 211.305 1.705 10 30 BDEERO CC[NH2+][C@@H](C)CC#CC(=O)OC(C)(C)C ZINC000685954705 538899061 /nfs/dbraw/zinc/89/90/61/538899061.db2.gz YWHXNCJYJXABLZ-JTQLQIEISA-N 1 0 211.305 1.720 10 30 BDEERO C=C(COCC)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960693 538907555 /nfs/dbraw/zinc/90/75/55/538907555.db2.gz ZULQYKIEARYUOU-UHFFFAOYSA-N 1 0 233.311 1.938 10 30 BDEERO C#CCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962069 538909086 /nfs/dbraw/zinc/90/90/86/538909086.db2.gz SRTZXLHVNFGKPM-RISCZKNCSA-N 1 0 231.295 1.511 10 30 BDEERO C[C@H]1CC[NH2+][C@H]1C#CC(=O)OC(C)(C)C ZINC000685953231 538897405 /nfs/dbraw/zinc/89/74/05/538897405.db2.gz JUYOXNDLZKBAME-UWVGGRQHSA-N 1 0 209.289 1.330 10 30 BDEERO N#Cc1ccncc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382482291 398173494 /nfs/dbraw/zinc/17/34/94/398173494.db2.gz XLDOZDBYTCEPIK-GXSJLCMTSA-N 1 0 216.288 1.493 10 30 BDEERO [NH3+][C@H]1CC[C@H](CC(=O)C2=COCCC2)C1 ZINC000306485665 398203800 /nfs/dbraw/zinc/20/38/00/398203800.db2.gz HFJOBLITJAKUSK-ONGXEEELSA-N 1 0 209.289 1.767 10 30 BDEERO Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000398999667 398247948 /nfs/dbraw/zinc/24/79/48/398247948.db2.gz RLBQSRYBYNAMHW-NWDGAFQWSA-N 1 0 244.342 1.484 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](C)C2)c1 ZINC000051579735 178366241 /nfs/dbraw/zinc/36/62/41/178366241.db2.gz DPWIITOMEIDPAT-GFCCVEGCSA-N 1 0 215.300 1.983 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@H](C)C[NH3+] ZINC000054345554 178367318 /nfs/dbraw/zinc/36/73/18/178367318.db2.gz HRHMBDNYHPLFLC-SECBINFHSA-N 1 0 217.272 1.400 10 30 BDEERO CCC(CC)NC(=O)CN(CC)C[C@H](C)C#N ZINC000042287649 168377061 /nfs/dbraw/zinc/37/70/61/168377061.db2.gz BLQQMFXZQGPUEP-LLVKDONJSA-N 1 0 239.363 1.773 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000320159837 342732645 /nfs/dbraw/zinc/73/26/45/342732645.db2.gz VPHNNHVCHRDYQJ-YUMQZZPRSA-N 1 0 249.274 1.399 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320684296 342736102 /nfs/dbraw/zinc/73/61/02/342736102.db2.gz LUCPAIUQUQRPLQ-IUCAKERBSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1cc(C#N)ccn1 ZINC000320756202 342737647 /nfs/dbraw/zinc/73/76/47/342737647.db2.gz WNTKBWSKSWPKTP-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO N[NH+]=C(N)c1cccc(Br)c1 ZINC000042013327 361924953 /nfs/dbraw/zinc/92/49/53/361924953.db2.gz RNLKFZFFHAQDQP-UHFFFAOYSA-N 1 0 214.066 1.028 10 30 BDEERO CNC(=[NH+]N)c1cccc(Br)c1 ZINC000042035274 361926736 /nfs/dbraw/zinc/92/67/36/361926736.db2.gz MZKJHUMDDPAJFY-UHFFFAOYSA-N 1 0 228.093 1.289 10 30 BDEERO N#Cc1cc2c(nc1NC1CC[NH2+]CC1)CCC2 ZINC000043405782 343065644 /nfs/dbraw/zinc/06/56/44/343065644.db2.gz PKRDORSLXXEYJD-UHFFFAOYSA-N 1 0 242.326 1.606 10 30 BDEERO N#Cc1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311220530 136275692 /nfs/dbraw/zinc/27/56/92/136275692.db2.gz PAQTVYXPCSVMAM-OKILXGFUSA-N 1 0 241.338 1.994 10 30 BDEERO C[C@]1(CNc2cc(C#N)ncn2)CCC[NH2+]C1 ZINC000310298498 343419852 /nfs/dbraw/zinc/41/98/52/343419852.db2.gz POZKOIOKNGRHOC-LBPRGKRZSA-N 1 0 231.303 1.150 10 30 BDEERO C=CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807002 136363442 /nfs/dbraw/zinc/36/34/42/136363442.db2.gz SSPAMELEWLVNET-UHFFFAOYSA-N 1 0 232.331 1.563 10 30 BDEERO C#CC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105900312 136363874 /nfs/dbraw/zinc/36/38/74/136363874.db2.gz ITISJHNKJQTVGU-LBPRGKRZSA-N 1 0 203.289 1.462 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C#N)ncn1 ZINC000310762282 343568128 /nfs/dbraw/zinc/56/81/28/343568128.db2.gz KPGFAFYCABQLES-LBPRGKRZSA-N 1 0 245.330 1.269 10 30 BDEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCC#N ZINC000178284137 346951292 /nfs/dbraw/zinc/95/12/92/346951292.db2.gz UFJDOHSBDCAJJB-CYBMUJFWSA-N 1 0 232.331 1.960 10 30 BDEERO Cc1nc(N2CCC(C#N)CC2)cc(N)[nH+]1 ZINC000409432204 343825780 /nfs/dbraw/zinc/82/57/80/343825780.db2.gz VCMILLVOPLQQKG-UHFFFAOYSA-N 1 0 217.276 1.107 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2cccc(OC)c2)C1 ZINC000409438846 343845359 /nfs/dbraw/zinc/84/53/59/343845359.db2.gz DSCVNMNGAJUWHN-CYBMUJFWSA-N 1 0 231.299 1.163 10 30 BDEERO N#C[C@H](Cc1ccccc1)N1CC(C[NH3+])C1 ZINC000409438982 343846094 /nfs/dbraw/zinc/84/60/94/343846094.db2.gz FKCHQJSDXPDQPN-ZDUSSCGKSA-N 1 0 215.300 1.012 10 30 BDEERO N#Cc1ccc(NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000054267831 343884249 /nfs/dbraw/zinc/88/42/49/343884249.db2.gz OFAXTPGFOHPXQG-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO C#CCOC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000307516108 343939315 /nfs/dbraw/zinc/93/93/15/343939315.db2.gz HAIQJWVRIUMDRN-UHFFFAOYSA-N 1 0 232.283 1.217 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616569740 344170585 /nfs/dbraw/zinc/17/05/85/344170585.db2.gz CRQMSJPROSJWGM-SFYZADRCSA-N 1 0 236.237 1.219 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1ccnc(C#N)c1 ZINC000084736987 344468705 /nfs/dbraw/zinc/46/87/05/344468705.db2.gz DRSAYNQWQRPXMO-LBPRGKRZSA-N 1 0 218.304 1.739 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000054825950 344472605 /nfs/dbraw/zinc/47/26/05/344472605.db2.gz SLMOXSIHLSMYJW-QJPTWQEYSA-N 1 0 224.304 1.074 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000381348093 344496433 /nfs/dbraw/zinc/49/64/33/344496433.db2.gz HEHYMWBIDAGFSQ-SFYZADRCSA-N 1 0 234.259 1.614 10 30 BDEERO Cc1ccnc(N[C@@H](C)[C@@H](C)[NH3+])c1C#N ZINC000381346218 344497516 /nfs/dbraw/zinc/49/75/16/344497516.db2.gz GRHKUKQALFHNTL-BDAKNGLRSA-N 1 0 204.277 1.409 10 30 BDEERO N#Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054305654 344526310 /nfs/dbraw/zinc/52/63/10/344526310.db2.gz JSGPKAKWPXSZFJ-GFCCVEGCSA-N 1 0 243.310 1.886 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000381720908 344540756 /nfs/dbraw/zinc/54/07/56/344540756.db2.gz JRQWYBIBZLRIAB-ZJUUUORDSA-N 1 0 244.342 1.980 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cnccc1C#N ZINC000135810771 344896363 /nfs/dbraw/zinc/89/63/63/344896363.db2.gz NINAMNVFYCIIOX-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@H](C)C#N ZINC000235461783 344920274 /nfs/dbraw/zinc/92/02/74/344920274.db2.gz ZFVLCPHOKUAFTL-NXEZZACHSA-N 1 0 241.335 1.649 10 30 BDEERO N#Cc1ccc([C@@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616680030 345413968 /nfs/dbraw/zinc/41/39/68/345413968.db2.gz LIGZTYWBVVEZEP-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000146473615 345713994 /nfs/dbraw/zinc/71/39/94/345713994.db2.gz QOFHEAWVLDGZLI-LBPRGKRZSA-N 1 0 228.299 1.238 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@H]([NH3+])C(C)C)n1 ZINC000070447938 345716814 /nfs/dbraw/zinc/71/68/14/345716814.db2.gz ATWWGAHTYCPHCD-LBPRGKRZSA-N 1 0 232.331 1.965 10 30 BDEERO Cc1ccnc(N[C@H]2CC[C@@H](C[NH3+])C2)c1C#N ZINC000382445583 346252533 /nfs/dbraw/zinc/25/25/33/346252533.db2.gz JEPUQEIQHGDOOT-MNOVXSKESA-N 1 0 230.315 1.801 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](CC2(CC#N)CC2)C1 ZINC000401518079 346765427 /nfs/dbraw/zinc/76/54/27/346765427.db2.gz AFSRCWDPJYAHPM-GHMZBOCLSA-N 1 0 208.305 1.383 10 30 BDEERO C[C@H]1CCCN(c2ccc(C#N)nc2)[C@H]1C[NH3+] ZINC000252697325 346778891 /nfs/dbraw/zinc/77/88/91/346778891.db2.gz GSDOPNQHVZUAQL-GWCFXTLKSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000378668662 346803777 /nfs/dbraw/zinc/80/37/77/346803777.db2.gz IHHNXDKMKAFHGP-NOOOWODRSA-N 1 0 208.305 1.836 10 30 BDEERO C#CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000309968665 347206163 /nfs/dbraw/zinc/20/61/63/347206163.db2.gz OLOSKECZEPHIQP-VXGBXAGGSA-N 1 0 223.316 1.183 10 30 BDEERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(CC#N)CC#N)c1 ZINC000042965759 179188984 /nfs/dbraw/zinc/18/89/84/179188984.db2.gz ULMCLJWIWFSZPT-TZMCWYRMSA-N 1 0 242.326 1.732 10 30 BDEERO Cc1cc(N2CCC(C)([NH3+])CC2)c(C#N)cn1 ZINC000591689864 347689500 /nfs/dbraw/zinc/68/95/00/347689500.db2.gz QTTDSFGOGZFPQX-UHFFFAOYSA-N 1 0 230.315 1.579 10 30 BDEERO Cc1cc(NCCC2CC[NH2+]CC2)c(C#N)cn1 ZINC000593233168 347873318 /nfs/dbraw/zinc/87/33/18/347873318.db2.gz LAEIKJUEKAFNAE-UHFFFAOYSA-N 1 0 244.342 1.485 10 30 BDEERO N#CCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570195 347914223 /nfs/dbraw/zinc/91/42/23/347914223.db2.gz MIFUDPWPKLGEOE-STQMWFEESA-N 1 0 243.310 1.243 10 30 BDEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594426491 348052204 /nfs/dbraw/zinc/05/22/04/348052204.db2.gz RUPPCVREHQDOQF-KOLCDFICSA-N 1 0 223.320 1.312 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445387 348055649 /nfs/dbraw/zinc/05/56/49/348055649.db2.gz DZPRMIBNRZZCCG-WOPDTQHZSA-N 1 0 237.347 1.702 10 30 BDEERO CN(CC(C)(C)[NH3+])c1cccc(C#N)n1 ZINC000594692967 348100335 /nfs/dbraw/zinc/10/03/35/348100335.db2.gz GSISWPZSMASYNP-UHFFFAOYSA-N 1 0 204.277 1.127 10 30 BDEERO Cc1cc(NCC2([NH3+])CCCC2)cc(C#N)n1 ZINC000594694180 348100751 /nfs/dbraw/zinc/10/07/51/348100751.db2.gz BOZWFUCAULNVJO-UHFFFAOYSA-N 1 0 230.315 1.945 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(CO)C2)c(F)c1 ZINC000595000346 348168493 /nfs/dbraw/zinc/16/84/93/348168493.db2.gz FQCHLKKVJXJDHQ-UHFFFAOYSA-N 1 0 234.274 1.558 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCSCC1 ZINC000595480838 348252605 /nfs/dbraw/zinc/25/26/05/348252605.db2.gz BBJBRPIZZPDZMN-QWRGUYRKSA-N 1 0 240.372 1.526 10 30 BDEERO CC[C@@H](CC#N)[NH2+]CC1(O)CCSCC1 ZINC000595528777 348272548 /nfs/dbraw/zinc/27/25/48/348272548.db2.gz FEDQGRLIFDTTML-JTQLQIEISA-N 1 0 228.361 1.526 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000595981769 348416524 /nfs/dbraw/zinc/41/65/24/348416524.db2.gz PFZSCFWXQGCSCP-GCZXYKMCSA-N 1 0 235.331 1.266 10 30 BDEERO N#Cc1cc(F)ccc1NCC12CC(C1)C[NH2+]2 ZINC000596027722 348425780 /nfs/dbraw/zinc/42/57/80/348425780.db2.gz VIIZRQFFZLNGFY-UHFFFAOYSA-N 1 0 231.274 1.861 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000596031210 348426621 /nfs/dbraw/zinc/42/66/21/348426621.db2.gz CCBALTDYKDGTIA-SNVBAGLBSA-N 1 0 240.310 1.548 10 30 BDEERO C[NH2+]C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000596031156 348426644 /nfs/dbraw/zinc/42/66/44/348426644.db2.gz AODLRPMVZYMKKN-JTQLQIEISA-N 1 0 240.310 1.548 10 30 BDEERO N#CCCCCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042873972 187431318 /nfs/dbraw/zinc/43/13/18/187431318.db2.gz ORZPDSIHTHMXRW-UHFFFAOYSA-N 1 0 248.282 1.947 10 30 BDEERO C[C@@H](NC(=O)CC#N)c1cccc(C[NH3+])c1 ZINC000616573457 349071024 /nfs/dbraw/zinc/07/10/24/349071024.db2.gz SFDAXFQRDLXVMW-SECBINFHSA-N 1 0 217.272 1.236 10 30 BDEERO Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1C#N ZINC000291955385 180004307 /nfs/dbraw/zinc/00/43/07/180004307.db2.gz NTZMPANZUALEHY-ZWNOBZJWSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1nn(C)c(NC[C@H]2CCC[NH2+]C2)c1C#N ZINC000104310857 180358466 /nfs/dbraw/zinc/35/84/66/180358466.db2.gz BTBVHLCEHNIWBT-JTQLQIEISA-N 1 0 233.319 1.012 10 30 BDEERO C#CCOc1c(Cl)cc(C[NH3+])cc1OC ZINC000037698706 187461360 /nfs/dbraw/zinc/46/13/60/187461360.db2.gz SRCHKIBDDPCRJL-UHFFFAOYSA-N 1 0 225.675 1.819 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000309519590 350695493 /nfs/dbraw/zinc/69/54/93/350695493.db2.gz BBAVJECUGAWWQW-VOAKCMCISA-N 1 0 222.332 1.962 10 30 BDEERO CC[C@](C)([NH3+])C#Cc1cnc(OC)s1 ZINC000306682278 350838371 /nfs/dbraw/zinc/83/83/71/350838371.db2.gz QTHNSSCKMDGFMK-JTQLQIEISA-N 1 0 210.302 1.631 10 30 BDEERO N#CCCCN1CCC([NH+]2CCCC2)CC1 ZINC000051952382 350872040 /nfs/dbraw/zinc/87/20/40/350872040.db2.gz METFXIUGTRBPGD-UHFFFAOYSA-N 1 0 221.348 1.850 10 30 BDEERO CCNC(Nc1ccsc1Cl)=[NH+]N ZINC000306728441 350896980 /nfs/dbraw/zinc/89/69/80/350896980.db2.gz KBHQPGSSGFJMQP-UHFFFAOYSA-N 1 0 218.713 1.653 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000397668305 350959451 /nfs/dbraw/zinc/95/94/51/350959451.db2.gz MIABMHDQBJOZTK-RYUDHWBXSA-N 1 0 222.332 1.963 10 30 BDEERO N#Cc1ccccc1[C@H]1COCCCN1CC[NH3+] ZINC000616646588 351171685 /nfs/dbraw/zinc/17/16/85/351171685.db2.gz RCGOCEHLFOWDPQ-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO CNC(=O)CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000398385298 351128269 /nfs/dbraw/zinc/12/82/69/351128269.db2.gz VWQBUCRLTKNGRS-MNOVXSKESA-N 1 0 223.320 1.185 10 30 BDEERO N#C[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC000307102040 351475234 /nfs/dbraw/zinc/47/52/34/351475234.db2.gz ZCOZTDBUKCLUBW-ZDUSSCGKSA-N 1 0 227.311 1.232 10 30 BDEERO CC#CC[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000307262949 351807829 /nfs/dbraw/zinc/80/78/29/351807829.db2.gz ANQACVUJNSTFJL-LLVKDONJSA-N 1 0 240.347 1.760 10 30 BDEERO CC1(C)C[C@H](O)CC[N@H+](CCS)C1 ZINC000307361744 352445032 /nfs/dbraw/zinc/44/50/32/352445032.db2.gz HTZKVSFXWBVANU-SECBINFHSA-N 1 0 203.351 1.399 10 30 BDEERO CC[C@H]1CN(c2nc(C)cc(C#N)n2)CC[C@H]1[NH3+] ZINC000300428773 352563653 /nfs/dbraw/zinc/56/36/53/352563653.db2.gz FNLPRISRHRTWJW-CMPLNLGQSA-N 1 0 245.330 1.220 10 30 BDEERO Cc1nc(NC[C@H](C)C[NH3+])c(Cl)cc1C#N ZINC000420209333 192176221 /nfs/dbraw/zinc/17/62/21/192176221.db2.gz BZTGZJMQKXUIAS-SSDOTTSWSA-N 1 0 238.722 1.922 10 30 BDEERO C[C@@H](C[NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000420216430 192177150 /nfs/dbraw/zinc/17/71/50/192177150.db2.gz MQNWUXSIYKQLBO-JTQLQIEISA-N 1 0 240.310 1.535 10 30 BDEERO C[C@@H]([NH3+])c1nc(C(=O)C2=COCC2)cs1 ZINC000307752425 353128386 /nfs/dbraw/zinc/12/83/86/353128386.db2.gz RONWJWAUESVRLO-ZCFIWIBFSA-N 1 0 224.285 1.650 10 30 BDEERO C=CC[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000032100004 188059638 /nfs/dbraw/zinc/05/96/38/188059638.db2.gz PQQORSXEVZMIOB-NSHDSACASA-N 1 0 241.718 1.855 10 30 BDEERO N#Cc1cccc(NCCC[NH3+])c1[N+](=O)[O-] ZINC000131141628 353173384 /nfs/dbraw/zinc/17/33/84/353173384.db2.gz CADSGVFEMXYYMK-UHFFFAOYSA-N 1 0 220.232 1.227 10 30 BDEERO C#Cc1cc(OC)c(CC[NH3+])cc1OC ZINC000079045697 188086941 /nfs/dbraw/zinc/08/69/41/188086941.db2.gz MLJHHYIJBZVUEA-UHFFFAOYSA-N 1 0 205.257 1.186 10 30 BDEERO Cc1ccc(C[N@H+](C)CCC/C(N)=N/O)cc1 ZINC000020264643 188108777 /nfs/dbraw/zinc/10/87/77/188108777.db2.gz VBYLJCODCKDWJH-UHFFFAOYSA-N 1 0 235.331 1.953 10 30 BDEERO C=C1[NH+]=C2NC(=O)[C@H](C)[C@@H]2C(=O)C1CCCC ZINC000037637921 188113889 /nfs/dbraw/zinc/11/38/89/188113889.db2.gz JBBSGHIYRHHJDB-GMSGAONNSA-N 1 0 234.299 1.814 10 30 BDEERO N#CCCN(C(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000038099504 188116692 /nfs/dbraw/zinc/11/66/92/188116692.db2.gz MEUHDZBPWZGJGI-UHFFFAOYSA-N 1 0 235.331 1.281 10 30 BDEERO CCCCCNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037570083 168713500 /nfs/dbraw/zinc/71/35/00/168713500.db2.gz KXLWXJMMPJWUJO-UHFFFAOYSA-N 1 0 244.338 1.917 10 30 BDEERO C=CCN(C(=O)C1CCC([NH3+])CC1)C(C)C ZINC000037817787 188152888 /nfs/dbraw/zinc/15/28/88/188152888.db2.gz YPCJKXPBHZTTEA-UHFFFAOYSA-N 1 0 224.348 1.927 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccco1 ZINC000076584418 166373756 /nfs/dbraw/zinc/37/37/56/166373756.db2.gz DYMSNYQTJUZJTL-SECBINFHSA-N 1 0 208.261 1.014 10 30 BDEERO C#CCN1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000038091088 188177036 /nfs/dbraw/zinc/17/70/36/188177036.db2.gz QQEUXKFQMOYMRS-UHFFFAOYSA-N 1 0 249.383 1.639 10 30 BDEERO CC#CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674837 188184431 /nfs/dbraw/zinc/18/44/31/188184431.db2.gz FCTXOEDCFMNEII-UHFFFAOYSA-N 1 0 203.241 1.528 10 30 BDEERO C=C(C)COc1cc2c(cc1C[NH3+])OCO2 ZINC000042873751 188216929 /nfs/dbraw/zinc/21/69/29/188216929.db2.gz DMCQLVYCHKLTHX-UHFFFAOYSA-N 1 0 221.256 1.829 10 30 BDEERO C=C[C@H]([NH3+])CC(=O)OCc1ccccc1 ZINC000090734306 188208631 /nfs/dbraw/zinc/20/86/31/188208631.db2.gz NTUFPMQDCMGTCN-NSHDSACASA-N 1 0 205.257 1.633 10 30 BDEERO C=CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000188801213 353266752 /nfs/dbraw/zinc/26/67/52/353266752.db2.gz UJUFQPGAXXRPTA-NWDGAFQWSA-N 1 0 225.332 1.736 10 30 BDEERO C#CCn1c(C)[nH+]c(-c2cccnc2)c1N ZINC000104912180 188225131 /nfs/dbraw/zinc/22/51/31/188225131.db2.gz YHLAQMPFKTWXMI-UHFFFAOYSA-N 1 0 212.256 1.469 10 30 BDEERO C=CCc1ccccc1OCC1=[NH+]CCN1 ZINC000013805955 188225219 /nfs/dbraw/zinc/22/52/19/188225219.db2.gz YFPXOLILPOTYIP-UHFFFAOYSA-N 1 0 216.284 1.796 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035124226 166382514 /nfs/dbraw/zinc/38/25/14/166382514.db2.gz NTJXLVGUZYNLGT-WDEREUQCSA-N 1 0 233.315 1.423 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282208674 353466493 /nfs/dbraw/zinc/46/64/93/353466493.db2.gz DFNREUVTRNCMDH-JGVFFNPUSA-N 1 0 247.136 1.152 10 30 BDEERO C(#Cc1ccccc1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192010491 353531444 /nfs/dbraw/zinc/53/14/44/353531444.db2.gz RATWWYMDCQXPQO-MRXNPFEDSA-N 1 0 240.350 1.818 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1ccncc1C#N ZINC000399012684 353589268 /nfs/dbraw/zinc/58/92/68/353589268.db2.gz YZUJPHWTMBBHBF-NSHDSACASA-N 1 0 218.304 1.305 10 30 BDEERO COC(=O)[C@@H]1C(=O)C=C(NC2CC2)CC1(C)C ZINC000606303530 353859195 /nfs/dbraw/zinc/85/91/95/353859195.db2.gz RFGIXHDJWCKGOA-NSHDSACASA-N 1 0 237.299 1.411 10 30 BDEERO N#CCCN(C(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000038099428 181037291 /nfs/dbraw/zinc/03/72/91/181037291.db2.gz CTRXUTGCWLZNHW-NSHDSACASA-N 1 0 221.304 1.033 10 30 BDEERO N#CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732808 181043933 /nfs/dbraw/zinc/04/39/33/181043933.db2.gz RKVINMXZRQBVHU-GFCCVEGCSA-N 1 0 202.257 1.925 10 30 BDEERO N#CC[C@H](c1ccccc1)N1CC[C@H]([NH3+])C1 ZINC000055019670 181046368 /nfs/dbraw/zinc/04/63/68/181046368.db2.gz HDKAHZPFQSFRFP-QWHCGFSZSA-N 1 0 215.300 1.674 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000054825373 181059180 /nfs/dbraw/zinc/05/91/80/181059180.db2.gz AUPAOICEMUUJJR-JQWIXIFHSA-N 1 0 208.305 1.837 10 30 BDEERO N#C[C@H]1CCC[C@@H]1N1CCn2ccnc2C1 ZINC000062251882 181068471 /nfs/dbraw/zinc/06/84/71/181068471.db2.gz JAWJQYIMXHLWJF-MNOVXSKESA-N 1 0 216.288 1.391 10 30 BDEERO N#C[C@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000062072688 181068623 /nfs/dbraw/zinc/06/86/23/181068623.db2.gz LLNMQUZNNVNQMX-OLZOCXBDSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1(CO)CCCC1 ZINC000054829825 181069239 /nfs/dbraw/zinc/06/92/39/181069239.db2.gz BRDZCTZQOGVPHG-MNOVXSKESA-N 1 0 208.305 1.573 10 30 BDEERO N#Cc1cc(Cl)ccc1OCCC[NH3+] ZINC000052859379 181087157 /nfs/dbraw/zinc/08/71/57/181087157.db2.gz JIVUHOIUUDQTTF-UHFFFAOYSA-N 1 0 210.664 1.939 10 30 BDEERO N#Cc1cc(Cl)ccc1N[C@H]1C[C@@H]1[NH3+] ZINC000052858517 181087219 /nfs/dbraw/zinc/08/72/19/181087219.db2.gz ROKCKASRTJUNLN-WPRPVWTQSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1cc(OC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000061813102 181092430 /nfs/dbraw/zinc/09/24/30/181092430.db2.gz ADRMXBLFBWNOHR-SNVBAGLBSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000135502249 181109628 /nfs/dbraw/zinc/10/96/28/181109628.db2.gz UMROWLYEZZTIRF-BXKDBHETSA-N 1 0 236.340 1.870 10 30 BDEERO N#Cc1ccc(NCCOC2CC[NH2+]CC2)nc1 ZINC000104385359 181121655 /nfs/dbraw/zinc/12/16/55/181121655.db2.gz DJFAGTCWSOMPJZ-UHFFFAOYSA-N 1 0 246.314 1.134 10 30 BDEERO N#Cc1ccc(F)c(CN2CC[NH2+]CC2)c1 ZINC000019387967 181113074 /nfs/dbraw/zinc/11/30/74/181113074.db2.gz CEVXAEMEVFITGU-UHFFFAOYSA-N 1 0 219.263 1.103 10 30 BDEERO N#Cc1ccc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051883447 181128620 /nfs/dbraw/zinc/12/86/20/181128620.db2.gz SBMJAAQNMJBCMO-NSHDSACASA-N 1 0 217.272 1.474 10 30 BDEERO N#Cc1ccc2c(c1)[C@H]([NH3+])[C@H](O)CCC2 ZINC000039941538 181132649 /nfs/dbraw/zinc/13/26/49/181132649.db2.gz BDNILGXQAQWVGW-NEPJUHHUSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccc2c(c1)[C@@H]([NH3+])[C@@H](O)CCC2 ZINC000039941541 181132659 /nfs/dbraw/zinc/13/26/59/181132659.db2.gz BDNILGXQAQWVGW-NWDGAFQWSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000037999948 181145890 /nfs/dbraw/zinc/14/58/90/181145890.db2.gz ZKGZNVSQPFPYBP-CYBMUJFWSA-N 1 0 232.283 1.063 10 30 BDEERO N#Cc1ccccc1N[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC000063528156 181149279 /nfs/dbraw/zinc/14/92/79/181149279.db2.gz OPBOSOCRVDHYHG-JSGCOSHPSA-N 1 0 243.310 1.491 10 30 BDEERO N#Cc1ccccc1N[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC000063528153 181149283 /nfs/dbraw/zinc/14/92/83/181149283.db2.gz OPBOSOCRVDHYHG-TZMCWYRMSA-N 1 0 243.310 1.491 10 30 BDEERO N#Cc1cccnc1OC[C@H]1CCC[NH2+]1 ZINC000051866288 181154096 /nfs/dbraw/zinc/15/40/96/181154096.db2.gz FOADIJDCMURCON-SNVBAGLBSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1cccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000051871267 181154355 /nfs/dbraw/zinc/15/43/55/181154355.db2.gz FSHNUDRHTIQXRK-GFCCVEGCSA-N 1 0 231.299 1.864 10 30 BDEERO N#Cc1cccnc1[S@](=O)C[C@@H]1CCCC[NH2+]1 ZINC000095073465 181154671 /nfs/dbraw/zinc/15/46/71/181154671.db2.gz HETZIFPBQGMXCV-GTNSWQLSSA-N 1 0 249.339 1.203 10 30 BDEERO N#Cc1ccnc(NC2CC[NH2+]CC2)c1 ZINC000037116607 181156281 /nfs/dbraw/zinc/15/62/81/181156281.db2.gz JRVINDBZJZGPEQ-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO C=CC[NH2+]CCOc1ccc(OC)cc1 ZINC000041582064 166398630 /nfs/dbraw/zinc/39/86/30/166398630.db2.gz BUDGTENHPPFAQW-UHFFFAOYSA-N 1 0 207.273 1.850 10 30 BDEERO N#Cc1ccnc(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000038050604 181156975 /nfs/dbraw/zinc/15/69/75/181156975.db2.gz DYCHCGPKOLZLNO-GHMZBOCLSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1ccnc(O[C@H]2CCC[NH2+]C2)c1 ZINC000043220301 181157824 /nfs/dbraw/zinc/15/78/24/181157824.db2.gz MSAOSKOHNOFWQL-JTQLQIEISA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccsc1NC(=O)C1([NH3+])CCCC1 ZINC000040852064 181160787 /nfs/dbraw/zinc/16/07/87/181160787.db2.gz PPWKWCALWWZOBA-UHFFFAOYSA-N 1 0 235.312 1.830 10 30 BDEERO N#Cc1ncccc1C[NH2+]CC1CCC1 ZINC000061657327 181170119 /nfs/dbraw/zinc/17/01/19/181170119.db2.gz ZEMSCNVUCCQXAF-UHFFFAOYSA-N 1 0 201.273 1.843 10 30 BDEERO CN(C)[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608724 355404674 /nfs/dbraw/zinc/40/46/74/355404674.db2.gz MSEJCXOPRCOXTJ-GFCCVEGCSA-N 1 0 223.364 1.952 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1ccncc1C#N ZINC000399382240 356484846 /nfs/dbraw/zinc/48/48/46/356484846.db2.gz OMEDJOUMGSPLKI-NSHDSACASA-N 1 0 230.315 1.341 10 30 BDEERO C[C@H]1CN(c2ccncc2C#N)C[C@H]1[NH+](C)C ZINC000399362812 356470102 /nfs/dbraw/zinc/47/01/02/356470102.db2.gz IBKOADSKRFIDGM-GXFFZTMASA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384509184 356663085 /nfs/dbraw/zinc/66/30/85/356663085.db2.gz ZEECIYXBDSYYKY-GARJFASQSA-N 1 0 223.320 1.135 10 30 BDEERO CC(C)[NH+]1CCC2(CC1)OCC[C@@H]2C#N ZINC000675079757 538518927 /nfs/dbraw/zinc/51/89/27/538518927.db2.gz HROFFGUOLNXCDP-LLVKDONJSA-N 1 0 208.305 1.789 10 30 BDEERO C[C@H](C[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130696811 325080961 /nfs/dbraw/zinc/08/09/61/325080961.db2.gz NGQPUFHNZDESNP-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO CCOC1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000169197698 134249584 /nfs/dbraw/zinc/24/95/84/134249584.db2.gz XKEKNPXIUOGCMH-YYJSSNLHSA-N 1 0 208.305 1.836 10 30 BDEERO C[Si](C)(C)C#CC#Cc1c[nH+]ccc1N ZINC000584631097 358268124 /nfs/dbraw/zinc/26/81/24/358268124.db2.gz CALDMLKNDMWVHF-UHFFFAOYSA-N 1 0 214.344 1.896 10 30 BDEERO CC(C)(O)C#CC#CC[NH+]1CCCCC1 ZINC000584630698 358300577 /nfs/dbraw/zinc/30/05/77/358300577.db2.gz ZRVJLKOAAPUIFH-UHFFFAOYSA-N 1 0 205.301 1.250 10 30 BDEERO N#C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC000584636426 358321169 /nfs/dbraw/zinc/32/11/69/358321169.db2.gz DMDSRHXRNOWSTL-KGLIPLIRSA-N 1 0 230.311 1.435 10 30 BDEERO C[NH2+]CC/N=C/c1ccc(OC)cc1O ZINC000584638920 358324744 /nfs/dbraw/zinc/32/47/44/358324744.db2.gz WTPFGPGHPAQMJQ-MDWZMJQESA-N 1 0 208.261 1.039 10 30 BDEERO N#CC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000113163105 358447668 /nfs/dbraw/zinc/44/76/68/358447668.db2.gz LPOXETJIYPCJHZ-GFCCVEGCSA-N 1 0 247.342 1.377 10 30 BDEERO N#CC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000113163110 358448096 /nfs/dbraw/zinc/44/80/96/358448096.db2.gz LPOXETJIYPCJHZ-LBPRGKRZSA-N 1 0 247.342 1.377 10 30 BDEERO C[C@H]1CN(CCC(C)(C)C#N)C[C@@H]1[NH+](C)C ZINC000124155847 358514137 /nfs/dbraw/zinc/51/41/37/358514137.db2.gz UUFDFYVIGPPLEC-RYUDHWBXSA-N 1 0 223.364 1.808 10 30 BDEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC#N ZINC000175049963 134284459 /nfs/dbraw/zinc/28/44/59/134284459.db2.gz BKNMEJJJVQWHAO-QWHCGFSZSA-N 1 0 221.348 1.849 10 30 BDEERO CC[C@@H]1CN(C)CCC[N@@H+]1CCS ZINC000300361589 358976575 /nfs/dbraw/zinc/97/65/75/358976575.db2.gz BFLGFSDMMAXOHI-SNVBAGLBSA-N 1 0 202.367 1.332 10 30 BDEERO CC[NH+]1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891105 358936158 /nfs/dbraw/zinc/93/61/58/358936158.db2.gz LPXXJPBFDPCHNL-WCQYABFASA-N 1 0 221.348 1.753 10 30 BDEERO C=C(CS)CN1CC[N@H+](C)[C@H](C)C1 ZINC000299967018 358958664 /nfs/dbraw/zinc/95/86/64/358958664.db2.gz UYKNBYMMRCDEBV-SNVBAGLBSA-N 1 0 200.351 1.108 10 30 BDEERO C=C(C)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246548331 359144949 /nfs/dbraw/zinc/14/49/49/359144949.db2.gz TYPLBJMMKPVTOO-QWHCGFSZSA-N 1 0 224.348 1.215 10 30 BDEERO N#CCC[C@H](C#N)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246826602 359167331 /nfs/dbraw/zinc/16/73/31/359167331.db2.gz NXOJPIQTFJWBIH-KGLIPLIRSA-N 1 0 246.358 1.600 10 30 BDEERO CC[C@@H]([NH3+])CC(=O)C#Cc1ccccc1 ZINC000306295796 359535260 /nfs/dbraw/zinc/53/52/60/359535260.db2.gz BRMRTTMVVXULPG-GFCCVEGCSA-N 1 0 201.269 1.735 10 30 BDEERO C[C@@H](CS)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000306312780 359594055 /nfs/dbraw/zinc/59/40/55/359594055.db2.gz NVCMDAGIGNXAHM-BDAKNGLRSA-N 1 0 203.351 1.398 10 30 BDEERO N#Cc1cc(Br)cnc1OCC[NH3+] ZINC000306357404 359685059 /nfs/dbraw/zinc/68/50/59/359685059.db2.gz VUNGJOOWASJIBW-UHFFFAOYSA-N 1 0 242.076 1.053 10 30 BDEERO C#CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000045945693 359746086 /nfs/dbraw/zinc/74/60/86/359746086.db2.gz UNUNWBPCYRRTAX-OAHLLOKOSA-N 1 0 245.322 1.967 10 30 BDEERO CC#CC[C@H]([NH3+])c1cnn(C)c1Br ZINC000306478114 360125121 /nfs/dbraw/zinc/12/51/21/360125121.db2.gz ZFYOMUAYLJXNAU-QMMMGPOBSA-N 1 0 242.120 1.596 10 30 BDEERO C#CCNc1cc(N)[nH+]cc1Br ZINC000306554782 360427757 /nfs/dbraw/zinc/42/77/57/360427757.db2.gz LOQDUBFIPKCUMP-UHFFFAOYSA-N 1 0 226.077 1.471 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H](CC)C1CCOCC1 ZINC000309527499 491150007 /nfs/dbraw/zinc/15/00/07/491150007.db2.gz CUYVSBYSVGEOLW-STQMWFEESA-N 1 0 227.348 1.718 10 30 BDEERO NC(=[NH2+])Nc1ncc(C(F)(F)F)cc1Cl ZINC000013436511 181324613 /nfs/dbraw/zinc/32/46/13/181324613.db2.gz DTNJKRCFOIHMNJ-UHFFFAOYSA-N 1 0 238.600 1.659 10 30 BDEERO [NH3+]CC#Cc1ccc(COC2CCOCC2)cc1 ZINC000049611156 181346102 /nfs/dbraw/zinc/34/61/02/181346102.db2.gz UPQAOIOOBNIRJG-UHFFFAOYSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1ccc(COC[C@H]2CCOC2)cc1 ZINC000049691101 181345893 /nfs/dbraw/zinc/34/58/93/181345893.db2.gz XPYQLHGPJCYJGZ-HNNXBMFYSA-N 1 0 245.322 1.550 10 30 BDEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)NC1CC1 ZINC000037569872 181346417 /nfs/dbraw/zinc/34/64/17/181346417.db2.gz OBDJEUJIAYRWKO-UHFFFAOYSA-N 1 0 232.258 1.028 10 30 BDEERO [NH3+]CC#Cc1ccc(C(=O)NC2CCCC2)cc1 ZINC000037569882 181346479 /nfs/dbraw/zinc/34/64/79/181346479.db2.gz QWCUXGZRHLUXBO-UHFFFAOYSA-N 1 0 242.322 1.669 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)ccc1C#N ZINC000600951140 364373596 /nfs/dbraw/zinc/37/35/96/364373596.db2.gz HPRHCJRVLSWJNQ-NWDGAFQWSA-N 1 0 230.315 1.814 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)ccn1 ZINC000600952146 364374891 /nfs/dbraw/zinc/37/48/91/364374891.db2.gz RPRFGRZYOJKCHA-WDEREUQCSA-N 1 0 216.288 1.506 10 30 BDEERO CCN(CC[NH3+])c1cc(C#N)ccc1[N+](=O)[O-] ZINC000122846711 364628251 /nfs/dbraw/zinc/62/82/51/364628251.db2.gz RZAWYWVAISGDQF-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C[C@@H]1CC[C@@H](SC(N)=[NH+]N)C[C@H]1C ZINC000252664825 364756037 /nfs/dbraw/zinc/75/60/37/364756037.db2.gz PZBPUTWPKRYKMP-BWZBUEFSSA-N 1 0 201.339 1.733 10 30 BDEERO N#Cc1ncccc1NCC1CC[NH2+]CC1 ZINC000131038261 370863161 /nfs/dbraw/zinc/86/31/61/370863161.db2.gz VQLGZPGFXJQODX-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO CN(C)/C=C(\C=[N+](C)C)OCc1ccccc1 ZINC000059512520 368419527 /nfs/dbraw/zinc/41/95/27/368419527.db2.gz SDVXVWGWORWIOG-UHFFFAOYSA-N 1 0 233.335 1.949 10 30 BDEERO Cc1cc(CN2CCC[C@H](C=O)C2)on1 ZINC000054219283 368948067 /nfs/dbraw/zinc/94/80/67/368948067.db2.gz ZIHPZVAEEYXQOM-JTQLQIEISA-N 1 0 208.261 1.394 10 30 BDEERO O=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000054237423 369061823 /nfs/dbraw/zinc/06/18/23/369061823.db2.gz CZRYOLYRHAELBX-NEPJUHHUSA-N 1 0 211.305 1.609 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000054829513 369101664 /nfs/dbraw/zinc/10/16/64/369101664.db2.gz DTJRSZAKDHUXQH-DDHJBXDOSA-N 1 0 208.305 1.572 10 30 BDEERO NC(=[NH2+])N=NC1CCCN(Cc2ccccc2)C1 ZINC000107201623 369338404 /nfs/dbraw/zinc/33/84/04/369338404.db2.gz HAHYZKIIGZSKSB-VBKFSLOCSA-N 1 0 245.330 1.121 10 30 BDEERO C=CCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404079317 369418653 /nfs/dbraw/zinc/41/86/53/369418653.db2.gz OTHUZUCDTGCGSU-VXGBXAGGSA-N 1 0 210.321 1.015 10 30 BDEERO CCC[C@@H]([NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405080135 369444432 /nfs/dbraw/zinc/44/44/32/369444432.db2.gz FQDVJZGDIMLESD-CYBMUJFWSA-N 1 0 243.310 1.528 10 30 BDEERO Cc1ccnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1C#N ZINC000600956244 369576059 /nfs/dbraw/zinc/57/60/59/369576059.db2.gz YHGWRWUDZFKVFX-GHMZBOCLSA-N 1 0 230.315 1.814 10 30 BDEERO N#Cc1cc(N2CCCCC[C@@H]([NH3+])C2)ncn1 ZINC000600958774 369576476 /nfs/dbraw/zinc/57/64/76/369576476.db2.gz KJEVQYUUTZOCLJ-SNVBAGLBSA-N 1 0 231.303 1.056 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C#N)cc1)C2 ZINC000600955611 369576520 /nfs/dbraw/zinc/57/65/20/369576520.db2.gz FAIBFQYLWHNWMY-GASCZTMLSA-N 1 0 241.338 1.994 10 30 BDEERO C[C@H]1CC[C@H](Nc2ccc(C#N)nc2)C[NH2+]1 ZINC000600955063 369575478 /nfs/dbraw/zinc/57/54/78/369575478.db2.gz JJXSSDBCRPVPBG-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000600957323 369575557 /nfs/dbraw/zinc/57/55/57/369575557.db2.gz NDOOXZPSDXIIQF-GXSJLCMTSA-N 1 0 216.288 1.424 10 30 BDEERO Cc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1C#N ZINC000600955265 369578287 /nfs/dbraw/zinc/57/82/87/369578287.db2.gz LJXCBSDMESQJSV-SKDRFNHKSA-N 1 0 230.315 1.236 10 30 BDEERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)cc(C#N)n1 ZINC000600954399 369578590 /nfs/dbraw/zinc/57/85/90/369578590.db2.gz AOWHJYYPYNDDQF-ONGXEEELSA-N 1 0 230.315 1.236 10 30 BDEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1C[NH3+] ZINC000600961494 369579224 /nfs/dbraw/zinc/57/92/24/369579224.db2.gz ROYSBMJTGGBQON-ZJUUUORDSA-N 1 0 233.290 1.728 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000600963114 369579573 /nfs/dbraw/zinc/57/95/73/369579573.db2.gz SDGLPCUSYFJIAO-SCZZXKLOSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1cccc(F)c1C#N ZINC000600962525 369579782 /nfs/dbraw/zinc/57/97/82/369579782.db2.gz FRRADQGHWQXZGB-RKDXNWHRSA-N 1 0 219.263 1.623 10 30 BDEERO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)cc(C#N)n1 ZINC000600962793 369580130 /nfs/dbraw/zinc/58/01/30/369580130.db2.gz MJJRXLZQTLUCJC-NXEZZACHSA-N 1 0 216.288 1.188 10 30 BDEERO CO[C@]1(C[NH2+][C@H]2CCC[C@H]2C#N)CCOC1 ZINC000252834473 370135719 /nfs/dbraw/zinc/13/57/19/370135719.db2.gz RGKSTBVJPMXSIT-SRVKXCTJSA-N 1 0 224.304 1.074 10 30 BDEERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309910243 370274596 /nfs/dbraw/zinc/27/45/96/370274596.db2.gz MGNJJSSWYZSNQR-QNWHQSFQSA-N 1 0 221.348 1.608 10 30 BDEERO N#Cc1ccc([N+](=O)[O-])cc1OCCCC[NH3+] ZINC000113657631 370450020 /nfs/dbraw/zinc/45/00/20/370450020.db2.gz AJXWMSPTSJWPLB-UHFFFAOYSA-N 1 0 235.243 1.584 10 30 BDEERO C=CCN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1ccco1 ZINC000248025970 259546167 /nfs/dbraw/zinc/54/61/67/259546167.db2.gz WGCMFQXHOACCJP-CHWSQXEVSA-N 1 0 246.310 1.641 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cnc(C#N)cn1 ZINC000092631293 371106991 /nfs/dbraw/zinc/10/69/91/371106991.db2.gz SXDRHNBFIIAJJE-LBPRGKRZSA-N 1 0 245.330 1.269 10 30 BDEERO N#Cc1cc(NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000131793969 371677897 /nfs/dbraw/zinc/67/78/97/371677897.db2.gz HPXWSPFVDLNOMC-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO CN(CCC[NH3+])c1ccc(F)cc1C#N ZINC000227749810 371928580 /nfs/dbraw/zinc/92/85/80/371928580.db2.gz ACUAQHNPERMIBR-UHFFFAOYSA-N 1 0 207.252 1.482 10 30 BDEERO CN(CCC[NH3+])c1cccc(F)c1C#N ZINC000227749706 371928987 /nfs/dbraw/zinc/92/89/87/371928987.db2.gz YZNIKSHOKQBHRH-UHFFFAOYSA-N 1 0 207.252 1.482 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000132951872 371956848 /nfs/dbraw/zinc/95/68/48/371956848.db2.gz LLGANCQACGPENA-ZANVPECISA-N 1 0 249.289 1.250 10 30 BDEERO O=C(C#Cc1ccccc1)NCC[C@@H]1CC[NH2+]C1 ZINC000104357813 181852456 /nfs/dbraw/zinc/85/24/56/181852456.db2.gz NJMRVYKTIYRFME-AWEZNQCLSA-N 1 0 242.322 1.154 10 30 BDEERO CC1(O)C[NH+](CC2(C=O)CCCCC2)C1 ZINC000306682860 372054563 /nfs/dbraw/zinc/05/45/63/372054563.db2.gz SSYHETAZIKWKLS-UHFFFAOYSA-N 1 0 211.305 1.202 10 30 BDEERO C=C([C@H]([NH3+])[C@@H]1OCC[C@H]1C)C(F)(F)F ZINC000307759508 372145961 /nfs/dbraw/zinc/14/59/61/372145961.db2.gz RXDPDZGADJTTDC-MHSYXAOVSA-N 1 0 209.211 1.857 10 30 BDEERO C[C@H]1CC[C@H](Nc2cc(C#N)ccn2)C[NH2+]1 ZINC000142530167 373583592 /nfs/dbraw/zinc/58/35/92/373583592.db2.gz LMJPFXLUWFUXEI-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO N[NH+]=C(NC1CCCC1)[C@H]1CCCS1 ZINC000070005320 374109224 /nfs/dbraw/zinc/10/92/24/374109224.db2.gz QVMKICPFKNRHIL-SECBINFHSA-N 1 0 213.350 1.686 10 30 BDEERO Cc1cc(Br)ccc1C(N)=[NH+]N ZINC000042038669 374234248 /nfs/dbraw/zinc/23/42/48/374234248.db2.gz AWMBOUPKDOGLQK-UHFFFAOYSA-N 1 0 228.093 1.337 10 30 BDEERO OCC[N@@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000095078897 183076656 /nfs/dbraw/zinc/07/66/56/183076656.db2.gz WPEUWJSWHVVIJU-GHMZBOCLSA-N 1 0 215.362 1.401 10 30 BDEERO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[NH3+] ZINC000037809155 169176112 /nfs/dbraw/zinc/17/61/12/169176112.db2.gz XXPWUYYMDXBFSS-UHFFFAOYSA-N 1 0 245.326 1.646 10 30 BDEERO CC[C@@](C)([NH3+])C#Cc1csc(OC)n1 ZINC000306684317 383877562 /nfs/dbraw/zinc/87/75/62/383877562.db2.gz ZNYKEBXNUCJVQZ-SNVBAGLBSA-N 1 0 210.302 1.631 10 30 BDEERO N#Cc1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000135560403 384177147 /nfs/dbraw/zinc/17/71/47/384177147.db2.gz RGEVIAOKOZSXMU-UHFFFAOYSA-N 1 0 206.245 1.012 10 30 BDEERO C#CCCNC(=[NH+]C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261621821 533044544 /nfs/dbraw/zinc/04/45/44/533044544.db2.gz BLFSVTHROQOGEJ-STQMWFEESA-N 1 0 233.359 1.707 10 30 BDEERO C[C@@H](CC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000336728124 384259276 /nfs/dbraw/zinc/25/92/76/384259276.db2.gz WJYYTNLLWCIOIJ-VIFPVBQESA-N 1 0 230.315 1.591 10 30 BDEERO Cc1ccnc(N[C@H](CC[NH3+])C(F)F)c1C#N ZINC000394762941 384264700 /nfs/dbraw/zinc/26/47/00/384264700.db2.gz ACIDCHHRYZSWIQ-SECBINFHSA-N 1 0 240.257 1.656 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)c(Cl)c1 ZINC000335607550 384320477 /nfs/dbraw/zinc/32/04/77/384320477.db2.gz GTQLEXZJCAYEHT-MRVPVSSYSA-N 1 0 223.707 1.995 10 30 BDEERO CC[C@H](O)C[NH+]1CCN(CCCCC#N)CC1 ZINC000174090609 384299423 /nfs/dbraw/zinc/29/94/23/384299423.db2.gz SNPDQMICGBDXEX-ZDUSSCGKSA-N 1 0 239.363 1.069 10 30 BDEERO C[C@@H](C[NH3+])C(=O)Nc1sccc1C#N ZINC000054344529 384459126 /nfs/dbraw/zinc/45/91/26/384459126.db2.gz ACOJKSRPXKGYLX-LURJTMIESA-N 1 0 209.274 1.153 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccnc(C#N)c2)C1 ZINC000071130152 384637641 /nfs/dbraw/zinc/63/76/41/384637641.db2.gz AXQSNBCDDFSSGT-LBPRGKRZSA-N 1 0 216.288 1.094 10 30 BDEERO Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)C2)c1C#N ZINC000135077910 385147926 /nfs/dbraw/zinc/14/79/26/385147926.db2.gz WRNXKZYISRPYJE-LBPRGKRZSA-N 1 0 244.342 1.650 10 30 BDEERO Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])cc(C#N)n1 ZINC000308237596 385411923 /nfs/dbraw/zinc/41/19/23/385411923.db2.gz HGTLIERMDHRPAA-QMTHXVAHSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)cc(C#N)n1 ZINC000308246032 385413685 /nfs/dbraw/zinc/41/36/85/385413685.db2.gz VASPQLDWMQJIMN-SKDRFNHKSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cccc(C#N)n1 ZINC000309488738 385610922 /nfs/dbraw/zinc/61/09/22/385610922.db2.gz YXNIEJMULJIBKV-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO Cc1ccnc(N[C@@H](C)CC[NH3+])c1C#N ZINC000308958747 385657871 /nfs/dbraw/zinc/65/78/71/385657871.db2.gz ZXSKZRPHBJAKIT-VIFPVBQESA-N 1 0 204.277 1.411 10 30 BDEERO Cc1cc(NCC2([NH3+])CCCCC2)c(C#N)cn1 ZINC000399008705 386550193 /nfs/dbraw/zinc/55/01/93/386550193.db2.gz VZHFSIOPJCLKMP-UHFFFAOYSA-N 1 0 244.342 1.757 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382464236 386614189 /nfs/dbraw/zinc/61/41/89/386614189.db2.gz YZZYBLCWRDQAFR-JQWIXIFHSA-N 1 0 230.315 1.801 10 30 BDEERO C[C@@]1(C#N)CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575478458 387162061 /nfs/dbraw/zinc/16/20/61/387162061.db2.gz GHKVHMUDJNOPRQ-AWEZNQCLSA-N 1 0 242.326 1.947 10 30 BDEERO C#CC[C@H]([NH3+])c1c(Br)cnn1C ZINC000575483210 387181216 /nfs/dbraw/zinc/18/12/16/387181216.db2.gz OJNTURRIWCOUHA-ZETCQYMHSA-N 1 0 228.093 1.206 10 30 BDEERO C=C(C)[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575482506 387191360 /nfs/dbraw/zinc/19/13/60/387191360.db2.gz KTUNDZGKPCKIDQ-SSDOTTSWSA-N 1 0 230.109 1.759 10 30 BDEERO C=C(Br)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000575592203 387211379 /nfs/dbraw/zinc/21/13/79/387211379.db2.gz ZFJCINXGSNPDNP-YUMQZZPRSA-N 1 0 219.126 1.317 10 30 BDEERO CCC[C@H](C(=O)N(CC)C[C@H](C)C#N)[NH+](C)C ZINC000161632039 387244968 /nfs/dbraw/zinc/24/49/68/387244968.db2.gz AOGDIQXOSMEFKU-VXGBXAGGSA-N 1 0 239.363 1.725 10 30 BDEERO C[C@H]1C[C@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575513097 387384264 /nfs/dbraw/zinc/38/42/64/387384264.db2.gz ZHEMFRJBCDWJDG-GXTWGEPZSA-N 1 0 229.327 1.810 10 30 BDEERO C[C@H]1CSC(NCC2SCCS2)=[NH+]1 ZINC000575498161 387329117 /nfs/dbraw/zinc/32/91/17/387329117.db2.gz UEQODXJTOPXPGD-LURJTMIESA-N 1 0 234.415 1.873 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CC[C@@H]1O ZINC000575539077 387583907 /nfs/dbraw/zinc/58/39/07/387583907.db2.gz WEHMKTYQSQHHKQ-BQBZGAKWSA-N 1 0 206.083 1.008 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]CCCSCC#N ZINC000348191249 134609442 /nfs/dbraw/zinc/60/94/42/134609442.db2.gz UNVFNWPLFZZRFH-NXEZZACHSA-N 1 0 214.334 1.400 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575558731 387697959 /nfs/dbraw/zinc/69/79/59/387697959.db2.gz RQJFLINXKPQQDX-UWVGGRQHSA-N 1 0 245.164 1.436 10 30 BDEERO O=C1C=CC(=O)c2c(C3CC[NH2+]CC3)c[nH]c21 ZINC000575627695 387826120 /nfs/dbraw/zinc/82/61/20/387826120.db2.gz ZPQNDFWJLOPFRZ-UHFFFAOYSA-N 1 0 230.267 1.417 10 30 BDEERO C#CCN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000105837827 387931354 /nfs/dbraw/zinc/93/13/54/387931354.db2.gz CDTWUDDOSGXEIV-ZDUSSCGKSA-N 1 0 224.348 1.052 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236139512 388378199 /nfs/dbraw/zinc/37/81/99/388378199.db2.gz JSMHYEIFCUUFOT-IUCAKERBSA-N 1 0 218.247 1.550 10 30 BDEERO N#Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245765091 388432074 /nfs/dbraw/zinc/43/20/74/388432074.db2.gz QNUFGWUJETZUDU-NSHDSACASA-N 1 0 231.299 1.431 10 30 BDEERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308242028 388434082 /nfs/dbraw/zinc/43/40/82/388434082.db2.gz RFQFALFAWFVCDH-LLVKDONJSA-N 1 0 230.315 1.673 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000107037950 388599028 /nfs/dbraw/zinc/59/90/28/388599028.db2.gz YKKNQSRJDLXKTL-GFCCVEGCSA-N 1 0 233.290 1.838 10 30 BDEERO Cc1cc(N[C@H]2CC[NH2+]C2)cc(C#N)n1 ZINC000308237835 388658691 /nfs/dbraw/zinc/65/86/91/388658691.db2.gz HQCQXURTZMWMCK-VIFPVBQESA-N 1 0 202.261 1.036 10 30 BDEERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095075891 388757826 /nfs/dbraw/zinc/75/78/26/388757826.db2.gz CNNOUORXMZSENV-KBPBESRZSA-N 1 0 230.311 1.725 10 30 BDEERO C[C@@H](C=O)[N@@H+]1CCSC(C)(C)CC1 ZINC000575453818 388752878 /nfs/dbraw/zinc/75/28/78/388752878.db2.gz UCNNERQHEKNFTR-VIFPVBQESA-N 1 0 201.335 1.791 10 30 BDEERO C=C(Br)CN1C[C@H]([NH3+])CC[C@H]1C ZINC000575481799 388864101 /nfs/dbraw/zinc/86/41/01/388864101.db2.gz PTZWVDGVAREJNT-RKDXNWHRSA-N 1 0 233.153 1.707 10 30 BDEERO N#Cc1ccccc1N1CCCC[C@@H]1C[NH3+] ZINC000044559438 132354369 /nfs/dbraw/zinc/35/43/69/132354369.db2.gz ZKTOJYHWDCSVEF-GFCCVEGCSA-N 1 0 215.300 1.876 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC000053712221 132363700 /nfs/dbraw/zinc/36/37/00/132363700.db2.gz HOKBAMPKZHOJNP-VXGBXAGGSA-N 1 0 244.342 1.757 10 30 BDEERO C#CCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000173512110 134275324 /nfs/dbraw/zinc/27/53/24/134275324.db2.gz KBSYRPBTHYHNMW-CHWSQXEVSA-N 1 0 249.358 1.278 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000226618793 134368187 /nfs/dbraw/zinc/36/81/87/134368187.db2.gz DTJRSZAKDHUXQH-YFKTTZPYSA-N 1 0 208.305 1.572 10 30 BDEERO N#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337273397 135009725 /nfs/dbraw/zinc/00/97/25/135009725.db2.gz CRSLVKIMANTPJJ-YNEHKIRRSA-N 1 0 222.332 1.916 10 30 BDEERO C[C@H](C#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248471775 135011748 /nfs/dbraw/zinc/01/17/48/135011748.db2.gz VWFFZQWZGSAKTG-MBNYWOFBSA-N 1 0 233.359 1.847 10 30 BDEERO C[C@@H](C#N)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248457502 135012025 /nfs/dbraw/zinc/01/20/25/135012025.db2.gz MIQFJNQUYGVESW-RYUDHWBXSA-N 1 0 207.321 1.316 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000248874570 135023357 /nfs/dbraw/zinc/02/33/57/135023357.db2.gz IXWDEEAVSUVUTF-WOPDTQHZSA-N 1 0 245.330 1.265 10 30 BDEERO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)O1 ZINC000251977120 135082030 /nfs/dbraw/zinc/08/20/30/135082030.db2.gz YLUGNPNYEUFHMP-KKOKHZNYSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C#N ZINC000252661490 135094699 /nfs/dbraw/zinc/09/46/99/135094699.db2.gz LEHLIVJIGSJBRS-RYUDHWBXSA-N 1 0 249.358 1.621 10 30 BDEERO CC[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[C@H]1C ZINC000262858738 135122818 /nfs/dbraw/zinc/12/28/18/135122818.db2.gz YTEQVXBONOANQN-GHMZBOCLSA-N 1 0 240.395 1.290 10 30 BDEERO Cc1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1C#N ZINC000261571092 135212727 /nfs/dbraw/zinc/21/27/27/135212727.db2.gz KUPJHAMSNHRINH-ZWNOBZJWSA-N 1 0 244.342 1.825 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)C[C@@H]1CCOC1 ZINC000261658561 135243309 /nfs/dbraw/zinc/24/33/09/135243309.db2.gz NPKJBSKCESTTJZ-WDEREUQCSA-N 1 0 239.363 1.329 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@H]1CCO[C@@H]1C(C)C ZINC000261688396 135245716 /nfs/dbraw/zinc/24/57/16/135245716.db2.gz ROGNMGTYZOPXAR-VXGBXAGGSA-N 1 0 239.363 1.528 10 30 BDEERO C[NH+]=C(NC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000262403611 135295323 /nfs/dbraw/zinc/29/53/23/135295323.db2.gz OCIROABDCLTQDQ-LLVKDONJSA-N 1 0 249.289 1.587 10 30 BDEERO C[NH+]=C(NC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000262403613 135295359 /nfs/dbraw/zinc/29/53/59/135295359.db2.gz OCIROABDCLTQDQ-NSHDSACASA-N 1 0 249.289 1.587 10 30 BDEERO CNC(N[C@@H]1COc2ccc(F)cc21)=[NH+]C ZINC000262386431 135298305 /nfs/dbraw/zinc/29/83/05/135298305.db2.gz LKVZANSZCUZJHI-SECBINFHSA-N 1 0 223.251 1.054 10 30 BDEERO [NH2+]=C(NC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000262391560 135298614 /nfs/dbraw/zinc/29/86/14/135298614.db2.gz MGACZVVTBPJLHL-SNVBAGLBSA-N 1 0 235.262 1.326 10 30 BDEERO [NH2+]=C(NC[C@H]1CCC[C@H]1O)N1CCCCCC1 ZINC000262530436 135304167 /nfs/dbraw/zinc/30/41/67/135304167.db2.gz PKVJJKHWYPWRHJ-VXGBXAGGSA-N 1 0 239.363 1.338 10 30 BDEERO CC(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262541076 135304571 /nfs/dbraw/zinc/30/45/71/135304571.db2.gz SAERDIMNJDPGOO-GHMZBOCLSA-N 1 0 241.379 1.750 10 30 BDEERO [NH2+]=C(N[C@@H]1COc2ccccc21)N1CCC1 ZINC000263076763 135330995 /nfs/dbraw/zinc/33/09/95/135330995.db2.gz HFIVQJPEACNZQL-SNVBAGLBSA-N 1 0 217.272 1.141 10 30 BDEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)N1CCC1 ZINC000263120586 135334409 /nfs/dbraw/zinc/33/44/09/135334409.db2.gz MAIXJNWCHHLOFH-UHFFFAOYSA-N 1 0 235.253 1.739 10 30 BDEERO C[C@H]1CN(C(=[NH2+])N[C@@H]2CCC2(C)C)CCO1 ZINC000263140083 135335030 /nfs/dbraw/zinc/33/50/30/135335030.db2.gz JJQOBWJXICCHGL-VHSXEESVSA-N 1 0 225.336 1.210 10 30 BDEERO C[NH+]=C(NCc1ccc(C#N)s1)NC1CC1 ZINC000263212940 135340403 /nfs/dbraw/zinc/34/04/03/135340403.db2.gz ZIZJOOPLELHMSR-UHFFFAOYSA-N 1 0 234.328 1.447 10 30 BDEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@H]1CC1(C)C ZINC000263226498 135340967 /nfs/dbraw/zinc/34/09/67/135340967.db2.gz GPRLZMRJALNNFE-ZJUUUORDSA-N 1 0 211.353 1.994 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1cccc(C#N)n1 ZINC000081597666 135387927 /nfs/dbraw/zinc/38/79/27/135387927.db2.gz VSPIDDHXLVXNSI-NSHDSACASA-N 1 0 218.304 1.739 10 30 BDEERO N#CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000079840034 135397107 /nfs/dbraw/zinc/39/71/07/135397107.db2.gz UCHQMPYBROMXJN-NWDGAFQWSA-N 1 0 208.305 1.525 10 30 BDEERO C#CCNC(=O)COc1ccccc1[C@H]([NH3+])CC ZINC000037698556 166173150 /nfs/dbraw/zinc/17/31/50/166173150.db2.gz BVQNORBEWZOSND-GFCCVEGCSA-N 1 0 246.310 1.225 10 30 BDEERO C#CC[NH2+]CCN1CCc2sccc2[C@@H]1C ZINC000053391552 166187140 /nfs/dbraw/zinc/18/71/40/166187140.db2.gz WJCFOEZXEBQHQB-NSHDSACASA-N 1 0 234.368 1.890 10 30 BDEERO C#CC[NH2+]CCSc1ncnc2ccccc21 ZINC000053623419 166188037 /nfs/dbraw/zinc/18/80/37/166188037.db2.gz YWIHBSCRACGWKE-UHFFFAOYSA-N 1 0 243.335 1.945 10 30 BDEERO C#CCOc1cc(OCCC)ccc1CC[NH3+] ZINC000037719787 166197905 /nfs/dbraw/zinc/19/79/05/166197905.db2.gz QPSRKMCOLHZDDH-UHFFFAOYSA-N 1 0 233.311 1.989 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC000083350594 166206474 /nfs/dbraw/zinc/20/64/74/166206474.db2.gz CSGCJRYSOZMVGE-LBPRGKRZSA-N 1 0 220.316 1.344 10 30 BDEERO C=CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000308890834 166267566 /nfs/dbraw/zinc/26/75/66/166267566.db2.gz XMCHRKILNFZMMH-CMPLNLGQSA-N 1 0 208.305 1.209 10 30 BDEERO C=CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000308890837 166267651 /nfs/dbraw/zinc/26/76/51/166267651.db2.gz XMCHRKILNFZMMH-ZYHUDNBSSA-N 1 0 208.305 1.209 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000070502823 166310818 /nfs/dbraw/zinc/31/08/18/166310818.db2.gz UECBLYLNOFRBJL-RYUDHWBXSA-N 1 0 224.348 1.927 10 30 BDEERO C=CC[NH+](CC=C)C[C@@H](O)c1cccnc1 ZINC000062355416 166335834 /nfs/dbraw/zinc/33/58/34/166335834.db2.gz DELIUGZWXZOUOM-CYBMUJFWSA-N 1 0 218.300 1.789 10 30 BDEERO C=CCN(Cc1cccc(C)c1)C(=O)CC[NH3+] ZINC000033464768 166346355 /nfs/dbraw/zinc/34/63/55/166346355.db2.gz AXICYNQAVTYUDB-UHFFFAOYSA-N 1 0 232.327 1.858 10 30 BDEERO C=CC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178286274 166356372 /nfs/dbraw/zinc/35/63/72/166356372.db2.gz XHCBAPLMBJWYNQ-LBPRGKRZSA-N 1 0 205.305 1.842 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1cccc(C)c1 ZINC000057520896 166374672 /nfs/dbraw/zinc/37/46/72/166374672.db2.gz ICUAKLLJAQZYAU-CYBMUJFWSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)[C@@H](C)N(CCC#N)CC(C)C ZINC000049800868 166382036 /nfs/dbraw/zinc/38/20/36/166382036.db2.gz WJRZAZJBBQWKQZ-GFCCVEGCSA-N 1 0 237.347 1.549 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1 ZINC000076615059 166384327 /nfs/dbraw/zinc/38/43/27/166384327.db2.gz DLPSGHZZFGJWSE-ZDUSSCGKSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)[C@@H](C)OCC[C@H]1CCCC[NH2+]1 ZINC000051861772 166385535 /nfs/dbraw/zinc/38/55/35/166385535.db2.gz ULIKVUWJPGTZOQ-VXGBXAGGSA-N 1 0 240.347 1.226 10 30 BDEERO C=CCNC(=O)[C@H](C)OCC[C@@H]1CCC[NH2+]C1 ZINC000051917368 166389017 /nfs/dbraw/zinc/38/90/17/166389017.db2.gz GHGNCMLHCBIJQA-RYUDHWBXSA-N 1 0 240.347 1.083 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000095081792 166398652 /nfs/dbraw/zinc/39/86/52/166398652.db2.gz VXDVRVCOFHQTCX-UHFFFAOYSA-N 1 0 248.282 1.187 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020033716 166398840 /nfs/dbraw/zinc/39/88/40/166398840.db2.gz OYNBCBRGCAYDML-UHFFFAOYSA-N 1 0 204.273 1.709 10 30 BDEERO C=CCOc1ccc(C=NNC(N)=[NH2+])cc1OC ZINC000035729959 166424328 /nfs/dbraw/zinc/42/43/28/166424328.db2.gz FTLQBOLAVCCDQI-NVNXTCNLSA-N 1 0 248.286 1.077 10 30 BDEERO CC(C)NC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049587488 167074684 /nfs/dbraw/zinc/07/46/84/167074684.db2.gz FSWZQLORXMGYRC-UHFFFAOYSA-N 1 0 245.326 1.204 10 30 BDEERO CC(C)NC(=O)[C@@H](C)N(C)[C@@H](C)CC#N ZINC000063095542 167079292 /nfs/dbraw/zinc/07/92/92/167079292.db2.gz YVBMCTSSDHOKGF-VHSXEESVSA-N 1 0 211.309 1.133 10 30 BDEERO CC(C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000037748697 167096607 /nfs/dbraw/zinc/09/66/07/167096607.db2.gz LXKCSNYXILMZDS-UHFFFAOYSA-N 1 0 231.299 1.172 10 30 BDEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000659330684 411395450 /nfs/dbraw/zinc/39/54/50/411395450.db2.gz ZOQREKRJKBXNAO-AVGNSLFASA-N 1 0 236.359 1.847 10 30 BDEERO CC[N@@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000037644703 170016577 /nfs/dbraw/zinc/01/65/77/170016577.db2.gz XUOVNPYENLZATK-LLVKDONJSA-N 1 0 230.315 1.707 10 30 BDEERO CC[NH2+]CCC(=O)Nc1cccc(F)c1C#N ZINC000061289602 170111562 /nfs/dbraw/zinc/11/15/62/170111562.db2.gz CGNVVUUPBGAEPD-UHFFFAOYSA-N 1 0 235.262 1.635 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000038043409 170112667 /nfs/dbraw/zinc/11/26/67/170112667.db2.gz TVKOXANXADYVSF-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO CC[NH2+][C@@H](C)CC(=O)NCc1cccc(C#N)c1 ZINC000061271446 170138904 /nfs/dbraw/zinc/13/89/04/170138904.db2.gz NRMJOUDWWXJQHK-NSHDSACASA-N 1 0 245.326 1.563 10 30 BDEERO CC[NH2+][C@H](C)CC(=O)NCc1cccc(C#N)c1 ZINC000061271447 170156755 /nfs/dbraw/zinc/15/67/55/170156755.db2.gz NRMJOUDWWXJQHK-LLVKDONJSA-N 1 0 245.326 1.563 10 30 BDEERO CCOC(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587414 170242650 /nfs/dbraw/zinc/24/26/50/170242650.db2.gz CVXQEFHQFTWCKN-NSHDSACASA-N 1 0 246.310 1.804 10 30 BDEERO CCOC(=O)Nc1ccc(C)cc1C#CC[NH3+] ZINC000037552816 170243978 /nfs/dbraw/zinc/24/39/78/170243978.db2.gz UEUFXSXYMDPBDN-UHFFFAOYSA-N 1 0 232.283 1.874 10 30 BDEERO CCO[C@H]1CCC[N@@H+]([C@@H](CC)C/C(N)=N/O)C1 ZINC000042422589 170505067 /nfs/dbraw/zinc/50/50/67/170505067.db2.gz VXVMNULYACLAES-QWRGUYRKSA-N 1 0 243.351 1.402 10 30 BDEERO CC[C@@H](CC#N)Sc1nc(N)cc(N)[nH+]1 ZINC000041023616 170811664 /nfs/dbraw/zinc/81/16/64/170811664.db2.gz HXMQDSCSMFTJMN-LURJTMIESA-N 1 0 223.305 1.425 10 30 BDEERO CC[C@@H]([NH3+])C(=O)N(C)c1ccc(C#N)cc1 ZINC000061980650 170861410 /nfs/dbraw/zinc/86/14/10/170861410.db2.gz OGGUJFHEJWKIQZ-LLVKDONJSA-N 1 0 217.272 1.258 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCC#N)CC(C)C ZINC000037822624 171394107 /nfs/dbraw/zinc/39/41/07/171394107.db2.gz RFFQNNGFJNKFAD-RYUDHWBXSA-N 1 0 239.363 1.758 10 30 BDEERO CC[C@H]([NH3+])[C@H](n1cnc(C#N)n1)C(C)(C)C ZINC000061841879 171489755 /nfs/dbraw/zinc/48/97/55/171489755.db2.gz OGQNHZLTGSTABB-WPRPVWTQSA-N 1 0 221.308 1.474 10 30 BDEERO C=CCOCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000662664312 412263946 /nfs/dbraw/zinc/26/39/46/412263946.db2.gz RCUUXSOXRSEWLR-LLVKDONJSA-N 1 0 228.336 1.069 10 30 BDEERO C=CCN(C(=O)C[C@@H]([NH3+])C(C)C)[C@@H](C)COC ZINC000662855182 412325933 /nfs/dbraw/zinc/32/59/33/412325933.db2.gz RBYQWNQDTACDIQ-NWDGAFQWSA-N 1 0 242.363 1.409 10 30 BDEERO C=CCC1(NC(=O)[C@@H](C)[NH2+]C)CCCC1 ZINC000662889472 412337689 /nfs/dbraw/zinc/33/76/89/412337689.db2.gz WTWMQFXXLMUDHD-SNVBAGLBSA-N 1 0 210.321 1.599 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000662954033 412353809 /nfs/dbraw/zinc/35/38/09/412353809.db2.gz SOCJARSGGLWHMC-GHMZBOCLSA-N 1 0 224.348 1.703 10 30 BDEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CC1 ZINC000049586831 172874226 /nfs/dbraw/zinc/87/42/26/172874226.db2.gz CNCGVGFJNSOCCJ-UHFFFAOYSA-N 1 0 242.322 1.365 10 30 BDEERO C[N@@H+]1CCCN([C@@H]2CCC[C@@H]2C#N)CC1 ZINC000037146662 173017672 /nfs/dbraw/zinc/01/76/72/173017672.db2.gz HHWUJBYNDXEPSC-VXGBXAGGSA-N 1 0 207.321 1.316 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000071190192 173112161 /nfs/dbraw/zinc/11/21/61/173112161.db2.gz WXTSLZZFFHUGRE-CYBMUJFWSA-N 1 0 229.327 1.946 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ncccc2C#N)C1 ZINC000042375244 173125066 /nfs/dbraw/zinc/12/50/66/173125066.db2.gz PGCJYEOKGLJKKT-SNVBAGLBSA-N 1 0 202.261 1.069 10 30 BDEERO C[NH2+]C(C)(C)C(=O)Nc1cccc(F)c1C#N ZINC000061300530 173318894 /nfs/dbraw/zinc/31/88/94/173318894.db2.gz NJYMMYAJGOFZIS-UHFFFAOYSA-N 1 0 235.262 1.634 10 30 BDEERO C[NH2+]CCNc1ccc(C#N)cc1Cl ZINC000062791397 173356847 /nfs/dbraw/zinc/35/68/47/173356847.db2.gz XJIPHCUUBWBQMP-UHFFFAOYSA-N 1 0 209.680 1.843 10 30 BDEERO C[NH2+]CCOc1cccc(Cl)c1C#N ZINC000052908513 173357638 /nfs/dbraw/zinc/35/76/38/173357638.db2.gz JMAAWEKLHNIEQZ-UHFFFAOYSA-N 1 0 210.664 1.810 10 30 BDEERO C[NH2+]Cc1nc(-c2ccc(C#N)cc2)c[nH]1 ZINC000036877300 173397560 /nfs/dbraw/zinc/39/75/60/173397560.db2.gz VHPMOGMENBLGGJ-UHFFFAOYSA-N 1 0 212.256 1.668 10 30 BDEERO C[C@@H]1CCC[C@@](CNCC#N)([NH+](C)C)C1 ZINC000040669719 176134159 /nfs/dbraw/zinc/13/41/59/176134159.db2.gz WOZMQFZBFIONRP-VXGBXAGGSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(C#N)cc2)O1 ZINC000036986380 176329199 /nfs/dbraw/zinc/32/91/99/176329199.db2.gz OSUKNIZYVKSGHG-SKDRFNHKSA-N 1 0 202.257 1.608 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]2Cc3ccc(C#N)cc3N21 ZINC000028464173 176330366 /nfs/dbraw/zinc/33/03/66/176330366.db2.gz AAELFMMXNFMCCW-BXKDBHETSA-N 1 0 213.284 1.281 10 30 BDEERO C[C@H](CC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000336727797 176628344 /nfs/dbraw/zinc/62/83/44/176628344.db2.gz WJYYTNLLWCIOIJ-SECBINFHSA-N 1 0 230.315 1.591 10 30 BDEERO C[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC000038086687 177032897 /nfs/dbraw/zinc/03/28/97/177032897.db2.gz ZKWRJBRTBAQSRG-LLVKDONJSA-N 1 0 215.300 1.524 10 30 BDEERO C[C@H]1CCCC[C@]1(C#N)N1CCC[NH2+]CC1 ZINC000037940397 177090047 /nfs/dbraw/zinc/09/00/47/177090047.db2.gz VHDDDDMYOWAOSZ-QWHCGFSZSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@H]1CCC[C@](CNCC#N)([NH+](C)C)C1 ZINC000040669725 177143406 /nfs/dbraw/zinc/14/34/06/177143406.db2.gz WOZMQFZBFIONRP-RYUDHWBXSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1CN(Cc2cccc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251793835 177263571 /nfs/dbraw/zinc/26/35/71/177263571.db2.gz NPBCGKOUIMRBDY-SWLSCSKDSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H]1CN(Cc2ccccc2C#CC[NH3+])CCO1 ZINC000049608490 177266084 /nfs/dbraw/zinc/26/60/84/177266084.db2.gz KRYSPWDAELHVAD-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@H]1C[C@H](C)C[NH+](CCC/C(N)=N/O)C1 ZINC000019423931 177358611 /nfs/dbraw/zinc/35/86/11/177358611.db2.gz JANWEQOGCZETPL-UWVGGRQHSA-N 1 0 213.325 1.491 10 30 BDEERO Cc1cc(NC2CCC([NH3+])CC2)cc(C#N)n1 ZINC000308237017 229421374 /nfs/dbraw/zinc/42/13/74/229421374.db2.gz DLOOURIYBHIDDW-UHFFFAOYSA-N 1 0 230.315 1.944 10 30 BDEERO N#CCCOCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398802910 262770135 /nfs/dbraw/zinc/77/01/35/262770135.db2.gz RVJMZNVZSKHEIC-RWMBFGLXSA-N 1 0 238.331 1.009 10 30 BDEERO CCC(C#N)(CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000110250212 323115268 /nfs/dbraw/zinc/11/52/68/323115268.db2.gz RKEIDWAHHKDGFU-NSHDSACASA-N 1 0 237.347 1.479 10 30 BDEERO C=CCSCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308544442 323175412 /nfs/dbraw/zinc/17/54/12/323175412.db2.gz NQAXKEXVNHDSHN-JTQLQIEISA-N 1 0 217.378 1.902 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000395232367 323222413 /nfs/dbraw/zinc/22/24/13/323222413.db2.gz PLIKYTALUYWZLU-CMPLNLGQSA-N 1 0 222.332 1.552 10 30 BDEERO CC1CC(C#N)(C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000122370912 324041786 /nfs/dbraw/zinc/04/17/86/324041786.db2.gz ZVVTYBPKQKLFST-AKJDGMEZSA-N 1 0 235.331 1.089 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C#N)n1 ZINC000311001248 325114533 /nfs/dbraw/zinc/11/45/33/325114533.db2.gz IJLQRXUDWQGZJC-WDEREUQCSA-N 1 0 243.314 1.021 10 30 BDEERO C=CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000131268460 325132685 /nfs/dbraw/zinc/13/26/85/325132685.db2.gz NDOAQQDKQWUETN-LLVKDONJSA-N 1 0 222.332 1.553 10 30 BDEERO C=C(C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156869888 326245722 /nfs/dbraw/zinc/24/57/22/326245722.db2.gz VEGXFJBSYMIDQR-GFCCVEGCSA-N 1 0 241.379 1.838 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378696395 488101065 /nfs/dbraw/zinc/10/10/65/488101065.db2.gz LFRHTOIHIJEOBR-IJLUTSLNSA-N 1 0 213.321 1.471 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000382574650 487546620 /nfs/dbraw/zinc/54/66/20/487546620.db2.gz BQPPZDWHHOLHPY-RYUDHWBXSA-N 1 0 222.332 1.683 10 30 BDEERO COCC#CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000677820419 487517989 /nfs/dbraw/zinc/51/79/89/487517989.db2.gz MRVMIFSBMVKRNA-KGLIPLIRSA-N 1 0 237.343 1.263 10 30 BDEERO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308245249 533903131 /nfs/dbraw/zinc/90/31/31/533903131.db2.gz QSVQCMLQXKYIDF-GHMZBOCLSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)cc(C#N)n1 ZINC000308245135 533914227 /nfs/dbraw/zinc/91/42/27/533914227.db2.gz QRYNPJWZMIJMHG-GHMZBOCLSA-N 1 0 230.315 1.448 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc(F)cc1C#N ZINC000336671690 518177083 /nfs/dbraw/zinc/17/70/83/518177083.db2.gz GDEPXJOTERIMFR-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO C=CCCOCC[NH2+]Cc1cnn(C)c1C ZINC000120808354 534776850 /nfs/dbraw/zinc/77/68/50/534776850.db2.gz MMZUOCUIWCCVRV-UHFFFAOYSA-N 1 0 223.320 1.411 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000286218338 534859841 /nfs/dbraw/zinc/85/98/41/534859841.db2.gz SFPWTUMFEJWLHL-MNOVXSKESA-N 1 0 228.311 1.407 10 30 BDEERO C=CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113575473 534861008 /nfs/dbraw/zinc/86/10/08/534861008.db2.gz CUMHAUSPKWRCQN-GHMZBOCLSA-N 1 0 223.320 1.051 10 30 BDEERO C=CCOCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000339020314 534879380 /nfs/dbraw/zinc/87/93/80/534879380.db2.gz GMWFIUMJIIHIJF-KBPBESRZSA-N 1 0 239.359 1.816 10 30 BDEERO C#C[C@H]([NH2+]C[C@H](O)COCCCC)C(C)C ZINC000300905908 527409765 /nfs/dbraw/zinc/40/97/65/527409765.db2.gz LKJZHEAEUVLUCT-STQMWFEESA-N 1 0 227.348 1.411 10 30 BDEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[C@H]1C ZINC000261830643 535260825 /nfs/dbraw/zinc/26/08/25/535260825.db2.gz VKFCJCMKAZIHNY-NXEZZACHSA-N 1 0 209.337 1.750 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[C@@H]1C ZINC000262806755 535263570 /nfs/dbraw/zinc/26/35/70/535263570.db2.gz NPCZACOESZWVMN-SDDRHHMPSA-N 1 0 239.363 1.519 10 30 BDEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1C[C@H]1C ZINC000263272639 535265693 /nfs/dbraw/zinc/26/56/93/535265693.db2.gz XGPWUXMUWWIIRU-GMTAPVOTSA-N 1 0 211.353 1.994 10 30 BDEERO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000259958477 536334288 /nfs/dbraw/zinc/33/42/88/536334288.db2.gz SGGNGOWRTXDNHF-NWDGAFQWSA-N 1 0 235.331 1.137 10 30 BDEERO C=C(Cl)CN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000105912856 588229365 /nfs/dbraw/zinc/22/93/65/588229365.db2.gz VPYWRBDSCQXZJF-NEPJUHHUSA-N 1 0 246.782 1.516 10 30 BDEERO C#CCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000123705671 589769435 /nfs/dbraw/zinc/76/94/35/589769435.db2.gz PZHTUMGKVWXVQA-UHFFFAOYSA-N 1 0 211.696 1.495 10 30 BDEERO C#CCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000223566456 592536858 /nfs/dbraw/zinc/53/68/58/592536858.db2.gz MJOHISXTOLHZCN-UONOGXRCSA-N 1 0 220.360 1.958 10 30 BDEERO C#CCCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000179467948 632716787 /nfs/dbraw/zinc/71/67/87/632716787.db2.gz FGFFYFFVYLHUSV-LLVKDONJSA-N 1 0 210.321 1.246 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236499683 632952453 /nfs/dbraw/zinc/95/24/53/632952453.db2.gz NKJGGHMVOGOLCQ-RYUDHWBXSA-N 1 0 210.321 1.821 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1c(C#N)nnc2ccccc21 ZINC000311224150 633085775 /nfs/dbraw/zinc/08/57/75/633085775.db2.gz WDRDZCVRYFXLQT-SECBINFHSA-N 1 0 241.298 1.285 10 30 BDEERO CCN(c1ncccc1C#N)[C@H]1CC[NH2+]C1 ZINC000070901239 643080727 /nfs/dbraw/zinc/08/07/27/643080727.db2.gz SCUDNDWSRIRMEZ-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO CC(=O)[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000083854525 644411111 /nfs/dbraw/zinc/41/11/11/644411111.db2.gz FWBORTOUNTXUFH-LBPRGKRZSA-N 1 0 220.316 1.981 10 30 BDEERO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000717785326 711620518 /nfs/dbraw/zinc/62/05/18/711620518.db2.gz CFMZKTPAYAGNSJ-UMSGYPCISA-N 1 0 207.317 1.539 10 30 BDEERO Cc1nc(NC[C@H]2C[C@@H]([NH3+])C2)ccc1C#N ZINC000715140590 712511775 /nfs/dbraw/zinc/51/17/75/712511775.db2.gz HIZWTMXJTKZLAE-JGZJWPJOSA-N 1 0 216.288 1.411 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1cccnc1C#N ZINC000723823171 710732730 /nfs/dbraw/zinc/73/27/30/710732730.db2.gz RLYXAOROGOTPLX-ZJUUUORDSA-N 1 0 216.288 1.221 10 30 BDEERO N#Cc1ccc(N2CC[C@H](CC[NH3+])C2)nc1 ZINC000723683664 711534172 /nfs/dbraw/zinc/53/41/72/711534172.db2.gz SQKMFPBOFBBLLK-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1ccnc(NCCCCCC[NH3+])c1 ZINC000700564044 711995848 /nfs/dbraw/zinc/99/58/48/711995848.db2.gz QECOOTLVNBYBPH-UHFFFAOYSA-N 1 0 218.304 1.884 10 30 BDEERO C#CCC[NH2+]Cc1cn(C)nc1Br ZINC000712401732 712429353 /nfs/dbraw/zinc/42/93/53/712429353.db2.gz QHXBMVNYWZWTBY-UHFFFAOYSA-N 1 0 242.120 1.296 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CC1 ZINC000715028423 712504731 /nfs/dbraw/zinc/50/47/31/712504731.db2.gz ZPOLXYOKWZDXCV-CMPLNLGQSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1ccc(C#N)c(NCC2CC([NH3+])C2)n1 ZINC000715114434 712509924 /nfs/dbraw/zinc/50/99/24/712509924.db2.gz RNKNPOSQFIQAEU-UHFFFAOYSA-N 1 0 216.288 1.411 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000715113491 712509961 /nfs/dbraw/zinc/50/99/61/712509961.db2.gz GMQUYPKPSCKYOA-AOOOYVTPSA-N 1 0 202.261 1.102 10 30 BDEERO N#Cc1ccc(NCC2CC([NH3+])C2)cn1 ZINC000715113691 712509983 /nfs/dbraw/zinc/50/99/83/712509983.db2.gz IQBDNDRHFMHTHG-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO C=C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000715368521 712521789 /nfs/dbraw/zinc/52/17/89/712521789.db2.gz IQSASEZQEQAMIH-UKRRQHHQSA-N 1 0 248.370 1.945 10 30 BDEERO C[C@H](C#N)OCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000379895264 712621352 /nfs/dbraw/zinc/62/13/52/712621352.db2.gz GRMCWGRWCVJRJP-VWYCJHECSA-N 1 0 212.293 1.072 10 30 BDEERO C#CC[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000717785364 712676212 /nfs/dbraw/zinc/67/62/12/712676212.db2.gz CZGBPCNQBQHZQB-BPCQOVAHSA-N 1 0 209.333 1.787 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cc2F)C[C@H]1[NH3+] ZINC000720818257 712868255 /nfs/dbraw/zinc/86/82/55/712868255.db2.gz OERKWXIMLGVWNG-GFCCVEGCSA-N 1 0 233.290 1.871 10 30 BDEERO CC(C)(C)OC(=O)C#CC[C@@H]([NH3+])C1CC1 ZINC000685953630 538898106 /nfs/dbraw/zinc/89/81/06/538898106.db2.gz NSNVRWCSOIRAHV-SNVBAGLBSA-N 1 0 209.289 1.459 10 30 BDEERO CC[C@@H]1CC[C@@H](C#CC(=O)OC(C)(C)C)[NH2+]1 ZINC000685952794 538897062 /nfs/dbraw/zinc/89/70/62/538897062.db2.gz DCITZMFTIGPWQH-MNOVXSKESA-N 1 0 223.316 1.862 10 30 BDEERO Cc1cc(CC[NH3+])cc(C)c1OCC#N ZINC000037720270 177962240 /nfs/dbraw/zinc/96/22/40/177962240.db2.gz YCGWYGXPGRZZQJ-UHFFFAOYSA-N 1 0 204.273 1.707 10 30 BDEERO CCC(CC)=NOC[C@@H](O)C[NH2+]C(C)C ZINC000029342397 168332571 /nfs/dbraw/zinc/33/25/71/168332571.db2.gz LXBQQIRFTWJLCZ-NSHDSACASA-N 1 0 216.325 1.538 10 30 BDEERO C=CCOCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000379486584 398149198 /nfs/dbraw/zinc/14/91/98/398149198.db2.gz JHBSDKWCHBHEGY-SNVBAGLBSA-N 1 0 201.310 1.186 10 30 BDEERO CCC#C[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000390615799 488170067 /nfs/dbraw/zinc/17/00/67/488170067.db2.gz GVAIMHPOTIWBTI-MNOVXSKESA-N 1 0 222.332 1.435 10 30 BDEERO Cc1cc(NC(=O)NC(C)C)ccc1C#CC[NH3+] ZINC000037552800 178137478 /nfs/dbraw/zinc/13/74/78/178137478.db2.gz IDEBUBRMAHRRBV-UHFFFAOYSA-N 1 0 245.326 1.835 10 30 BDEERO CN1CC[NH2+]C[C@H]1c1cccc(C#N)c1 ZINC000616637767 398214038 /nfs/dbraw/zinc/21/40/38/398214038.db2.gz QHAUSGBWUPRTHW-LBPRGKRZSA-N 1 0 201.273 1.134 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000310323441 136220578 /nfs/dbraw/zinc/22/05/78/136220578.db2.gz ZMWOHVNIKOYKLY-FZMZJTMJSA-N 1 0 233.359 1.895 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000119293437 136221903 /nfs/dbraw/zinc/22/19/03/136221903.db2.gz UTFNDEHQKIREKQ-CYBMUJFWSA-N 1 0 217.316 1.852 10 30 BDEERO Cc1ccc(C#N)c(NC(C)(C)C[NH3+])n1 ZINC000063020778 178363064 /nfs/dbraw/zinc/36/30/64/178363064.db2.gz YFKLOLVDJBPJTC-UHFFFAOYSA-N 1 0 204.277 1.411 10 30 BDEERO Cc1ccc(C#N)c(OC[C@@H]2CC[NH2+]C2)n1 ZINC000051888644 178365720 /nfs/dbraw/zinc/36/57/20/178365720.db2.gz QJUBXUWBNTWLEJ-SNVBAGLBSA-N 1 0 217.272 1.250 10 30 BDEERO N#Cc1cccnc1O[C@H]1CC[C@H]([NH3+])CC1 ZINC000299891787 342691212 /nfs/dbraw/zinc/69/12/12/342691212.db2.gz CZMXMRQHXNJAEN-XYPYZODXSA-N 1 0 217.272 1.602 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000320465745 342733999 /nfs/dbraw/zinc/73/39/99/342733999.db2.gz FFOZLDFBGDWOTI-WPRPVWTQSA-N 1 0 218.304 1.799 10 30 BDEERO C[NH2+]C[C@@H]1CCN(c2cc(C)ncc2C#N)C1 ZINC000399080648 398282848 /nfs/dbraw/zinc/28/28/48/398282848.db2.gz RQNHEMFOWOEFPW-NSHDSACASA-N 1 0 230.315 1.307 10 30 BDEERO C[C@@H]([NH2+]CC(=O)NCC#N)c1cccs1 ZINC000035737075 342891440 /nfs/dbraw/zinc/89/14/40/342891440.db2.gz DBMMTLWQVGWNBK-MRVPVSSYSA-N 1 0 223.301 1.038 10 30 BDEERO C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000339086763 136271166 /nfs/dbraw/zinc/27/11/66/136271166.db2.gz WVDLQJJPXYKUJT-MNOVXSKESA-N 1 0 212.293 1.074 10 30 BDEERO C=CCOC(=O)C([N+]#N)c1ccccc1 ZINC000238077007 343240328 /nfs/dbraw/zinc/24/03/28/343240328.db2.gz IDDLYAOSYSYEJM-UHFFFAOYSA-N 1 0 202.213 1.435 10 30 BDEERO CNC(=[NH2+])N(C)CCOCc1ccccc1 ZINC000060299509 343389089 /nfs/dbraw/zinc/38/90/89/343389089.db2.gz FSGUGIFSADVNMU-UHFFFAOYSA-N 1 0 221.304 1.080 10 30 BDEERO C#CC[NH2+]CCN1CCc2ccccc21 ZINC000053344393 166186631 /nfs/dbraw/zinc/18/66/31/166186631.db2.gz GWGMHPNYMQFNCL-UHFFFAOYSA-N 1 0 200.285 1.272 10 30 BDEERO CCOC(=O)CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054828586 136373036 /nfs/dbraw/zinc/37/30/36/136373036.db2.gz LFJPIMONFLKVTC-VHSXEESVSA-N 1 0 210.277 1.221 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1ncc2ccccc21 ZINC000053536775 166188033 /nfs/dbraw/zinc/18/80/33/166188033.db2.gz PPPQDKGHWINRFD-LLVKDONJSA-N 1 0 213.284 1.820 10 30 BDEERO CC(C)[NH2+]CCCNc1cccnc1C#N ZINC000584103426 343591167 /nfs/dbraw/zinc/59/11/67/343591167.db2.gz CZYMXFLBZOQJRM-UHFFFAOYSA-N 1 0 218.304 1.753 10 30 BDEERO C=CCN(CC=C)c1cc(N)[nH+]c(C)n1 ZINC000409428502 343803793 /nfs/dbraw/zinc/80/37/93/343803793.db2.gz GLUBKUHBZIJKNX-UHFFFAOYSA-N 1 0 204.277 1.546 10 30 BDEERO C#CCn1cc(CC[NH3+])c(-c2ccccc2)n1 ZINC000409440052 343854023 /nfs/dbraw/zinc/85/40/23/343854023.db2.gz RJZOGRBKHJLEPA-UHFFFAOYSA-N 1 0 225.295 1.685 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2cccc(F)c2)C1 ZINC000409437674 343848519 /nfs/dbraw/zinc/84/85/19/343848519.db2.gz ATWHMRQDYSUXEA-GFCCVEGCSA-N 1 0 219.263 1.294 10 30 BDEERO C#CCn1cc(C(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409438186 343849696 /nfs/dbraw/zinc/84/96/96/343849696.db2.gz KMKNIHVNYUKBRR-UHFFFAOYSA-N 1 0 230.296 1.529 10 30 BDEERO C#CCn1nc(-c2ccsc2)cc1C[NH3+] ZINC000409443695 343862373 /nfs/dbraw/zinc/86/23/73/343862373.db2.gz RSZRGSMICINSMH-UHFFFAOYSA-N 1 0 217.297 1.704 10 30 BDEERO CC[C@](C)([NH3+])C#Cc1csc(OC)n1 ZINC000306684316 343865953 /nfs/dbraw/zinc/86/59/53/343865953.db2.gz ZNYKEBXNUCJVQZ-JTQLQIEISA-N 1 0 210.302 1.631 10 30 BDEERO C=CC[C@@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000306818715 343888039 /nfs/dbraw/zinc/88/80/39/343888039.db2.gz FPMQYKCMWJJMMZ-JTQLQIEISA-N 1 0 244.335 1.038 10 30 BDEERO CC(C)(C)NC(=[NH+]N)[C@H]1CCCS1 ZINC000070005308 343946378 /nfs/dbraw/zinc/94/63/78/343946378.db2.gz MWOFFTVWZNYIKZ-SSDOTTSWSA-N 1 0 201.339 1.542 10 30 BDEERO C#C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000307485107 343933817 /nfs/dbraw/zinc/93/38/17/343933817.db2.gz BONFYSFFGKUMLT-ZDUSSCGKSA-N 1 0 201.269 1.257 10 30 BDEERO C=C(C)C(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616574203 344186771 /nfs/dbraw/zinc/18/67/71/344186771.db2.gz YEWQDWXUUCDYFS-SNVBAGLBSA-N 1 0 218.300 1.899 10 30 BDEERO COC1CC([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000234739831 344237834 /nfs/dbraw/zinc/23/78/34/344237834.db2.gz RXJBHUNCNHPGLD-XKGSQUFQSA-N 1 0 208.305 1.836 10 30 BDEERO CCN(CC[NH3+])c1cccc(F)c1C#N ZINC000165945077 344245514 /nfs/dbraw/zinc/24/55/14/344245514.db2.gz HSQPVAMPACWRAX-UHFFFAOYSA-N 1 0 207.252 1.482 10 30 BDEERO COC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054825683 344472298 /nfs/dbraw/zinc/47/22/98/344472298.db2.gz RDKYAIVWMSCEKL-VHSXEESVSA-N 1 0 210.277 1.221 10 30 BDEERO N#CCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152389787 344534676 /nfs/dbraw/zinc/53/46/76/344534676.db2.gz JUEQIPWYLOCCSP-ZDUSSCGKSA-N 1 0 231.299 1.838 10 30 BDEERO C#CC[C@H]([NH3+])c1snnc1C(C)(C)C ZINC000158308578 344585463 /nfs/dbraw/zinc/58/54/63/344585463.db2.gz KJJASQXGDJLVKC-ZETCQYMHSA-N 1 0 209.318 1.859 10 30 BDEERO CC1([NH3+])CCN(c2ccc(C#N)cc2)CC1 ZINC000221055535 344669477 /nfs/dbraw/zinc/66/94/77/344669477.db2.gz DJFZHAMJIKBAIG-UHFFFAOYSA-N 1 0 215.300 1.876 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cnccc1C#N ZINC000135614402 344805285 /nfs/dbraw/zinc/80/52/85/344805285.db2.gz XPWMVSZCZSSUGM-ZDUSSCGKSA-N 1 0 244.342 1.874 10 30 BDEERO C#C[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000166514292 344918241 /nfs/dbraw/zinc/91/82/41/344918241.db2.gz LGBGZTTYJCUAJM-SECBINFHSA-N 1 0 212.293 1.122 10 30 BDEERO C#CC[C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235470192 344919002 /nfs/dbraw/zinc/91/90/02/344919002.db2.gz OAVYOQZOGHUVER-GHMZBOCLSA-N 1 0 240.347 1.901 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@H]1C[NH2+]CCCO1 ZINC000390213456 259382636 /nfs/dbraw/zinc/38/26/36/259382636.db2.gz LVLSZADSJHUOMO-GFCCVEGCSA-N 1 0 249.289 1.488 10 30 BDEERO C[NH+](C)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000260501555 345146567 /nfs/dbraw/zinc/14/65/67/345146567.db2.gz TVPXUGBYYCLDSV-GRYCIOLGSA-N 1 0 207.321 1.315 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000226827167 345243590 /nfs/dbraw/zinc/24/35/90/345243590.db2.gz BCACKXZXWNWWNV-KXNHARMFSA-N 1 0 207.317 1.978 10 30 BDEERO C#CC[N@@H+](C)Cc1ccc(Cl)c(N)c1 ZINC000130279218 345271566 /nfs/dbraw/zinc/27/15/66/345271566.db2.gz PQNKDAAAFOJHGU-UHFFFAOYSA-N 1 0 208.692 1.987 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000082575397 345440919 /nfs/dbraw/zinc/44/09/19/345440919.db2.gz RVCFOLFSEGPXAH-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO C=C(C)[C@@H]1CN2C=CC(C)(C)[NH+]=C2N1OC ZINC000056871328 290755864 /nfs/dbraw/zinc/75/58/64/290755864.db2.gz RCNXAKUMTKVCLL-JTQLQIEISA-N 1 0 221.304 1.244 10 30 biogenic,in-vitro BDEERO CCc1nnc(N[C@H](C)[C@H](C)[NH3+])c(C#N)c1CC ZINC000381770677 346194114 /nfs/dbraw/zinc/19/41/14/346194114.db2.gz PVTHZIKOERRODK-DTWKUNHWSA-N 1 0 247.346 1.621 10 30 BDEERO CCN1CCO[C@H](CNc2ccnc(C#N)c2)C1 ZINC000158931877 346271388 /nfs/dbraw/zinc/27/13/88/346271388.db2.gz GMAIKQAPWGAZIV-CYBMUJFWSA-N 1 0 246.314 1.086 10 30 BDEERO C[C@H](CS)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251090726 362837117 /nfs/dbraw/zinc/83/71/17/362837117.db2.gz KDCQNNHCFZLYHJ-QWRGUYRKSA-N 1 0 214.378 1.332 10 30 BDEERO C#CC[NH2+]Cc1cccc(OC)c1OC ZINC000019875650 187381263 /nfs/dbraw/zinc/38/12/63/187381263.db2.gz BXSBVCAXUPYPSH-UHFFFAOYSA-N 1 0 205.257 1.427 10 30 BDEERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(CC#N)CC#N ZINC000043034082 179327568 /nfs/dbraw/zinc/32/75/68/179327568.db2.gz VKDGTECCGMLWDA-GXTWGEPZSA-N 1 0 242.326 1.732 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000594692955 348100229 /nfs/dbraw/zinc/10/02/29/348100229.db2.gz GGXPCTJNYNKRFQ-UHFFFAOYSA-N 1 0 248.286 1.640 10 30 BDEERO Cc1nc(NCC2([NH3+])CCCC2)ccc1C#N ZINC000594694199 348101302 /nfs/dbraw/zinc/10/13/02/348101302.db2.gz FJPCRDVSCDXHHZ-UHFFFAOYSA-N 1 0 230.315 1.367 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000082627550 348189128 /nfs/dbraw/zinc/18/91/28/348189128.db2.gz ICFJPNXNGWHMAG-DTWKUNHWSA-N 1 0 236.237 1.847 10 30 BDEERO C=CCCSCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000595257762 348204663 /nfs/dbraw/zinc/20/46/63/348204663.db2.gz WIBSLSHXLPACAC-GHMZBOCLSA-N 1 0 242.388 1.267 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1cc(C#N)ccn1 ZINC000596030381 348425984 /nfs/dbraw/zinc/42/59/84/348425984.db2.gz WMNKWWHIMSYDOD-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc(C)cc(C)c1C#N ZINC000596031096 348426618 /nfs/dbraw/zinc/42/66/18/348426618.db2.gz UPMGQADSSUZHFZ-SNVBAGLBSA-N 1 0 218.304 1.590 10 30 BDEERO C[C@@H]([NH3+])c1ccccc1N(CC#N)CC#N ZINC000019872249 187417865 /nfs/dbraw/zinc/41/78/65/187417865.db2.gz CPGISNIFIWPXRT-SNVBAGLBSA-N 1 0 214.272 1.560 10 30 BDEERO N#Cc1cc(C[NH3+])cc(OC(F)(F)F)c1 ZINC000616575661 349093047 /nfs/dbraw/zinc/09/30/47/349093047.db2.gz GIHZGXUTTBCCQU-UHFFFAOYSA-N 1 0 216.162 1.916 10 30 BDEERO CCc1ccc(C#C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000616581095 349261981 /nfs/dbraw/zinc/26/19/81/349261981.db2.gz DUBZARFSVDNMGK-ZIAGYGMSSA-N 1 0 215.296 1.181 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262804660 535124562 /nfs/dbraw/zinc/12/45/62/535124562.db2.gz NBKHWPOZQHYVRY-SNVBAGLBSA-N 1 0 225.336 1.116 10 30 BDEERO Cc1nn(C)c(NCC[N@@H+](C)C(C)C)c1C#N ZINC000104428289 180358119 /nfs/dbraw/zinc/35/81/19/180358119.db2.gz CDDUOFBDDBZPFV-UHFFFAOYSA-N 1 0 235.335 1.352 10 30 BDEERO Cc1nn(C)c(N[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC000104442218 180360878 /nfs/dbraw/zinc/36/08/78/180360878.db2.gz VOIDJBZZPDMROU-SNVBAGLBSA-N 1 0 233.319 1.106 10 30 BDEERO N#Cc1cccc([C@@H]2CCOCCN2CC[NH3+])c1 ZINC000616596953 350638176 /nfs/dbraw/zinc/63/81/76/350638176.db2.gz AVPGGRZIQSCAFO-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccc([C@@H]2CCOCCN2CC[NH3+])cc1 ZINC000616596964 350638473 /nfs/dbraw/zinc/63/84/73/350638473.db2.gz BFWFDWBUPKMKRZ-AWEZNQCLSA-N 1 0 245.326 1.280 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000236138559 350730443 /nfs/dbraw/zinc/73/04/43/350730443.db2.gz DEWIQZJQCJABLE-VHSXEESVSA-N 1 0 232.274 1.940 10 30 BDEERO N#Cc1ccc([C@@H]2CC[N@@H+](CCO)C2)cc1 ZINC000616614323 350832053 /nfs/dbraw/zinc/83/20/53/350832053.db2.gz HPAWQBGZXSRUGX-CYBMUJFWSA-N 1 0 216.284 1.340 10 30 BDEERO N#Cc1ncccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382475696 350839544 /nfs/dbraw/zinc/83/95/44/350839544.db2.gz SPPNGDXWUARYLS-ZJUUUORDSA-N 1 0 216.288 1.493 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228599486 350827155 /nfs/dbraw/zinc/82/71/55/350827155.db2.gz HNKSCHOOJOSVKM-LPEHRKFASA-N 1 0 245.164 1.435 10 30 BDEERO C=C(CS)C[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000231633374 350991071 /nfs/dbraw/zinc/99/10/71/350991071.db2.gz WVKIGHQJOJTXDM-QWRGUYRKSA-N 1 0 214.378 1.497 10 30 BDEERO C=C(CS)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000231633452 350991184 /nfs/dbraw/zinc/99/11/84/350991184.db2.gz MPIRDIGPLDCQDE-ZJUUUORDSA-N 1 0 201.335 1.175 10 30 BDEERO CCCCCCCCOCC[C@@H]([NH2+]C)C(N)=O ZINC000103782838 168653871 /nfs/dbraw/zinc/65/38/71/168653871.db2.gz KHVISSRWOAMICO-GFCCVEGCSA-N 1 0 244.379 1.827 10 30 BDEERO C[N@@H+]1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616658025 351200082 /nfs/dbraw/zinc/20/00/82/351200082.db2.gz HVMKGWBMROCQSB-GFCCVEGCSA-N 1 0 216.284 1.604 10 30 BDEERO N#Cc1cccc([C@H]2CCOCC[NH2+]2)c1 ZINC000616659772 351207802 /nfs/dbraw/zinc/20/78/02/351207802.db2.gz PGMNEGOIBYORFH-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO CCN(C[C@@H](C)C#N)C[C@@H]1CCC[N@@H+]1C ZINC000386652490 363024547 /nfs/dbraw/zinc/02/45/47/363024547.db2.gz BWYACLFTDSXBRG-RYUDHWBXSA-N 1 0 209.337 1.562 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cnc(C#N)cn1 ZINC000133615710 351399761 /nfs/dbraw/zinc/39/97/61/351399761.db2.gz BXWBTAKGJCUQKC-LLVKDONJSA-N 1 0 233.319 1.158 10 30 BDEERO C[N@@H+]1CCC[C@H]1CN1CCC(C)(C#N)CC1 ZINC000386696203 363028825 /nfs/dbraw/zinc/02/88/25/363028825.db2.gz LQWBAPHFVKUOKE-LBPRGKRZSA-N 1 0 221.348 1.706 10 30 BDEERO CC[C@H]1CN(c2nc(C)cc(C#N)n2)CC[C@@H]1[NH3+] ZINC000231943855 351476652 /nfs/dbraw/zinc/47/66/52/351476652.db2.gz FNLPRISRHRTWJW-JQWIXIFHSA-N 1 0 245.330 1.220 10 30 BDEERO C#CCCNc1cc(N)[nH+]cc1Br ZINC000307219336 351619011 /nfs/dbraw/zinc/61/90/11/351619011.db2.gz HBVDXAZDUNISAK-UHFFFAOYSA-N 1 0 240.104 1.862 10 30 BDEERO O=C[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000307254210 351788073 /nfs/dbraw/zinc/78/80/73/351788073.db2.gz XDFPEGKODXKZFY-SECBINFHSA-N 1 0 217.259 1.943 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000638472357 352285122 /nfs/dbraw/zinc/28/51/22/352285122.db2.gz QVAZOVUPIKWPMP-PNESKVBLSA-N 1 0 236.359 1.929 10 30 BDEERO Cn1nccc1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000230779439 352362945 /nfs/dbraw/zinc/36/29/45/352362945.db2.gz OQOYJJHEBXXOCE-PWSUYJOCSA-N 1 0 218.304 1.244 10 30 BDEERO C#CC[C@@H]([NH3+])c1nscc1Br ZINC000404798191 352470003 /nfs/dbraw/zinc/47/00/03/352470003.db2.gz IYVNSSSXOALVOW-ZCFIWIBFSA-N 1 0 231.118 1.929 10 30 BDEERO Cn1cc[nH+]c1NCc1cccc(C#N)c1 ZINC000050605987 180752832 /nfs/dbraw/zinc/75/28/32/180752832.db2.gz PLFADYXXXLLEHJ-UHFFFAOYSA-N 1 0 212.256 1.904 10 30 BDEERO C=C(C)[C@H]([NH3+])c1ncncc1Br ZINC000307645568 352737857 /nfs/dbraw/zinc/73/78/57/352737857.db2.gz ZHDYSHCTZKVQEO-ZETCQYMHSA-N 1 0 228.093 1.815 10 30 BDEERO Cc1ccnc(NC[C@@H](C)C[NH3+])c1C#N ZINC000420215207 192177305 /nfs/dbraw/zinc/17/73/05/192177305.db2.gz KBHYBOHRPDHCLN-QMMMGPOBSA-N 1 0 204.277 1.268 10 30 BDEERO C=CCCC(C)(C)CNC(=O)[C@@H](C)[NH2+]C ZINC000638867074 353041114 /nfs/dbraw/zinc/04/11/14/353041114.db2.gz ZLDSQEFUJONAAV-SNVBAGLBSA-N 1 0 212.337 1.703 10 30 BDEERO N#Cc1cccc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383464905 353158286 /nfs/dbraw/zinc/15/82/86/353158286.db2.gz KQAWAMKRQYIMEY-QMMMGPOBSA-N 1 0 226.230 1.348 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336754551 353145441 /nfs/dbraw/zinc/14/54/41/353145441.db2.gz IHHNXDKMKAFHGP-USZNOCQGSA-N 1 0 208.305 1.836 10 30 BDEERO CC(C)C[C@H]([NH3+])C(=O)Nc1ccccc1C#N ZINC000011961655 188104766 /nfs/dbraw/zinc/10/47/66/188104766.db2.gz RSLAVMNJPWVTPR-NSHDSACASA-N 1 0 231.299 1.870 10 30 BDEERO C=C(Br)Cn1cc(C[NH2+]CC)cn1 ZINC000073711521 188114862 /nfs/dbraw/zinc/11/48/62/188114862.db2.gz VQADYMDHZVNJLR-UHFFFAOYSA-N 1 0 244.136 1.901 10 30 BDEERO CC(C)[N@H+](CC/C(N)=N/O)Cc1ccccn1 ZINC000042529100 188120306 /nfs/dbraw/zinc/12/03/06/188120306.db2.gz VIOOTBYZQMQKDO-UHFFFAOYSA-N 1 0 236.319 1.429 10 30 BDEERO CC(C)C[C@@H](CO)[NH2+]Cc1cccnc1C#N ZINC000061658021 188128397 /nfs/dbraw/zinc/12/83/97/188128397.db2.gz OFMOOBKYLYARMM-LBPRGKRZSA-N 1 0 233.315 1.450 10 30 BDEERO CC(C)[N@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266728 188130530 /nfs/dbraw/zinc/13/05/30/188130530.db2.gz WQVUJOQSJNLESR-UHFFFAOYSA-N 1 0 239.294 1.760 10 30 BDEERO C#Cc1cccc(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000061984465 188183431 /nfs/dbraw/zinc/18/34/31/188183431.db2.gz JRLBNCTUYAQQJF-ZDUSSCGKSA-N 1 0 200.285 1.784 10 30 BDEERO N#Cc1cnccc1[C@H]1CC[NH2+]C[C@H]1F ZINC000098091645 188190889 /nfs/dbraw/zinc/19/08/89/188190889.db2.gz LOHFWBVSRHAFSN-GHMZBOCLSA-N 1 0 205.236 1.368 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042579225 188216500 /nfs/dbraw/zinc/21/65/00/188216500.db2.gz ANQCVWZCLTVUTB-RWMBFGLXSA-N 1 0 236.359 1.683 10 30 BDEERO C#CCSCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000163240445 353347773 /nfs/dbraw/zinc/34/77/73/353347773.db2.gz BUVBUBCUQBAXAU-LLVKDONJSA-N 1 0 242.388 1.199 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000134541673 353494770 /nfs/dbraw/zinc/49/47/70/353494770.db2.gz HUJCCSKYPRDWHN-TZMCWYRMSA-N 1 0 215.296 1.805 10 30 BDEERO C=CCNC(=O)[C@@H](C)OCC[C@H]1CCC[NH2+]C1 ZINC000051917374 166384081 /nfs/dbraw/zinc/38/40/81/166384081.db2.gz GHGNCMLHCBIJQA-VXGBXAGGSA-N 1 0 240.347 1.083 10 30 BDEERO C[C@@H](Nc1ccncc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000399061809 353761585 /nfs/dbraw/zinc/76/15/85/353761585.db2.gz ZCGQLXLUVNRHPS-GHMZBOCLSA-N 1 0 230.315 1.175 10 30 BDEERO N#CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000082638988 181042029 /nfs/dbraw/zinc/04/20/29/181042029.db2.gz RLAXJQCESFKMLB-LBPRGKRZSA-N 1 0 201.273 1.068 10 30 BDEERO N#CCOc1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738694 181043643 /nfs/dbraw/zinc/04/36/43/181043643.db2.gz JBPGMKZIBPMUDS-LBPRGKRZSA-N 1 0 246.310 1.715 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000054826379 181058382 /nfs/dbraw/zinc/05/83/82/181058382.db2.gz WMQZDMIOHJLZNU-NWDGAFQWSA-N 1 0 218.304 1.555 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)CCC[NH3+] ZINC000036158346 181074472 /nfs/dbraw/zinc/07/44/72/181074472.db2.gz SLRNCXAXRNSRJM-UHFFFAOYSA-N 1 0 221.235 1.375 10 30 BDEERO N#C[C@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000054826393 181067713 /nfs/dbraw/zinc/06/77/13/181067713.db2.gz FKAKIDWNNNNBFB-CHWSQXEVSA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000061890436 181069227 /nfs/dbraw/zinc/06/92/27/181069227.db2.gz PPIQEYGBFPYPSX-NEPJUHHUSA-N 1 0 235.331 1.185 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[N@H+]1CCCC[C@@H]1CO ZINC000042432240 181069280 /nfs/dbraw/zinc/06/92/80/181069280.db2.gz WRIQAKQYCNJMTP-JHJVBQTASA-N 1 0 222.332 1.916 10 30 BDEERO N#Cc1cc(N)cnc1NCC[NH+]1CCCC1 ZINC000054112175 181089428 /nfs/dbraw/zinc/08/94/28/181089428.db2.gz USVFQVKBWUZXQC-UHFFFAOYSA-N 1 0 231.303 1.043 10 30 BDEERO C=CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113229937 354297433 /nfs/dbraw/zinc/29/74/33/354297433.db2.gz BVJAOCJZYDAZGT-NWDGAFQWSA-N 1 0 222.332 1.648 10 30 BDEERO N#Cc1ccc(C[N@H+]2CCC[C@H](C=O)C2)cc1 ZINC000054217859 181103788 /nfs/dbraw/zinc/10/37/88/181103788.db2.gz FCGDBHCNVULVNV-AWEZNQCLSA-N 1 0 228.295 1.969 10 30 BDEERO N#Cc1ccc(COC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000051816411 181110832 /nfs/dbraw/zinc/11/08/32/181110832.db2.gz NZZJHLCVBHQEAL-LBPRGKRZSA-N 1 0 234.274 1.966 10 30 BDEERO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000038094097 181113302 /nfs/dbraw/zinc/11/33/02/181113302.db2.gz AGNYRQOJVRKZAE-NSHDSACASA-N 1 0 234.274 1.823 10 30 BDEERO N#Cc1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000051360507 181115289 /nfs/dbraw/zinc/11/52/89/181115289.db2.gz YVKRYDWQKUIYGL-STQMWFEESA-N 1 0 242.326 1.674 10 30 BDEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011754546 181118205 /nfs/dbraw/zinc/11/82/05/181118205.db2.gz NOKGYCHGXQQITG-NSHDSACASA-N 1 0 215.256 1.249 10 30 BDEERO N#Cc1ccc(N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000062791384 181126456 /nfs/dbraw/zinc/12/64/56/181126456.db2.gz LMLNIGAMCZVKSD-VIFPVBQESA-N 1 0 221.691 1.985 10 30 BDEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)nc1 ZINC000051866225 181128742 /nfs/dbraw/zinc/12/87/42/181128742.db2.gz VEVGYHIRWDVFOJ-SNVBAGLBSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000051866335 181129020 /nfs/dbraw/zinc/12/90/20/181129020.db2.gz MRKFHAFXAFNMHT-SNVBAGLBSA-N 1 0 220.247 1.828 10 30 BDEERO N#Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062112355 181140984 /nfs/dbraw/zinc/14/09/84/181140984.db2.gz VAAJBNICOXNAOX-SNVBAGLBSA-N 1 0 215.256 1.106 10 30 BDEERO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038051075 181152742 /nfs/dbraw/zinc/15/27/42/181152742.db2.gz ZKPAXABDKRGSBW-GHMZBOCLSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1cccnc1SC[C@H]1CC[NH2+]C1 ZINC000095072073 181154140 /nfs/dbraw/zinc/15/41/40/181154140.db2.gz CSSFMUFZGQNMQN-VIFPVBQESA-N 1 0 219.313 1.655 10 30 BDEERO N#Cc1cccnc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038051074 181154354 /nfs/dbraw/zinc/15/43/54/181154354.db2.gz ZKPAXABDKRGSBW-QWRGUYRKSA-N 1 0 216.288 1.635 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000134242145 355003554 /nfs/dbraw/zinc/00/35/54/355003554.db2.gz GBZSLFHWTLGGQI-LDYMZIIASA-N 1 0 222.313 1.887 10 30 BDEERO N#Cc1ncccc1C[NH2+]C1CCCC1 ZINC000061656798 181170738 /nfs/dbraw/zinc/17/07/38/181170738.db2.gz YWNZLKZCZGXGCI-UHFFFAOYSA-N 1 0 201.273 1.985 10 30 BDEERO N#CCC1(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000088259520 356644656 /nfs/dbraw/zinc/64/46/56/356644656.db2.gz UYHHMEPHVNNAQZ-ZDUSSCGKSA-N 1 0 249.358 1.087 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2ccncc2C#N)C1 ZINC000399428451 356699152 /nfs/dbraw/zinc/69/91/52/356699152.db2.gz HJNLHAQRSHEGEV-GFCCVEGCSA-N 1 0 230.315 1.271 10 30 BDEERO C#CCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000192041191 357814513 /nfs/dbraw/zinc/81/45/13/357814513.db2.gz VAZYXEQPUORZND-UHFFFAOYSA-N 1 0 248.370 1.877 10 30 BDEERO C=CCCCN(C)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC000119511433 134226969 /nfs/dbraw/zinc/22/69/69/134226969.db2.gz VZRGASFUZGADTP-CYBMUJFWSA-N 1 0 224.348 1.801 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)NCCCCC#N)C1 ZINC000171448500 134258593 /nfs/dbraw/zinc/25/85/93/134258593.db2.gz WPPFGVNGTHZUGA-NSHDSACASA-N 1 0 238.335 1.026 10 30 BDEERO C=CCOC(=O)C([N+]#N)c1cccc([N+](=O)[O-])c1 ZINC000584591502 358249750 /nfs/dbraw/zinc/24/97/50/358249750.db2.gz NJIBHGGCEVAHQS-UHFFFAOYSA-N 1 0 247.210 1.343 10 30 BDEERO N#C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1O ZINC000584636428 358321127 /nfs/dbraw/zinc/32/11/27/358321127.db2.gz DMDSRHXRNOWSTL-ZIAGYGMSSA-N 1 0 230.311 1.435 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130697680 358639330 /nfs/dbraw/zinc/63/93/30/358639330.db2.gz WMHLSVOPOSZCDM-JTQLQIEISA-N 1 0 248.286 1.862 10 30 BDEERO COC[C@H](C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000130219460 358960110 /nfs/dbraw/zinc/96/01/10/358960110.db2.gz WGVPGKSMXYPSJK-JTQLQIEISA-N 1 0 234.299 1.691 10 30 BDEERO C=C(CS)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000299967020 358958654 /nfs/dbraw/zinc/95/86/54/358958654.db2.gz UYNVYMOHRYJLIU-NSHDSACASA-N 1 0 212.362 1.252 10 30 BDEERO C=CCC[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247567436 359235458 /nfs/dbraw/zinc/23/54/58/359235458.db2.gz SCNDFLYSXSZWQD-RDBSUJKOSA-N 1 0 238.375 1.482 10 30 BDEERO C[C@@H](C[NH3+])Oc1cc(Cl)ccc1C#N ZINC000306261455 359482201 /nfs/dbraw/zinc/48/22/01/359482201.db2.gz WFBJOQPCYCIIPK-ZETCQYMHSA-N 1 0 210.664 1.938 10 30 BDEERO CC[C@H]([NH3+])CC(=O)C#Cc1ccccc1 ZINC000306295805 359534731 /nfs/dbraw/zinc/53/47/31/359534731.db2.gz BRMRTTMVVXULPG-LBPRGKRZSA-N 1 0 201.269 1.735 10 30 BDEERO CC(C)([NH3+])CC(=O)C#Cc1ccccc1 ZINC000306327356 359609811 /nfs/dbraw/zinc/60/98/11/359609811.db2.gz XNHKBOTUKLJLBX-UHFFFAOYSA-N 1 0 201.269 1.735 10 30 BDEERO C=C[C@H]([NH3+])c1cnn(C)c1Br ZINC000306472418 360100470 /nfs/dbraw/zinc/10/04/70/360100470.db2.gz SVIAGCLAIRBFQW-LURJTMIESA-N 1 0 216.082 1.368 10 30 BDEERO C=C(Cl)CN1CC[N@@H+](C)CC[C@@H]1C ZINC000306478491 360126267 /nfs/dbraw/zinc/12/62/67/360126267.db2.gz HLACPUDXUXCDIB-JTQLQIEISA-N 1 0 202.729 1.765 10 30 BDEERO NC(=[NH2+])Nc1nnc(C2CCCCC2)s1 ZINC000028007932 181323784 /nfs/dbraw/zinc/32/37/84/181323784.db2.gz IPXRXQQQJZDGQB-UHFFFAOYSA-N 1 0 225.321 1.491 10 30 BDEERO N#Cc1cnc(C[NH3+])c(OC(F)(F)F)c1 ZINC000238596266 361161419 /nfs/dbraw/zinc/16/14/19/361161419.db2.gz YGLBTYDQRYHQRO-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1cnc(C[NH3+])cc1OC(F)(F)F ZINC000238674614 361176344 /nfs/dbraw/zinc/17/63/44/361176344.db2.gz RAZJIRBTWXSQPT-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO [NH3+]CC#Cc1ccc(F)c(C(=O)NC2CCC2)c1 ZINC000052214087 181346105 /nfs/dbraw/zinc/34/61/05/181346105.db2.gz BDPJQVSELOPBOP-UHFFFAOYSA-N 1 0 246.285 1.418 10 30 BDEERO [NH3+]CC#Cc1ccc(CSc2nc[nH]n2)cc1 ZINC000049611299 181346122 /nfs/dbraw/zinc/34/61/22/181346122.db2.gz CTGLQSVLLBPOKB-UHFFFAOYSA-N 1 0 244.323 1.407 10 30 BDEERO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037165055 361710295 /nfs/dbraw/zinc/71/02/95/361710295.db2.gz OEXGZCBONPQIRM-KBPBESRZSA-N 1 0 230.311 1.951 10 30 BDEERO N#CCC1(C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000123322040 363853301 /nfs/dbraw/zinc/85/33/01/363853301.db2.gz FMLRIRRVQCRIKT-LLVKDONJSA-N 1 0 208.305 1.385 10 30 BDEERO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250614078 364020995 /nfs/dbraw/zinc/02/09/95/364020995.db2.gz NLZWPHZKWSJXOY-ZSBIGDGJSA-N 1 0 247.342 1.137 10 30 BDEERO C=CCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630362445 364082183 /nfs/dbraw/zinc/08/21/83/364082183.db2.gz MXIAREWGRRMLMS-NWDGAFQWSA-N 1 0 212.337 1.391 10 30 BDEERO C=CCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630362446 364082581 /nfs/dbraw/zinc/08/25/81/364082581.db2.gz MXIAREWGRRMLMS-RYUDHWBXSA-N 1 0 212.337 1.391 10 30 BDEERO N#Cc1cccc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000581419591 367461958 /nfs/dbraw/zinc/46/19/58/367461958.db2.gz CUPXQLIOFCNUFZ-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO C=C1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000382585590 367545518 /nfs/dbraw/zinc/54/55/18/367545518.db2.gz SKJOIDVUDZRTMX-CYBMUJFWSA-N 1 0 222.332 1.697 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000382593969 367546406 /nfs/dbraw/zinc/54/64/06/367546406.db2.gz IYZOUDVCVWXHJE-MNOVXSKESA-N 1 0 208.305 1.292 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000253154742 368571771 /nfs/dbraw/zinc/57/17/71/368571771.db2.gz BCACKXZXWNWWNV-QCNOEVLYSA-N 1 0 207.317 1.978 10 30 BDEERO CC(=O)N1CCC[C@@H]1C#CC[NH+]1CCCC1 ZINC000003777968 368882724 /nfs/dbraw/zinc/88/27/24/368882724.db2.gz JNDOCQKNQCJTBA-ZDUSSCGKSA-N 1 0 220.316 1.097 10 30 BDEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)nc1 ZINC000600958235 369577637 /nfs/dbraw/zinc/57/76/37/369577637.db2.gz DHISCKDOASETST-GFCCVEGCSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1nnc(N[C@@H]2CC[NH2+][C@H]2C)c(C#N)c1C ZINC000600956392 369578420 /nfs/dbraw/zinc/57/84/20/369578420.db2.gz BSSBBLBYJRYBNK-GXSJLCMTSA-N 1 0 231.303 1.127 10 30 BDEERO N#Cc1cccc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000600958970 369578510 /nfs/dbraw/zinc/57/85/10/369578510.db2.gz NXUFOGBBZGLCOH-LLVKDONJSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000600960344 369579040 /nfs/dbraw/zinc/57/90/40/369579040.db2.gz DGVRXOTUMLOOPE-GXSJLCMTSA-N 1 0 233.290 1.728 10 30 BDEERO N#Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ccn1 ZINC000600963485 369580443 /nfs/dbraw/zinc/58/04/43/369580443.db2.gz VSWXDCBUGISLMU-XYPYZODXSA-N 1 0 230.315 1.305 10 30 BDEERO Cc1nc(N2C[C@@H]([NH3+])C[C@H]2C)ccc1C#N ZINC000600963056 369580452 /nfs/dbraw/zinc/58/04/52/369580452.db2.gz QSASGEJWOIMQHA-KCJUWKMLSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1F ZINC000600962824 369581456 /nfs/dbraw/zinc/58/14/56/369581456.db2.gz NHXIPSBBAUQMDT-SCZZXKLOSA-N 1 0 219.263 1.623 10 30 BDEERO C[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251712708 369909140 /nfs/dbraw/zinc/90/91/40/369909140.db2.gz JMSOOXUQWVBYCK-BXUZGUMPSA-N 1 0 244.342 1.335 10 30 BDEERO Cc1cc(N2CCC[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000308240691 370114780 /nfs/dbraw/zinc/11/47/80/370114780.db2.gz OCAUNZJLLKRUKI-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000132958480 371958886 /nfs/dbraw/zinc/95/88/86/371958886.db2.gz MDUNPADYFOILAH-GXFFZTMASA-N 1 0 231.299 1.111 10 30 BDEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(F)cc2C#N)CCO1 ZINC000132969174 371960665 /nfs/dbraw/zinc/96/06/65/371960665.db2.gz DUYZBMPFBDHFNS-TVQRCGJNSA-N 1 0 249.289 1.250 10 30 BDEERO CC#CC[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228104466 371991572 /nfs/dbraw/zinc/99/15/72/371991572.db2.gz SIANRPBAHDWANW-KXUCPTDWSA-N 1 0 215.387 1.964 10 30 BDEERO C[C@](C#N)(CCC[NH3+])NCc1ccccc1 ZINC000307760043 372145648 /nfs/dbraw/zinc/14/56/48/372145648.db2.gz UPXYRJXHJSNDHN-CYBMUJFWSA-N 1 0 217.316 1.797 10 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CCCO[C@H]1CCC[N@H+](CCC/C(N)=N/O)C1 ZINC000042422558 169312110 /nfs/dbraw/zinc/31/21/10/169312110.db2.gz VHAFYUPIQXHBFT-NSHDSACASA-N 1 0 243.351 1.404 10 30 BDEERO CCC[C@@H](C#N)N1CC[NH+](CC2CC2)CC1 ZINC000104151335 169343420 /nfs/dbraw/zinc/34/34/20/169343420.db2.gz KCXJEEMMHPRVAG-ZDUSSCGKSA-N 1 0 221.348 1.706 10 30 BDEERO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185519125 134381592 /nfs/dbraw/zinc/38/15/92/134381592.db2.gz BPZWQLRSRBGXPJ-QWHCGFSZSA-N 1 0 236.359 1.895 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334745248 383947251 /nfs/dbraw/zinc/94/72/51/383947251.db2.gz DOPMWEQQMKDATC-FZMZJTMJSA-N 1 0 230.311 1.761 10 30 BDEERO C=CCCCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643709251 384151718 /nfs/dbraw/zinc/15/17/18/384151718.db2.gz UQLHWNUPKQGYIL-CYBMUJFWSA-N 1 0 240.347 1.180 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000394620233 384235492 /nfs/dbraw/zinc/23/54/92/384235492.db2.gz PSGLJWWJHTWCFW-NXEZZACHSA-N 1 0 240.310 1.676 10 30 BDEERO Cc1nnc(N[C@@H](C)CCCC[NH3+])c(C#N)c1C ZINC000336788972 384275481 /nfs/dbraw/zinc/27/54/81/384275481.db2.gz IASSQQNXQGCNDS-VIFPVBQESA-N 1 0 247.346 1.895 10 30 BDEERO CC1CC(C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000530762914 385047330 /nfs/dbraw/zinc/04/73/30/385047330.db2.gz ARLIAKJJDGDYEA-UHFFFAOYSA-N 1 0 235.331 1.137 10 30 BDEERO Cc1cc(NCCC[NH+](C)C)c(C#N)c(C)n1 ZINC000157378328 385153932 /nfs/dbraw/zinc/15/39/32/385153932.db2.gz MBIMXVXDSVQKDE-UHFFFAOYSA-N 1 0 232.331 1.934 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000177462231 385245306 /nfs/dbraw/zinc/24/53/06/385245306.db2.gz AFIKQRVWQHLVAE-SNVBAGLBSA-N 1 0 249.339 1.396 10 30 BDEERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)cc(C#N)n1 ZINC000308237680 385411206 /nfs/dbraw/zinc/41/12/06/385411206.db2.gz GCIVNZOJPJZBLD-JTQLQIEISA-N 1 0 240.257 1.656 10 30 BDEERO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308245250 385413905 /nfs/dbraw/zinc/41/39/05/385413905.db2.gz QSVQCMLQXKYIDF-MNOVXSKESA-N 1 0 230.315 1.435 10 30 BDEERO N#Cc1ccc(-n2ncc3c2CC[NH2+]C3)cc1F ZINC000584598920 385466270 /nfs/dbraw/zinc/46/62/70/385466270.db2.gz WFMCPNXCZCPVLC-UHFFFAOYSA-N 1 0 242.257 1.529 10 30 BDEERO C[C@H]([NH2+]CCCSCC#N)[C@H]1CCCO1 ZINC000183092346 385508886 /nfs/dbraw/zinc/50/88/86/385508886.db2.gz WZBCYTGISJRMKF-WDEREUQCSA-N 1 0 228.361 1.790 10 30 BDEERO C[C@@H]1C[NH+](CC[C@H]2CO2)C[C@@H](C)S1 ZINC000307058398 385884180 /nfs/dbraw/zinc/88/41/80/385884180.db2.gz FXXWZDNWNPXQOX-BBBLOLIVSA-N 1 0 201.335 1.601 10 30 BDEERO CN/C(=[NH+]/C)N(C)[C@@H]1CCCSC1 ZINC000575533347 385889005 /nfs/dbraw/zinc/88/90/05/385889005.db2.gz BLICFQNLYIAVQS-MRVPVSSYSA-N 1 0 201.339 1.019 10 30 BDEERO C=CCC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180589795 386281563 /nfs/dbraw/zinc/28/15/63/386281563.db2.gz LCEKAGRPSTUCSE-STQMWFEESA-N 1 0 246.358 1.927 10 30 BDEERO C[C@@H]([NH3+])C1CCN(c2ccncc2C#N)CC1 ZINC000399053441 386657637 /nfs/dbraw/zinc/65/76/37/386657637.db2.gz WKKVHOWGTDPPQL-SNVBAGLBSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]([NH3+])C1CCN(c2ccncc2C#N)CC1 ZINC000399053439 386658397 /nfs/dbraw/zinc/65/83/97/386658397.db2.gz WKKVHOWGTDPPQL-JTQLQIEISA-N 1 0 230.315 1.517 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000336666689 386775134 /nfs/dbraw/zinc/77/51/34/386775134.db2.gz PYLOYGDGCAZLCU-MWLCHTKSSA-N 1 0 238.722 1.818 10 30 BDEERO C=C(Br)CN1C[C@@H]([NH3+])CC[C@H]1C ZINC000575481775 387178892 /nfs/dbraw/zinc/17/88/92/387178892.db2.gz PTZWVDGVAREJNT-BDAKNGLRSA-N 1 0 233.153 1.707 10 30 BDEERO C[C@@H]1C[C@](C#N)(NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000575495993 387315347 /nfs/dbraw/zinc/31/53/47/387315347.db2.gz CJYUMYDAUWZKQM-BXKDBHETSA-N 1 0 239.319 1.545 10 30 BDEERO CC(C)(CS)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000306274701 387455982 /nfs/dbraw/zinc/45/59/82/387455982.db2.gz ATTFXYWCRMRXLF-VIFPVBQESA-N 1 0 217.378 1.788 10 30 BDEERO C=CC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648080605 387514677 /nfs/dbraw/zinc/51/46/77/387514677.db2.gz GHJSJRSXSPITKN-QWHCGFSZSA-N 1 0 236.359 1.786 10 30 BDEERO 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C=CCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000249136356 388710270 /nfs/dbraw/zinc/71/02/70/388710270.db2.gz HMIWVVGFXHCCJG-NWDGAFQWSA-N 1 0 239.363 1.543 10 30 BDEERO Cc1ccnc(N2CCC[C@H](C)[C@@H]2C[NH3+])c1C#N ZINC000135202846 132239668 /nfs/dbraw/zinc/23/96/68/132239668.db2.gz WBWNSESANPOXQU-AAEUAGOBSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000235662254 132292565 /nfs/dbraw/zinc/29/25/65/132292565.db2.gz XQOXLAZRKIMAEQ-GXFFZTMASA-N 1 0 244.342 1.825 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cccc(C#N)n1 ZINC000251790024 132303705 /nfs/dbraw/zinc/30/37/05/132303705.db2.gz NJGFYZQOULRQLW-AAEUAGOBSA-N 1 0 242.326 1.626 10 30 BDEERO N#Cc1cc(N2CCC(C[NH3+])CC2)ccn1 ZINC000061812530 132387264 /nfs/dbraw/zinc/38/72/64/132387264.db2.gz UFUFCXGPOTXRTL-UHFFFAOYSA-N 1 0 216.288 1.128 10 30 BDEERO C[C@@H]1CCN(c2ccc(C#N)nc2)[C@@H](C[NH3+])C1 ZINC000235349567 132392296 /nfs/dbraw/zinc/39/22/96/132392296.db2.gz GFAIPFTZQUOYOP-ZWNOBZJWSA-N 1 0 230.315 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CFHHOBDNPXCBAS-QJPTWQEYSA-N 1 0 208.305 1.837 10 30 BDEERO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C2CC2)O1 ZINC000252739515 135105642 /nfs/dbraw/zinc/10/56/42/135105642.db2.gz HJOAEUIMRWWYJH-FDYHWXHSSA-N 1 0 220.316 1.978 10 30 BDEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000078784768 135151165 /nfs/dbraw/zinc/15/11/65/135151165.db2.gz SNOOCZRAJOZDKY-NXEZZACHSA-N 1 0 241.335 1.021 10 30 BDEERO CC[C@@H]([NH3+])CNc1nnc(C)c(C)c1C#N ZINC000087615608 135160289 /nfs/dbraw/zinc/16/02/89/135160289.db2.gz BGONSDYDDQYYJC-SECBINFHSA-N 1 0 219.292 1.114 10 30 BDEERO C[C@H]1CCN(c2ccnc(C#N)c2)[C@H](C[NH3+])C1 ZINC000261539920 135178776 /nfs/dbraw/zinc/17/87/76/135178776.db2.gz CKYNBQSUPQEHEI-GWCFXTLKSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CCN(c2ccc(C#N)cn2)[C@H](C[NH3+])C1 ZINC000261541893 135181664 /nfs/dbraw/zinc/18/16/64/135181664.db2.gz MBCCGICFERGWME-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nc(N2CCC(C[NH3+])CC2)ccc1C#N ZINC000261555863 135196085 /nfs/dbraw/zinc/19/60/85/135196085.db2.gz QDOPXVKKESXDMZ-UHFFFAOYSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261568842 135211578 /nfs/dbraw/zinc/21/15/78/135211578.db2.gz JMGTZAPIPMJVDE-GFCCVEGCSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1F ZINC000262477833 135302106 /nfs/dbraw/zinc/30/21/06/135302106.db2.gz CLPGNFMISWGZNF-SECBINFHSA-N 1 0 221.279 1.571 10 30 BDEERO [NH2+]=C(NCC1(C(F)F)CC1)N1CCSCC1 ZINC000262494209 135302421 /nfs/dbraw/zinc/30/24/21/135302421.db2.gz VXPDBHLNLIBMQE-UHFFFAOYSA-N 1 0 249.330 1.395 10 30 BDEERO [NH2+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCCCCC1 ZINC000262530426 135303873 /nfs/dbraw/zinc/30/38/73/135303873.db2.gz PKVJJKHWYPWRHJ-RYUDHWBXSA-N 1 0 239.363 1.338 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1 ZINC000262536031 135304473 /nfs/dbraw/zinc/30/44/73/135304473.db2.gz PUPOIIPURANVBN-QWRGUYRKSA-N 1 0 209.337 1.832 10 30 BDEERO CN1CC[NH+]=C1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262678565 135313196 /nfs/dbraw/zinc/31/31/96/135313196.db2.gz UXNAWTAOHMSBJR-VXGBXAGGSA-N 1 0 221.348 1.846 10 30 BDEERO C[C@@H]1C[C@@H](CNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000262684669 135313645 /nfs/dbraw/zinc/31/36/45/135313645.db2.gz XYUVFMMTBLZARZ-JGPRNRPPSA-N 1 0 225.336 1.081 10 30 BDEERO CN(C)C(=[NH+]C[C@H]1CC12CCOCC2)N(C)C ZINC000262772407 135317330 /nfs/dbraw/zinc/31/73/30/135317330.db2.gz HNTWXDYWRYTPJI-LLVKDONJSA-N 1 0 239.363 1.282 10 30 BDEERO CN1CC[NH+]=C1NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263038509 135328517 /nfs/dbraw/zinc/32/85/17/135328517.db2.gz CCIRQAOFJNWBBM-GRYCIOLGSA-N 1 0 219.332 1.480 10 30 BDEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])N1CCOCC1 ZINC000263086855 135331792 /nfs/dbraw/zinc/33/17/92/135331792.db2.gz ILQRFZJFXAYFIF-YPMHNXCESA-N 1 0 239.363 1.458 10 30 BDEERO [NH2+]=C(NC1CCC1)N[C@H]1COc2ccc(F)cc21 ZINC000263093709 135331879 /nfs/dbraw/zinc/33/18/79/135331879.db2.gz JBROYLWFPYPXGV-NSHDSACASA-N 1 0 249.289 1.716 10 30 BDEERO [NH2+]=C(NC[C@H]1CC12CC2)NCC1CCC1 ZINC000263097732 135332597 /nfs/dbraw/zinc/33/25/97/135332597.db2.gz JPKJJMXEQFYGAJ-SNVBAGLBSA-N 1 0 207.321 1.491 10 30 BDEERO C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC23CC3)C1 ZINC000263204843 135339177 /nfs/dbraw/zinc/33/91/77/135339177.db2.gz XYGUOTZSEKUKLS-WDEREUQCSA-N 1 0 221.348 1.833 10 30 BDEERO C=C(C)CN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000105914837 397786469 /nfs/dbraw/zinc/78/64/69/397786469.db2.gz CYXVJTWHPVZKTQ-AWEZNQCLSA-N 1 0 240.391 1.995 10 30 BDEERO C#CCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000271038824 166131701 /nfs/dbraw/zinc/13/17/01/166131701.db2.gz MPRSPZCSYIDPJO-CYBMUJFWSA-N 1 0 217.316 1.970 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000020364549 166182620 /nfs/dbraw/zinc/18/26/20/166182620.db2.gz MIASYAVIWFSMIP-MOENNCHZSA-N 1 0 222.332 1.293 10 30 BDEERO C#CC[NH2+]CCN1CCOc2ccccc2C1 ZINC000063013923 166187091 /nfs/dbraw/zinc/18/70/91/166187091.db2.gz HVKKSBOAYYXWTN-UHFFFAOYSA-N 1 0 230.311 1.104 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1ncc2ccccc21 ZINC000053536771 166188943 /nfs/dbraw/zinc/18/89/43/166188943.db2.gz PPPQDKGHWINRFD-NSHDSACASA-N 1 0 213.284 1.820 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000083345533 166206525 /nfs/dbraw/zinc/20/65/25/166206525.db2.gz QZFFYCYIOLIZFK-NSHDSACASA-N 1 0 208.305 1.034 10 30 BDEERO C(#Cc1ccccc1)CO[C@@H]1CCC[NH2+]C1 ZINC000051814626 166225231 /nfs/dbraw/zinc/22/52/31/166225231.db2.gz PXZMWBVBJTYNAS-CQSZACIVSA-N 1 0 215.296 1.807 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H](CC)C(C)(C)C ZINC000271994262 166370380 /nfs/dbraw/zinc/37/03/80/166370380.db2.gz GUFZDKVWPHWEFC-SNVBAGLBSA-N 1 0 212.337 1.703 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020316319 166382478 /nfs/dbraw/zinc/38/24/78/166382478.db2.gz ZZNSLOOTIGFETA-SNVBAGLBSA-N 1 0 236.290 1.606 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076618875 166384529 /nfs/dbraw/zinc/38/45/29/166384529.db2.gz LQBKJBMORHCXOK-NSHDSACASA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)[C@H](C)Oc1ccccc1CC[NH3+] ZINC000037720534 166388474 /nfs/dbraw/zinc/38/84/74/166388474.db2.gz KQOOXZRDHWQSMP-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCOC1CCCC1 ZINC000104447726 166389473 /nfs/dbraw/zinc/38/94/73/166389473.db2.gz SKRASFLJFNOXNU-NSHDSACASA-N 1 0 240.347 1.226 10 30 BDEERO C=CC[NH2+]CC[C@H](O)c1ccc(F)c(N)c1 ZINC000098124917 166398786 /nfs/dbraw/zinc/39/87/86/166398786.db2.gz VSFIDVCORIPZOO-LBPRGKRZSA-N 1 0 224.279 1.607 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000036962631 166398929 /nfs/dbraw/zinc/39/89/29/166398929.db2.gz MQILKJYDZKIYNF-UHFFFAOYSA-N 1 0 248.282 1.172 10 30 BDEERO C=CCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042873759 166423972 /nfs/dbraw/zinc/42/39/72/166423972.db2.gz SCAIDQCVEKYPCQ-UHFFFAOYSA-N 1 0 207.229 1.439 10 30 BDEERO CC(C)[NH2+]CCC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980663 167099784 /nfs/dbraw/zinc/09/97/84/167099784.db2.gz ANRPGOPYAHIETC-UHFFFAOYSA-N 1 0 245.326 1.909 10 30 BDEERO CC(C)[NH2+]CCC(=O)NCc1ccc(C#N)cc1 ZINC000037748609 167100960 /nfs/dbraw/zinc/10/09/60/167100960.db2.gz DUCCRZQBJFFRFY-UHFFFAOYSA-N 1 0 245.326 1.563 10 30 BDEERO C=CCN(CC=C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128880542 411272581 /nfs/dbraw/zinc/27/25/81/411272581.db2.gz YTZBKBSWYYEYNJ-NSHDSACASA-N 1 0 210.321 1.560 10 30 BDEERO CCC(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000037471184 168244772 /nfs/dbraw/zinc/24/47/72/168244772.db2.gz TZWADLFBVYTBSW-UHFFFAOYSA-N 1 0 202.257 1.345 10 30 BDEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659330713 411395471 /nfs/dbraw/zinc/39/54/71/411395471.db2.gz ZOQREKRJKBXNAO-XQQFMLRXSA-N 1 0 236.359 1.847 10 30 BDEERO CCNC(N[C@@H]1C[C@@H]2OCCC[C@H]12)=[NH+]CC ZINC000190087178 170042244 /nfs/dbraw/zinc/04/22/44/170042244.db2.gz JSUYREYSIHNPDB-MXWKQRLJSA-N 1 0 225.336 1.129 10 30 BDEERO CCNC(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049587396 170072141 /nfs/dbraw/zinc/07/21/41/170072141.db2.gz GLIPSSNLCVIHIB-UHFFFAOYSA-N 1 0 245.326 1.158 10 30 BDEERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000061227987 170122236 /nfs/dbraw/zinc/12/22/36/170122236.db2.gz AMJZKGYDYWPFCY-JTQLQIEISA-N 1 0 231.299 1.742 10 30 BDEERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000038065241 171347947 /nfs/dbraw/zinc/34/79/47/171347947.db2.gz AENBDDQLCDQFOC-CABZTGNLSA-N 1 0 231.299 1.473 10 30 BDEERO C=CCOCCCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000662665059 412263664 /nfs/dbraw/zinc/26/36/64/412263664.db2.gz ZTDFFZZYGARQEK-GHMZBOCLSA-N 1 0 228.336 1.069 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000662953772 412353812 /nfs/dbraw/zinc/35/38/12/412353812.db2.gz PXMGAIMCWDCEGC-WDEREUQCSA-N 1 0 224.348 1.975 10 30 BDEERO CCc1nccnc1C[N+](=O)C(C)(C)C ZINC000084652005 172030065 /nfs/dbraw/zinc/03/00/65/172030065.db2.gz YTODWFWUZZDJQX-ZSOIEALJSA-N 1 0 207.277 1.767 10 30 BDEERO CCc1nnc(NCCC[NH3+])c(C#N)c1CC ZINC000123755378 172059629 /nfs/dbraw/zinc/05/96/29/172059629.db2.gz ZJXWYYALIISVSY-UHFFFAOYSA-N 1 0 233.319 1.234 10 30 BDEERO CN(CC[NH+](C)C)c1cccc(C#N)c1 ZINC000061956998 172454727 /nfs/dbraw/zinc/45/47/27/172454727.db2.gz VYZSVNQKOJWINH-UHFFFAOYSA-N 1 0 203.289 1.556 10 30 BDEERO CN(C)c1ccc([C@@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019266084 172558932 /nfs/dbraw/zinc/55/89/32/172558932.db2.gz DPPVMTFDODPXHH-CQSZACIVSA-N 1 0 244.342 1.222 10 30 BDEERO C[N@@H+]1CCC[C@H](Oc2cccc(N)c2C#N)C1 ZINC000059042957 173046807 /nfs/dbraw/zinc/04/68/07/173046807.db2.gz OHXJXNWOOLGAIJ-JTQLQIEISA-N 1 0 231.299 1.613 10 30 BDEERO CNC1(C#N)CC[NH+](CCc2ccccc2)CC1 ZINC000037527517 173320913 /nfs/dbraw/zinc/32/09/13/173320913.db2.gz VHXQSZPSMRFOHW-UHFFFAOYSA-N 1 0 243.354 1.807 10 30 BDEERO C[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000036962618 173333695 /nfs/dbraw/zinc/33/36/95/173333695.db2.gz GYGURDYBLQOCPJ-UHFFFAOYSA-N 1 0 223.663 1.370 10 30 BDEERO C[NH2+]CC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000037018714 173334250 /nfs/dbraw/zinc/33/42/50/173334250.db2.gz IVBILWOPMDCSKI-UHFFFAOYSA-N 1 0 223.663 1.370 10 30 BDEERO C[NH2+]CCC(=O)Nc1cc(C#N)ccc1C ZINC000050430433 173341703 /nfs/dbraw/zinc/34/17/03/173341703.db2.gz UIHSNXVTCAOFFO-UHFFFAOYSA-N 1 0 217.272 1.415 10 30 BDEERO C[NH2+]CCCC(=O)NCc1cccc(C#N)c1 ZINC000037748698 173344239 /nfs/dbraw/zinc/34/42/39/173344239.db2.gz FTEQPTOWUFHDDL-UHFFFAOYSA-N 1 0 231.299 1.174 10 30 BDEERO CN[C@H](C#N)CC[NH+]1CCCCCCC1 ZINC000062368210 173441173 /nfs/dbraw/zinc/44/11/73/173441173.db2.gz FQTMTBJRGRNZAI-LBPRGKRZSA-N 1 0 209.337 1.754 10 30 BDEERO COc1cc([C@H](C)[NH3+])ccc1OCC#N ZINC000037698441 175015028 /nfs/dbraw/zinc/01/50/28/175015028.db2.gz VRYACOJUVSFFRD-QMMMGPOBSA-N 1 0 206.245 1.617 10 30 BDEERO COc1ccccc1C[N@H+](C)CC/C(N)=N/O ZINC000042441968 175325196 /nfs/dbraw/zinc/32/51/96/175325196.db2.gz UHQCOJPAPVHKCJ-UHFFFAOYSA-N 1 0 237.303 1.264 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C#N ZINC000310989065 175666091 /nfs/dbraw/zinc/66/60/91/175666091.db2.gz VEYDTLHUJSUACV-QMMMGPOBSA-N 1 0 249.274 1.401 10 30 BDEERO C[C@@H](NC(=O)CC[NH3+])c1ccc(C#N)cc1 ZINC000037508787 175830353 /nfs/dbraw/zinc/83/03/53/175830353.db2.gz GUCXKLDFOMAANR-SECBINFHSA-N 1 0 217.272 1.084 10 30 BDEERO C[C@@H]1CCC[N@H+](CC(=O)N(C)CCC#N)CC1 ZINC000063308647 176096792 /nfs/dbraw/zinc/09/67/92/176096792.db2.gz HZJHDIRFPZJKIE-GFCCVEGCSA-N 1 0 237.347 1.480 10 30 BDEERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H](C#N)NC2CC2)C1 ZINC000062368447 176362087 /nfs/dbraw/zinc/36/20/87/176362087.db2.gz KAVPYULEMVIWSP-BZPMIXESSA-N 1 0 235.375 1.999 10 30 BDEERO C[C@H](Oc1ccccc1/C=N\O)C1=[NH+]CCN1 ZINC000100557721 177024822 /nfs/dbraw/zinc/02/48/22/177024822.db2.gz JDVBCCBWSXJBJH-AVPSXBMNSA-N 1 0 233.271 1.264 10 30 BDEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184724945 177032669 /nfs/dbraw/zinc/03/26/69/177032669.db2.gz GSIDJEGNCNOUSR-LERXQTSPSA-N 1 0 246.310 1.047 10 30 BDEERO C=C(Br)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000122744699 487657092 /nfs/dbraw/zinc/65/70/92/487657092.db2.gz FERXZLDHWKTVPU-SNVBAGLBSA-N 1 0 245.164 1.675 10 30 BDEERO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)cc(C#N)n1 ZINC000308246445 229225031 /nfs/dbraw/zinc/22/50/31/229225031.db2.gz XAWZJCHKIHKSBQ-LLVKDONJSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000394459425 266943805 /nfs/dbraw/zinc/94/38/05/266943805.db2.gz KOZRLVCKPJBUBB-RKDXNWHRSA-N 1 0 230.315 1.590 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595482517 487866721 /nfs/dbraw/zinc/86/67/21/487866721.db2.gz PGASGESXTYIKJZ-LPEHRKFASA-N 1 0 230.258 1.692 10 30 BDEERO Cc1ccnc(N[C@@H](CC[NH3+])C(F)F)c1C#N ZINC000394762942 323108431 /nfs/dbraw/zinc/10/84/31/323108431.db2.gz ACIDCHHRYZSWIQ-VIFPVBQESA-N 1 0 240.257 1.656 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000395232370 323222355 /nfs/dbraw/zinc/22/23/55/323222355.db2.gz PLIKYTALUYWZLU-JQWIXIFHSA-N 1 0 222.332 1.552 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C#N)n1 ZINC000311001247 325113662 /nfs/dbraw/zinc/11/36/62/325113662.db2.gz IJLQRXUDWQGZJC-QWRGUYRKSA-N 1 0 243.314 1.021 10 30 BDEERO CC[NH2+]CCCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131295619 325134883 /nfs/dbraw/zinc/13/48/83/325134883.db2.gz QVQBIOAFXLFDPV-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000382575731 487546989 /nfs/dbraw/zinc/54/69/89/487546989.db2.gz DQWOEGUQSJBDIV-RYUDHWBXSA-N 1 0 222.332 1.540 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@H](CC)C1CCOCC1 ZINC000309527496 491150059 /nfs/dbraw/zinc/15/00/59/491150059.db2.gz CUYVSBYSVGEOLW-CHWSQXEVSA-N 1 0 227.348 1.718 10 30 BDEERO C=CCC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000309922879 491158292 /nfs/dbraw/zinc/15/82/92/491158292.db2.gz TWJUZCZMNHVZAA-CYBMUJFWSA-N 1 0 221.300 1.894 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252502357 536183844 /nfs/dbraw/zinc/18/38/44/536183844.db2.gz HLPNFMPGLBUWLR-YRGRVCCFSA-N 1 0 249.358 1.621 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000261545013 534448041 /nfs/dbraw/zinc/44/80/41/534448041.db2.gz JJVPESKSZGTCAS-UWVGGRQHSA-N 1 0 230.739 1.489 10 30 BDEERO CC[NH+](CC)Cc1cc(C#CCO)cs1 ZINC000043689783 582806318 /nfs/dbraw/zinc/80/63/18/582806318.db2.gz MZMOJOHLDAJVBT-UHFFFAOYSA-N 1 0 223.341 1.934 10 30 BDEERO CCCCCCC[NH2+]Cc1nncn1C ZINC000103337072 520060283 /nfs/dbraw/zinc/06/02/83/520060283.db2.gz MXSRASAGNZCNDC-UHFFFAOYSA-N 1 0 210.325 1.875 10 30 BDEERO C=CC[NH+]1CCC(c2nncn2CC)CC1 ZINC000105929829 534847273 /nfs/dbraw/zinc/84/72/73/534847273.db2.gz DDUAUZZNNMTOPN-UHFFFAOYSA-N 1 0 220.320 1.663 10 30 BDEERO C#C[C@H]([NH2+]C[C@@H](O)COCCCC)C(C)C ZINC000300905892 527410022 /nfs/dbraw/zinc/41/00/22/527410022.db2.gz LKJZHEAEUVLUCT-OLZOCXBDSA-N 1 0 227.348 1.411 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1nccnc1C#N ZINC000133571454 535066714 /nfs/dbraw/zinc/06/67/14/535066714.db2.gz DXRRYOHALFCIDR-SNVBAGLBSA-N 1 0 233.319 1.158 10 30 BDEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[C@@H]1C ZINC000262924209 535262710 /nfs/dbraw/zinc/26/27/10/535262710.db2.gz LFHDQNVVRJJBKP-XWLWVQCSSA-N 1 0 209.337 1.606 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[C@H]1C ZINC000262806753 535263148 /nfs/dbraw/zinc/26/31/48/535263148.db2.gz NPCZACOESZWVMN-GRYCIOLGSA-N 1 0 239.363 1.519 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCS1)N[C@@H]1C[C@H]1C ZINC000261968845 535263593 /nfs/dbraw/zinc/26/35/93/535263593.db2.gz MECIIRIFSAWZHZ-OUAUKWLOSA-N 1 0 241.404 1.846 10 30 BDEERO C=CCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000393742271 582921500 /nfs/dbraw/zinc/92/15/00/582921500.db2.gz CQDWGUKVEWVXMM-WCQYABFASA-N 1 0 224.348 1.799 10 30 BDEERO CCNC(NC[C@@H]1CCCC[C@@H]1O)=[NH+]CC ZINC000077966139 631223999 /nfs/dbraw/zinc/22/39/99/631223999.db2.gz IFNSEIJUHNXIHA-QWRGUYRKSA-N 1 0 227.352 1.113 10 30 BDEERO C=C(Cl)CN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247378284 632456714 /nfs/dbraw/zinc/45/67/14/632456714.db2.gz VPYWRBDSCQXZJF-RYUDHWBXSA-N 1 0 246.782 1.516 10 30 BDEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC[NH2+]1 ZINC000235387810 632690201 /nfs/dbraw/zinc/69/02/01/632690201.db2.gz OHGRTSGUHSZAQE-ZCFIWIBFSA-N 1 0 242.735 1.466 10 30 BDEERO N#Cc1sc(NCCC[NH3+])nc1Cl ZINC000236217339 632899050 /nfs/dbraw/zinc/89/90/50/632899050.db2.gz GFTRXTBGRQGNIB-UHFFFAOYSA-N 1 0 216.697 1.429 10 30 BDEERO N#Cc1cc(NC[C@H]2CC[C@@H]([NH3+])C2)ccn1 ZINC000309430282 633062018 /nfs/dbraw/zinc/06/20/18/633062018.db2.gz MHGPVTNCBBDWKT-VHSXEESVSA-N 1 0 216.288 1.493 10 30 BDEERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000336668247 635198995 /nfs/dbraw/zinc/19/89/95/635198995.db2.gz WQBJNMBFNOQWGU-JGVFFNPUSA-N 1 0 210.302 1.479 10 30 BDEERO C=C(Cl)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000307345732 636334744 /nfs/dbraw/zinc/33/47/44/636334744.db2.gz OCBOBMHDOVWVRS-UWVGGRQHSA-N 1 0 203.713 1.832 10 30 BDEERO C[C@H](C#N)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906429975 638168534 /nfs/dbraw/zinc/16/85/34/638168534.db2.gz QOJNFGXGQRQAAL-SNVBAGLBSA-N 1 0 223.320 1.279 10 30 BDEERO C=C(Cl)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000087415861 640887754 /nfs/dbraw/zinc/88/77/54/640887754.db2.gz DKJYBLYXTWAFOK-CBAPKCEASA-N 1 0 217.696 1.480 10 30 BDEERO CO[C@H](C)CNC(=[NH2+])NC1CCCCC1 ZINC000191226737 641907703 /nfs/dbraw/zinc/90/77/03/641907703.db2.gz ZOTVIWLIGJILMJ-SECBINFHSA-N 1 0 213.325 1.258 10 30 BDEERO CCN(c1ccnc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000070901130 643080677 /nfs/dbraw/zinc/08/06/77/643080677.db2.gz GNNSPWLSOXUCHG-GFCCVEGCSA-N 1 0 216.288 1.141 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1C[C@H](C)C[C@@H](C)C1 ZINC000073068285 643373281 /nfs/dbraw/zinc/37/32/81/643373281.db2.gz RWAPGUZPGCFZDO-WISYIIOYSA-N 1 0 223.364 1.948 10 30 BDEERO C#CC[NH2+]CC(=O)NC1CCC(CC)CC1 ZINC000086157105 643935042 /nfs/dbraw/zinc/93/50/42/643935042.db2.gz ZBNSIQLGPOMLRB-UHFFFAOYSA-N 1 0 222.332 1.294 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715073821 712506190 /nfs/dbraw/zinc/50/61/90/712506190.db2.gz WXRISSKZRFJNHC-JLIMDTESSA-N 1 0 219.263 1.847 10 30 BDEERO Cc1ccnc(N2C[C@@H]([NH3+])C(C)(C)C2)c1C#N ZINC000720761297 712864388 /nfs/dbraw/zinc/86/43/88/712864388.db2.gz ZHRLYKOPMJSYHO-LLVKDONJSA-N 1 0 230.315 1.435 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C#N)cc1 ZINC000721882779 710690538 /nfs/dbraw/zinc/69/05/38/710690538.db2.gz OQHWFAPWZMTUCQ-BXKDBHETSA-N 1 0 201.273 1.578 10 30 BDEERO Cc1ccc(C#N)c(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723826277 710733090 /nfs/dbraw/zinc/73/30/90/710733090.db2.gz JYJDCWPYNAPALQ-SKDRFNHKSA-N 1 0 230.315 1.529 10 30 BDEERO N#Cc1cccc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000723682771 711533994 /nfs/dbraw/zinc/53/39/94/711533994.db2.gz JUWRDDJHIICBCI-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO Cc1ccnc(NC[C@@H]2C[NH2+]C[C@H]2C)c1C#N ZINC000723825866 711537667 /nfs/dbraw/zinc/53/76/67/711537667.db2.gz GRXCXNFXPIPMQO-MNOVXSKESA-N 1 0 230.315 1.529 10 30 BDEERO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000310808835 711678178 /nfs/dbraw/zinc/67/81/78/711678178.db2.gz BAHGSSFXVVVAQT-AAEUAGOBSA-N 1 0 248.330 1.486 10 30 BDEERO CC1(O)CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000705522834 712133033 /nfs/dbraw/zinc/13/30/33/712133033.db2.gz AEWIBGASTTWNOJ-QCXCNERSSA-N 1 0 222.332 1.962 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206928 712285225 /nfs/dbraw/zinc/28/52/25/712285225.db2.gz HMBAIKSSDXZAQZ-NXEZZACHSA-N 1 0 236.340 1.537 10 30 BDEERO CN(c1cc(C#N)ncn1)C1(C[NH3+])CCCCC1 ZINC000713295775 712458121 /nfs/dbraw/zinc/45/81/21/712458121.db2.gz FDAUGSJGLSKZTN-UHFFFAOYSA-N 1 0 245.330 1.446 10 30 BDEERO CC(C)(CCC#N)C[NH2+]C1CC(C(N)=O)C1 ZINC000716759255 712572603 /nfs/dbraw/zinc/57/26/03/712572603.db2.gz GBUFKQVTZNEONU-UHFFFAOYSA-N 1 0 223.320 1.170 10 30 BDEERO CC1(C)CN(c2ncccc2C#N)C[C@H]1[NH3+] ZINC000720747002 712863365 /nfs/dbraw/zinc/86/33/65/712863365.db2.gz ISGINFVBTCPCMQ-SNVBAGLBSA-N 1 0 216.288 1.127 10 30 BDEERO C[NH2+]CCN(c1ccc(C#N)c(C)n1)C(C)C ZINC000720779818 712865459 /nfs/dbraw/zinc/86/54/59/712865459.db2.gz VYRODYQDDPDAQG-UHFFFAOYSA-N 1 0 232.331 1.696 10 30 BDEERO C=C(Br)C[N+]12CCN(CC1)CC2 ZINC000060511409 717132026 /nfs/dbraw/zinc/13/20/26/717132026.db2.gz FLKRRDSDROUUGA-UHFFFAOYSA-N 1 0 232.145 1.041 10 30 BDEERO CC(C)(C)OC(=O)C#CC[C@H]([NH3+])C1CC1 ZINC000685953629 538898093 /nfs/dbraw/zinc/89/80/93/538898093.db2.gz NSNVRWCSOIRAHV-JTQLQIEISA-N 1 0 209.289 1.459 10 30 BDEERO CC[C@@H](C)[C@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953423 538898215 /nfs/dbraw/zinc/89/82/15/538898215.db2.gz MKVHKXDMVNIYON-NXEZZACHSA-N 1 0 211.305 1.705 10 30 BDEERO CC[NH2+][C@H](C#CC(=O)OC(C)(C)C)C(C)C ZINC000685954096 538898410 /nfs/dbraw/zinc/89/84/10/538898410.db2.gz SDELBTGOEXFALL-LLVKDONJSA-N 1 0 225.332 1.966 10 30 BDEERO C#CCCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962037 538909081 /nfs/dbraw/zinc/90/90/81/538909081.db2.gz SEJFLBTZCJGOFQ-SWLSCSKDSA-N 1 0 245.322 1.902 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]([NH3+])C1CCC1 ZINC000685953012 538896988 /nfs/dbraw/zinc/89/69/88/538896988.db2.gz IQOMWXQKRCQSON-SNVBAGLBSA-N 1 0 209.289 1.459 10 30 BDEERO C[C@@H]1C[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953349 538897566 /nfs/dbraw/zinc/89/75/66/538897566.db2.gz LRANWJVQSRLORF-MNOVXSKESA-N 1 0 223.316 1.577 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000043395802 178365291 /nfs/dbraw/zinc/36/52/91/178365291.db2.gz LHJWMQNZTUTGCL-QWHCGFSZSA-N 1 0 242.326 1.910 10 30 BDEERO Cc1ccc(C#N)c(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000051883255 178365309 /nfs/dbraw/zinc/36/53/09/178365309.db2.gz MVWQJTCKYHBHFX-LLVKDONJSA-N 1 0 231.299 1.640 10 30 BDEERO CCC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C#N ZINC000149226811 342793360 /nfs/dbraw/zinc/79/33/60/342793360.db2.gz VRDMTSHVLJVMJQ-TUAOUCFPSA-N 1 0 237.347 1.655 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000380171762 538987107 /nfs/dbraw/zinc/98/71/07/538987107.db2.gz DRECSUCGMJEFFN-AXFHLTTASA-N 1 0 208.305 1.045 10 30 BDEERO CNC(=[NH+]N)c1ccc(F)cc1Br ZINC000042035295 361926540 /nfs/dbraw/zinc/92/65/40/361926540.db2.gz KNQPNDUQVJECNH-UHFFFAOYSA-N 1 0 246.083 1.428 10 30 BDEERO C=C(CC)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381247669 538996633 /nfs/dbraw/zinc/99/66/33/538996633.db2.gz OPTVSHZSEZDDGX-AAEUAGOBSA-N 1 0 224.348 1.799 10 30 BDEERO N#Cc1ncccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250073797 398296020 /nfs/dbraw/zinc/29/60/20/398296020.db2.gz IMJXYOGKXDNHHY-LBPRGKRZSA-N 1 0 242.326 1.628 10 30 BDEERO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233455278 342863794 /nfs/dbraw/zinc/86/37/94/342863794.db2.gz HPTRCUNFPXCADG-UHFFFAOYSA-N 1 0 249.274 1.225 10 30 BDEERO [NH3+]C1(C(=O)C2=CCCCO2)CCCCC1 ZINC000167684923 346873310 /nfs/dbraw/zinc/87/33/10/346873310.db2.gz CGAQYKLQOAROQQ-UHFFFAOYSA-N 1 0 209.289 1.911 10 30 BDEERO C=CC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000122413147 343159500 /nfs/dbraw/zinc/15/95/00/343159500.db2.gz CKGFHNJDZPCZDV-WDEREUQCSA-N 1 0 210.321 1.457 10 30 BDEERO C=CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799659 136363535 /nfs/dbraw/zinc/36/35/35/136363535.db2.gz ZHIWAJVDNKAMBR-UHFFFAOYSA-N 1 0 218.304 1.175 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cc(C#N)ncn1 ZINC000379783814 343624266 /nfs/dbraw/zinc/62/42/66/343624266.db2.gz YGVVLCITBLCKEN-LLVKDONJSA-N 1 0 233.319 1.158 10 30 BDEERO C#CCn1cc(C[NH3+])c(-c2ccccc2)n1 ZINC000409439358 343847019 /nfs/dbraw/zinc/84/70/19/343847019.db2.gz OZMAXHXEIMMFRU-UHFFFAOYSA-N 1 0 211.268 1.642 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2cccs2)C1 ZINC000409439752 343848479 /nfs/dbraw/zinc/84/84/79/343848479.db2.gz IEOWVGWKBXDUHH-VIFPVBQESA-N 1 0 207.302 1.216 10 30 BDEERO CN([C@H](C#N)c1ccccc1)C1C[NH2+]C1 ZINC000409438007 343849325 /nfs/dbraw/zinc/84/93/25/343849325.db2.gz BSDDXIVZODGZOT-GFCCVEGCSA-N 1 0 201.273 1.155 10 30 BDEERO C[NH2+]Cc1cc(-c2cccnc2)nn1CC#N ZINC000409442897 343864839 /nfs/dbraw/zinc/86/48/39/343864839.db2.gz CSJUNZXBNHJOKS-UHFFFAOYSA-N 1 0 227.271 1.188 10 30 BDEERO C=C(Br)CSC1=[NH+]CCN1 ZINC000306874013 343889519 /nfs/dbraw/zinc/88/95/19/343889519.db2.gz YTKVEABJIPCZHB-UHFFFAOYSA-N 1 0 221.123 1.587 10 30 BDEERO C=C(C)C[C@H](O)[C@@H]1CSCC[N@H+]1C ZINC000234355228 343947757 /nfs/dbraw/zinc/94/77/57/343947757.db2.gz GKWBLFUDOFNSJX-UWVGGRQHSA-N 1 0 201.335 1.361 10 30 BDEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C#N)o2)C1 ZINC000247402078 344171736 /nfs/dbraw/zinc/17/17/36/344171736.db2.gz RERNFKFZCDBLHS-BXUZGUMPSA-N 1 0 247.342 1.970 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)nc1 ZINC000149435643 347046037 /nfs/dbraw/zinc/04/60/37/347046037.db2.gz ZTHGZTZXHOIRRE-AWEZNQCLSA-N 1 0 244.342 1.874 10 30 BDEERO N#CCC1(C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000123321784 344326466 /nfs/dbraw/zinc/32/64/66/344326466.db2.gz FMLRIRRVQCRIKT-NSHDSACASA-N 1 0 208.305 1.385 10 30 BDEERO O=C(C1=CCCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000236400213 344368914 /nfs/dbraw/zinc/36/89/14/344368914.db2.gz KNOLCMWFAVBQOL-NSHDSACASA-N 1 0 209.289 1.434 10 30 BDEERO Cc1nnc(N[C@@H](C)[C@@H](C)[NH3+])c(C#N)c1C ZINC000381640741 344529114 /nfs/dbraw/zinc/52/91/14/344529114.db2.gz WXRKNLKSHKQPJZ-APPZFPTMSA-N 1 0 219.292 1.113 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000381726606 344540820 /nfs/dbraw/zinc/54/08/20/344540820.db2.gz KMLLZKFYZCAVAC-NXEZZACHSA-N 1 0 240.310 1.676 10 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ZINC000401511430 346764795 /nfs/dbraw/zinc/76/47/95/346764795.db2.gz MLWTUPGPPQYRAX-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO C#CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000309968663 347206348 /nfs/dbraw/zinc/20/63/48/347206348.db2.gz OLOSKECZEPHIQP-NWDGAFQWSA-N 1 0 223.316 1.183 10 30 BDEERO Cc1cccc([C@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019268158 179191640 /nfs/dbraw/zinc/19/16/40/179191640.db2.gz IXEYKKZXHCYXEU-ZDUSSCGKSA-N 1 0 215.300 1.465 10 30 BDEERO N#Cc1csc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000382106804 347294077 /nfs/dbraw/zinc/29/40/77/347294077.db2.gz CWHQZMBWNCHMRA-WCBMZHEXSA-N 1 0 208.286 1.090 10 30 BDEERO N#Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000310368250 347272496 /nfs/dbraw/zinc/27/24/96/347272496.db2.gz MWAKQIKOMIWPNC-GXSJLCMTSA-N 1 0 231.303 1.278 10 30 BDEERO Cc1nc(C#N)sc1C1=CC[NH2+]CC1 ZINC000669380417 537990231 /nfs/dbraw/zinc/99/02/31/537990231.db2.gz MHKQRPCEUIQXBK-UHFFFAOYSA-N 1 0 205.286 1.700 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000594693054 348100141 /nfs/dbraw/zinc/10/01/41/348100141.db2.gz JLWLMPJRIUQAHE-UHFFFAOYSA-N 1 0 221.279 1.871 10 30 BDEERO CN(CC(C)(C)[NH3+])c1cccc(F)c1C#N ZINC000594692910 348100455 /nfs/dbraw/zinc/10/04/55/348100455.db2.gz FRELTMCSICOWNI-UHFFFAOYSA-N 1 0 221.279 1.871 10 30 BDEERO CN1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)CC1=O ZINC000594982369 348164771 /nfs/dbraw/zinc/16/47/71/348164771.db2.gz DATGRBJQKKTYGK-SECBINFHSA-N 1 0 249.339 1.188 10 30 BDEERO N#Cc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000595000633 348169358 /nfs/dbraw/zinc/16/93/58/348169358.db2.gz JBCSWSOOCGAJRM-UHFFFAOYSA-N 1 0 216.284 1.419 10 30 BDEERO C[C@]1(C#N)CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000595841394 348376348 /nfs/dbraw/zinc/37/63/48/348376348.db2.gz LKRPZRGFEKCAPI-YNEHKIRRSA-N 1 0 222.332 1.773 10 30 BDEERO C=CCCSCCNC(=O)[C@H]([NH3+])CCC ZINC000595940444 348409537 /nfs/dbraw/zinc/40/95/37/348409537.db2.gz QZABYWCDLLHWBG-SNVBAGLBSA-N 1 0 230.377 1.539 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000595979670 348414276 /nfs/dbraw/zinc/41/42/76/348414276.db2.gz CDDROJQFQOZBAC-YPMHNXCESA-N 1 0 235.331 1.281 10 30 BDEERO Cc1cc(C#N)cc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000596030059 348425987 /nfs/dbraw/zinc/42/59/87/348425987.db2.gz GUNBEPYYLFRHMH-GFCCVEGCSA-N 1 0 232.331 1.469 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596034178 348427782 /nfs/dbraw/zinc/42/77/82/348427782.db2.gz XHITVKHBFKGOSE-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO C[NH2+]C[C@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596033719 348427823 /nfs/dbraw/zinc/42/78/23/348427823.db2.gz VNKGTHAEGSISKB-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597083203 348659565 /nfs/dbraw/zinc/65/95/65/348659565.db2.gz PTFMZFIRDCAHMG-CYDGBPFRSA-N 1 0 220.316 1.836 10 30 BDEERO C#CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000038812734 348717351 /nfs/dbraw/zinc/71/73/51/348717351.db2.gz KAOIZERGCUSRNR-CYBMUJFWSA-N 1 0 215.296 1.775 10 30 BDEERO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000308889413 349023387 /nfs/dbraw/zinc/02/33/87/349023387.db2.gz VTWPINFTFABMJP-UTUOFQBUSA-N 1 0 208.305 1.837 10 30 BDEERO CC(C)SCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000304336218 535103787 /nfs/dbraw/zinc/10/37/87/535103787.db2.gz VCUKZDZYCMQMKD-SNVBAGLBSA-N 1 0 245.392 1.729 10 30 BDEERO Cc1nccn1Cc1ccccc1C#CC[NH3+] ZINC000049610085 180269108 /nfs/dbraw/zinc/26/91/08/180269108.db2.gz VBAMHFIZPSEBMX-UHFFFAOYSA-N 1 0 225.295 1.550 10 30 BDEERO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000309350330 350327801 /nfs/dbraw/zinc/32/78/01/350327801.db2.gz BROLZODGHSVJCD-UTUOFQBUSA-N 1 0 226.320 1.056 10 30 BDEERO Cc1nn(C)c(N[C@H]2CCCC[C@H]2[NH3+])c1C#N ZINC000104309464 180360893 /nfs/dbraw/zinc/36/08/93/180360893.db2.gz XSFGEINSKOSHPT-MNOVXSKESA-N 1 0 233.319 1.282 10 30 BDEERO c1ccc2c(c1)CN(C[C@H]1CO1)CCO2 ZINC000063012675 350596771 /nfs/dbraw/zinc/59/67/71/350596771.db2.gz OBIHSNSKTVCFCJ-NSHDSACASA-N 1 0 205.257 1.280 10 30 BDEERO N#Cc1ccc([C@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616598452 350671523 /nfs/dbraw/zinc/67/15/23/350671523.db2.gz LIGZTYWBVVEZEP-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H]1N(C)C ZINC000124127481 350682588 /nfs/dbraw/zinc/68/25/88/350682588.db2.gz SJYQGXPKTQVMAZ-NEPJUHHUSA-N 1 0 209.337 1.562 10 30 BDEERO N#Cc1cccnc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382454514 350816065 /nfs/dbraw/zinc/81/60/65/350816065.db2.gz IDHJUCSNJVMMMK-MWLCHTKSSA-N 1 0 216.288 1.493 10 30 BDEERO C[C@@H](CC#N)N(C)C(=[NH2+])NCc1ccccc1 ZINC000306676675 350829174 /nfs/dbraw/zinc/82/91/74/350829174.db2.gz WUHCCNSOSVYVTC-NSHDSACASA-N 1 0 230.315 1.945 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cccnc1C#N ZINC000131067102 350917318 /nfs/dbraw/zinc/91/73/18/350917318.db2.gz BLYWDFVGXQMXKG-VIFPVBQESA-N 1 0 204.277 1.348 10 30 BDEERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397572097 350920733 /nfs/dbraw/zinc/92/07/33/350920733.db2.gz CEQHQBSZEOEKNB-NWDGAFQWSA-N 1 0 210.321 1.773 10 30 BDEERO C=C(C)[C@@H]([NH3+])c1cnn(C)c1Br ZINC000306754828 350967028 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1 0 211.305 1.324 10 30 BDEERO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000135017261 358817047 /nfs/dbraw/zinc/81/70/47/358817047.db2.gz QRFVDQFPALHICI-YPMHNXCESA-N 1 0 224.348 1.751 10 30 BDEERO CC[NH+]1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000061891106 358936753 /nfs/dbraw/zinc/93/67/53/358936753.db2.gz LPXXJPBFDPCHNL-AAEUAGOBSA-N 1 0 221.348 1.753 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1SCCS[C@@H]1CC ZINC000228151893 359011424 /nfs/dbraw/zinc/01/14/24/359011424.db2.gz IRKNBIHTZIAIBL-YIZRAAEISA-N 1 0 201.360 1.574 10 30 BDEERO C=C(Br)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247049643 359191650 /nfs/dbraw/zinc/19/16/50/359191650.db2.gz FERXZLDHWKTVPU-JTQLQIEISA-N 1 0 245.164 1.675 10 30 BDEERO N#Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449507 359643935 /nfs/dbraw/zinc/64/39/35/359643935.db2.gz JPCPIQSFECCNGL-YPMHNXCESA-N 1 0 243.310 1.872 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389779745 360345521 /nfs/dbraw/zinc/34/55/21/360345521.db2.gz CSIIBLZTIZDHID-CABZTGNLSA-N 1 0 230.315 1.672 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@H](CC)C1CCOCC1 ZINC000309527497 491150056 /nfs/dbraw/zinc/15/00/56/491150056.db2.gz CUYVSBYSVGEOLW-OLZOCXBDSA-N 1 0 227.348 1.718 10 30 BDEERO N=C(N)Nc1nc(-c2cccc(N)c2)cs1 ZINC000027526172 181323099 /nfs/dbraw/zinc/32/30/99/181323099.db2.gz QDNHJPYZKZDMNJ-UHFFFAOYSA-N 1 0 233.300 1.297 10 30 BDEERO NC(=[NH2+])Nc1ncc(Cl)cc1Br ZINC000013436505 181324625 /nfs/dbraw/zinc/32/46/25/181324625.db2.gz ZHTJJARQXVNWMM-UHFFFAOYSA-N 1 0 249.499 1.402 10 30 BDEERO C[C@@H](C1CC1)N(Cc1ccccc1)/C(N)=[NH+]/O ZINC000306626354 361291091 /nfs/dbraw/zinc/29/10/91/361291091.db2.gz HQJJUWCHMMATKF-JTQLQIEISA-N 1 0 233.315 1.991 10 30 BDEERO C[C@H]1C[N@H+](CC2(C=O)CCCC2)C[C@H]1O ZINC000306628094 361298434 /nfs/dbraw/zinc/29/84/34/361298434.db2.gz JGNUEQLENRYODH-WDEREUQCSA-N 1 0 211.305 1.058 10 30 BDEERO CC#CCCN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000155460658 201334898 /nfs/dbraw/zinc/33/48/98/201334898.db2.gz PJPDASAXSAIXLE-ZIAGYGMSSA-N 1 0 238.375 1.177 10 30 BDEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)C2CC2)c1 ZINC000049587011 181346029 /nfs/dbraw/zinc/34/60/29/181346029.db2.gz OSJDXLXBDSUICI-UHFFFAOYSA-N 1 0 246.285 1.162 10 30 BDEERO [NH3+]CC#Cc1cccc(Cn2cc(Cl)cn2)c1 ZINC000049610226 181346905 /nfs/dbraw/zinc/34/69/05/181346905.db2.gz MGIDWBVHTYLNRQ-UHFFFAOYSA-N 1 0 245.713 1.895 10 30 BDEERO [NH3+]CC#Cc1ccccc1CNC(=O)C1CC1 ZINC000049586397 181346373 /nfs/dbraw/zinc/34/63/73/181346373.db2.gz JSDUKBIDBQOELW-UHFFFAOYSA-N 1 0 228.295 1.023 10 30 BDEERO CCN(CC[NH3+])c1ccc(C#N)c(Cl)c1 ZINC000122815349 363838871 /nfs/dbraw/zinc/83/88/71/363838871.db2.gz USIPHIQAQAPIJZ-UHFFFAOYSA-N 1 0 223.707 1.997 10 30 BDEERO CCN(CC[NH3+])c1cccc(C#N)c1[N+](=O)[O-] ZINC000122838681 363888872 /nfs/dbraw/zinc/88/88/72/363888872.db2.gz QHGNRLRPUKVWKE-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO N#Cc1ccc(NCC2([NH3+])CCOCC2)c(F)c1 ZINC000600952046 364371764 /nfs/dbraw/zinc/37/17/64/364371764.db2.gz LHVSHRHYQXTZNY-UHFFFAOYSA-N 1 0 249.289 1.617 10 30 BDEERO CN(CCC[NH3+])c1cc(C#N)ccc1[N+](=O)[O-] ZINC000130703432 364749442 /nfs/dbraw/zinc/74/94/42/364749442.db2.gz MWKUQNLHARBATI-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@H]1CSC[C@@H]1C ZINC000379373249 541455821 /nfs/dbraw/zinc/45/58/21/541455821.db2.gz WXWDXDZPUUBINX-GUBZILKMSA-N 1 0 201.335 1.265 10 30 BDEERO C=C1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000382585591 367544799 /nfs/dbraw/zinc/54/47/99/367544799.db2.gz SKJOIDVUDZRTMX-ZDUSSCGKSA-N 1 0 222.332 1.697 10 30 BDEERO CC[NH2+][C@H](C)CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000387618465 368987430 /nfs/dbraw/zinc/98/74/30/368987430.db2.gz BDBBCYZRZWJEHT-MRVPVSSYSA-N 1 0 249.274 1.271 10 30 BDEERO CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000106880738 369214408 /nfs/dbraw/zinc/21/44/08/369214408.db2.gz PENHGVIWSGDUHO-LBPRGKRZSA-N 1 0 202.257 1.561 10 30 BDEERO Cc1cc(C#N)nc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955058 369575672 /nfs/dbraw/zinc/57/56/72/369575672.db2.gz JEVLTZGQHUTTJG-WPRPVWTQSA-N 1 0 231.303 1.209 10 30 BDEERO Cc1ccc(C#N)c(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000600959052 369577210 /nfs/dbraw/zinc/57/72/10/369577210.db2.gz QYHBXHBJMOWBFB-CYBMUJFWSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000600864065 369570002 /nfs/dbraw/zinc/57/00/02/369570002.db2.gz WNABSQVDYQJFCV-BXKDBHETSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1cccc(F)c1C#N ZINC000600962523 369579582 /nfs/dbraw/zinc/57/95/82/369579582.db2.gz FRRADQGHWQXZGB-DTWKUNHWSA-N 1 0 219.263 1.623 10 30 BDEERO N#Cc1cnccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600963554 369581153 /nfs/dbraw/zinc/58/11/53/369581153.db2.gz XZAJDVNCDJEZKR-UMSPYCQHSA-N 1 0 230.315 1.305 10 30 BDEERO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)cc(C#N)n1 ZINC000600962796 369581220 /nfs/dbraw/zinc/58/12/20/369581220.db2.gz MJJRXLZQTLUCJC-ZJUUUORDSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1F ZINC000600962826 369581227 /nfs/dbraw/zinc/58/12/27/369581227.db2.gz NHXIPSBBAUQMDT-WPRPVWTQSA-N 1 0 219.263 1.623 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600962779 369581708 /nfs/dbraw/zinc/58/17/08/369581708.db2.gz MCZATNDRWKGVDE-SCZZXKLOSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000111263393 370119375 /nfs/dbraw/zinc/11/93/75/370119375.db2.gz LYFHNLQPBGQWQX-BXKDBHETSA-N 1 0 229.283 1.352 10 30 BDEERO N#Cc1ccncc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310768006 370364646 /nfs/dbraw/zinc/36/46/46/370364646.db2.gz OIQJONSVTKMPJH-JSGCOSHPSA-N 1 0 242.326 1.518 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000390264886 371192673 /nfs/dbraw/zinc/19/26/73/371192673.db2.gz PKWAPORAPHFGBI-RYUDHWBXSA-N 1 0 237.347 1.527 10 30 BDEERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131787580 371673557 /nfs/dbraw/zinc/67/35/57/371673557.db2.gz QEXVKNONCPZBBS-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO CC#CCNCc1cccc(Br)n1 ZINC000163467629 371998819 /nfs/dbraw/zinc/99/88/19/371998819.db2.gz PYGZGXAFGSTVLW-UHFFFAOYSA-N 1 0 239.116 1.957 10 30 BDEERO C#CC[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000228282739 372012976 /nfs/dbraw/zinc/01/29/76/372012976.db2.gz GHKMNUVWDLTRQT-CIUDSAMLSA-N 1 0 201.360 1.574 10 30 BDEERO C=C(C[NH3+])Cn1cc(Br)cn1 ZINC000231625867 372064875 /nfs/dbraw/zinc/06/48/75/372064875.db2.gz JAXNRIHHNFLPGJ-UHFFFAOYSA-N 1 0 216.082 1.161 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1ccnc(C#N)c1 ZINC000133641637 372085274 /nfs/dbraw/zinc/08/52/74/372085274.db2.gz KMYPOPKMWQWBID-CYBMUJFWSA-N 1 0 232.331 1.763 10 30 BDEERO C#Cc1ccc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000606302657 372091988 /nfs/dbraw/zinc/09/19/88/372091988.db2.gz RNJKPNCDFQRHQU-LBPRGKRZSA-N 1 0 216.284 1.441 10 30 BDEERO O=C(C[n+]1ccccc1)NCc1ccccc1 ZINC000006885174 182033160 /nfs/dbraw/zinc/03/31/60/182033160.db2.gz UOINIVJLKRTFHQ-UHFFFAOYSA-O 1 0 227.287 1.291 10 30 BDEERO CCCN(c1ccnc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000104339741 169182776 /nfs/dbraw/zinc/18/27/76/169182776.db2.gz UUJQKZONHJEIQT-AWEZNQCLSA-N 1 0 244.342 1.922 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000336703265 384253371 /nfs/dbraw/zinc/25/33/71/384253371.db2.gz KKWZOGOOASCBEE-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO C#CCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000227423345 533057022 /nfs/dbraw/zinc/05/70/22/533057022.db2.gz LYDOVKMFFLSCDT-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C=CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188067037 384359399 /nfs/dbraw/zinc/35/93/99/384359399.db2.gz SNTBAVRNSSVKAO-RYUDHWBXSA-N 1 0 223.341 1.942 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000070916261 384466058 /nfs/dbraw/zinc/46/60/58/384466058.db2.gz YRQHIGUDIRDGRY-CYBMUJFWSA-N 1 0 215.300 1.699 10 30 BDEERO N#Cc1ccnc(N2CCC(CC[NH3+])CC2)c1 ZINC000070188690 384469873 /nfs/dbraw/zinc/46/98/73/384469873.db2.gz AUHRGBZXFRBPJH-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300865067 384613817 /nfs/dbraw/zinc/61/38/17/384613817.db2.gz ONUUFHOQOGJCEE-NOOOWODRSA-N 1 0 208.305 1.693 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000071139986 384654161 /nfs/dbraw/zinc/65/41/61/384654161.db2.gz JDSAMHWGUOHPRR-ZDUSSCGKSA-N 1 0 243.310 1.334 10 30 BDEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000310015707 384795713 /nfs/dbraw/zinc/79/57/13/384795713.db2.gz KVCBMDIQLPOXMI-SDDRHHMPSA-N 1 0 224.348 1.988 10 30 BDEERO Cc1ccnc(N2CC[C@@H]([NH+](C)C)C2)c1C#N ZINC000135077298 385147814 /nfs/dbraw/zinc/14/78/14/385147814.db2.gz XCHVEGNTZNBYCY-LLVKDONJSA-N 1 0 230.315 1.402 10 30 BDEERO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc(C#N)n1 ZINC000308241444 385413370 /nfs/dbraw/zinc/41/33/70/385413370.db2.gz PNWDDCPLVFUNIG-ZANVPECISA-N 1 0 230.315 1.435 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)nc1 ZINC000309489250 385606233 /nfs/dbraw/zinc/60/62/33/385606233.db2.gz ZDUDPQSFEQEMHJ-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)CC#N ZINC000185426817 385730393 /nfs/dbraw/zinc/73/03/93/385730393.db2.gz BOUOCJQBGBHHDG-LLVKDONJSA-N 1 0 223.320 1.281 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nccc(C#N)n1 ZINC000231903627 385878582 /nfs/dbraw/zinc/87/85/82/385878582.db2.gz QGCFBVQTIPKUJK-ZYHUDNBSSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@H]1[C@H]([NH3+])CCN1Cc1cccc(C#N)c1 ZINC000309249303 386037960 /nfs/dbraw/zinc/03/79/60/386037960.db2.gz ZIMIOFMGLQDPQX-GXFFZTMASA-N 1 0 215.300 1.480 10 30 BDEERO CC[C@@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000408367933 386393157 /nfs/dbraw/zinc/39/31/57/386393157.db2.gz ZTEPJUHNLGRTCU-ONGXEEELSA-N 1 0 221.304 1.032 10 30 BDEERO CCCCCCCS(=O)(=O)CC[NH3+] ZINC000059568760 386480804 /nfs/dbraw/zinc/48/08/04/386480804.db2.gz XIJYFLXHNFNSSD-UHFFFAOYSA-N 1 0 207.339 1.330 10 30 BDEERO C[C@@H]1[C@@H](NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307416374 386647802 /nfs/dbraw/zinc/64/78/02/386647802.db2.gz LFZFPOCZSPQVIY-OCCSQVGLSA-N 1 0 229.327 1.763 10 30 BDEERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064327 386671811 /nfs/dbraw/zinc/67/18/11/386671811.db2.gz KGYBTRZGWVCCTP-PWSUYJOCSA-N 1 0 230.315 1.223 10 30 BDEERO N#CCCOCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398802907 386995330 /nfs/dbraw/zinc/99/53/30/386995330.db2.gz RVJMZNVZSKHEIC-AVGNSLFASA-N 1 0 238.331 1.009 10 30 BDEERO N#CCCOCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398802912 386996573 /nfs/dbraw/zinc/99/65/73/386996573.db2.gz RVJMZNVZSKHEIC-XQQFMLRXSA-N 1 0 238.331 1.009 10 30 BDEERO [NH3+]CCCC#Cc1ccc(Br)cn1 ZINC000575507728 387381383 /nfs/dbraw/zinc/38/13/83/387381383.db2.gz MUNHNFYCKYBFKY-UHFFFAOYSA-N 1 0 239.116 1.935 10 30 BDEERO CC[C@@H]([NH3+])C#Cc1ccc(Br)cn1 ZINC000575508701 387392538 /nfs/dbraw/zinc/39/25/38/387392538.db2.gz SAQUHGXQQCUTFL-SECBINFHSA-N 1 0 239.116 1.933 10 30 BDEERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CO1 ZINC000396801979 387495103 /nfs/dbraw/zinc/49/51/03/387495103.db2.gz LIRFFLMHLYRESI-GARJFASQSA-N 1 0 208.305 1.836 10 30 BDEERO Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC000292051965 387489537 /nfs/dbraw/zinc/48/95/37/387489537.db2.gz WCKWVNGPKJBQGC-LBPRGKRZSA-N 1 0 244.342 1.650 10 30 BDEERO C=C(Br)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575558734 387699737 /nfs/dbraw/zinc/69/97/37/387699737.db2.gz RQJFLINXKPQQDX-ZJUUUORDSA-N 1 0 245.164 1.436 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193638577 387860070 /nfs/dbraw/zinc/86/00/70/387860070.db2.gz SSHGKTSJIVSBHJ-AOOOYVTPSA-N 1 0 245.164 1.388 10 30 BDEERO C#CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194061399 387815658 /nfs/dbraw/zinc/81/56/58/387815658.db2.gz BQKGYUNPFXETEI-FRRDWIJNSA-N 1 0 219.328 1.947 10 30 BDEERO C[C@H](CO)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086623776 388104867 /nfs/dbraw/zinc/10/48/67/388104867.db2.gz AIWXAZFAPGCTBN-GRTSSRMGSA-N 1 0 244.338 1.828 10 30 BDEERO C#CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515768 388165700 /nfs/dbraw/zinc/16/57/00/388165700.db2.gz FUBCLJREZIRGFO-GFCCVEGCSA-N 1 0 215.300 1.449 10 30 BDEERO N#Cc1ccnc(NCC23CC(C2)C[NH2+]3)c1 ZINC000596026878 388400659 /nfs/dbraw/zinc/40/06/59/388400659.db2.gz NRJQRQGUNCAFJZ-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)c(F)c1 ZINC000596026385 388400683 /nfs/dbraw/zinc/40/06/83/388400683.db2.gz JETSBCPFSFFGFU-UHFFFAOYSA-N 1 0 231.274 1.861 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000393824430 388443652 /nfs/dbraw/zinc/44/36/52/388443652.db2.gz BSBWQGURSZVTJI-LBPRGKRZSA-N 1 0 246.310 1.271 10 30 BDEERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C#N)cc1 ZINC000310313289 388668671 /nfs/dbraw/zinc/66/86/71/388668671.db2.gz UMQNAEBURSPMLF-SKDRFNHKSA-N 1 0 229.283 1.120 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000310557096 388670043 /nfs/dbraw/zinc/67/00/43/388670043.db2.gz YVXIULHKCDCYQN-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO CC#CCCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248395969 388677577 /nfs/dbraw/zinc/67/75/77/388677577.db2.gz PJPDASAXSAIXLE-KBPBESRZSA-N 1 0 238.375 1.177 10 30 BDEERO C=CCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249136359 388710257 /nfs/dbraw/zinc/71/02/57/388710257.db2.gz HMIWVVGFXHCCJG-VXGBXAGGSA-N 1 0 239.363 1.543 10 30 BDEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000282466225 388816556 /nfs/dbraw/zinc/81/65/56/388816556.db2.gz UJEAGQBGCWKNKG-GZMMTYOYSA-N 1 0 249.339 1.376 10 30 BDEERO C[C@H]1CCCN(c2ccc(C#N)cn2)[C@@H]1C[NH3+] ZINC000070178488 132230256 /nfs/dbraw/zinc/23/02/56/132230256.db2.gz YDMJSVOHPSIWOP-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO C=CCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000019688476 132249834 /nfs/dbraw/zinc/24/98/34/132249834.db2.gz ZETSZLGQRRWLPV-UHFFFAOYSA-N 1 0 218.300 1.661 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cccc(C#N)n1 ZINC000251790028 132304026 /nfs/dbraw/zinc/30/40/26/132304026.db2.gz NJGFYZQOULRQLW-YPMHNXCESA-N 1 0 242.326 1.626 10 30 BDEERO N#Cc1cnccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000372522663 132312158 /nfs/dbraw/zinc/31/21/58/132312158.db2.gz MTRYVAPTMQJANJ-CYBMUJFWSA-N 1 0 242.326 1.628 10 30 BDEERO Cc1cccc(N2CC[NH+](C[C@H]3CO3)CC2)c1 ZINC000019264619 132324332 /nfs/dbraw/zinc/32/43/32/132324332.db2.gz GCSKKASWLGMDLV-AWEZNQCLSA-N 1 0 232.327 1.516 10 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30 BDEERO C[C@H]1[C@H]([NH3+])CCN1c1nccc(C#N)c1Cl ZINC000261582798 135110460 /nfs/dbraw/zinc/11/04/60/135110460.db2.gz OSAKDGAWZAQUBX-IONNQARKSA-N 1 0 236.706 1.533 10 30 BDEERO Cc1cc(C#N)nc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000261550824 135190000 /nfs/dbraw/zinc/19/00/00/135190000.db2.gz QZIHFILBBBLOMJ-JOYOIKCWSA-N 1 0 245.330 1.220 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCO1)N[C@@H]1CC1(C)C ZINC000261766133 135251956 /nfs/dbraw/zinc/25/19/56/135251956.db2.gz NNTSUTMALGPGQZ-MFKMUULPSA-N 1 0 239.363 1.519 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1cccn1C ZINC000261937264 135264535 /nfs/dbraw/zinc/26/45/35/135264535.db2.gz CRUCOHVGKFPGGI-CMPLNLGQSA-N 1 0 234.347 1.441 10 30 BDEERO COc1cccc(NC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000261991572 135269731 /nfs/dbraw/zinc/26/97/31/135269731.db2.gz MGBXCOMUMVZKEP-KCJUWKMLSA-N 1 0 219.288 1.830 10 30 BDEERO C[C@H]1CC(CNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000262155498 135282512 /nfs/dbraw/zinc/28/25/12/135282512.db2.gz NMKDLQWQRSLCGQ-UWVGGRQHSA-N 1 0 241.379 1.893 10 30 BDEERO C=CCNC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262465720 135300987 /nfs/dbraw/zinc/30/09/87/135300987.db2.gz YFTSZPUJQNRBLW-SNVBAGLBSA-N 1 0 235.262 1.350 10 30 BDEERO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H]2C2CCCCC2)N1 ZINC000262474609 135301013 /nfs/dbraw/zinc/30/10/13/135301013.db2.gz BWEPHJXKNANMDO-USWWRNFRSA-N 1 0 221.348 1.893 10 30 BDEERO C[C@@H]1CN(C(=[NH2+])NCC2(C(F)F)CC2)CCO1 ZINC000262497602 135302531 /nfs/dbraw/zinc/30/25/31/135302531.db2.gz XDHFSICWTLQRQT-MRVPVSSYSA-N 1 0 247.289 1.067 10 30 BDEERO CC(C)[C@H]1OCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262541432 135304484 /nfs/dbraw/zinc/30/44/84/135304484.db2.gz SAERDIMNJDPGOO-WDEREUQCSA-N 1 0 241.379 1.750 10 30 BDEERO CN(C)C(=[NH2+])NC[C@@H](O)c1ccc(Cl)s1 ZINC000262551345 135305547 /nfs/dbraw/zinc/30/55/47/135305547.db2.gz YMQHLCYMNHXICC-ZCFIWIBFSA-N 1 0 247.751 1.311 10 30 BDEERO C[C@@H](CNC1=[NH+]C[C@@H](C)N1)C(F)(F)F ZINC000262640959 135309893 /nfs/dbraw/zinc/30/98/93/135309893.db2.gz HUGWVPAGIVWJCE-NTSWFWBYSA-N 1 0 209.215 1.122 10 30 BDEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@H]1C#N ZINC000262787569 135318000 /nfs/dbraw/zinc/31/80/00/135318000.db2.gz NANSOIVFFQRSEP-GXSJLCMTSA-N 1 0 220.320 1.396 10 30 BDEERO C[C@H]1CC(CNC2=[NH+]CCCN2C)C[C@H](C)O1 ZINC000263180614 135337634 /nfs/dbraw/zinc/33/76/34/135337634.db2.gz UFSVFPNGXWMQQC-QWRGUYRKSA-N 1 0 239.363 1.471 10 30 BDEERO N#Cc1cccc(CCNC(=[NH2+])N2CCC2)c1 ZINC000263195890 135338457 /nfs/dbraw/zinc/33/84/57/135338457.db2.gz WLUBLUDOPWFQIC-UHFFFAOYSA-N 1 0 228.299 1.121 10 30 BDEERO C[C@H]1CN(CC2(C#N)CC2)C[C@H]1[NH+](C)C ZINC000334324130 135353180 /nfs/dbraw/zinc/35/31/80/135353180.db2.gz ZZAGNIKSKIHQEY-WDEREUQCSA-N 1 0 207.321 1.172 10 30 BDEERO N/C(=N/O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000079812536 135362521 /nfs/dbraw/zinc/36/25/21/135362521.db2.gz AZCDSJPLOSNPEJ-QWRGUYRKSA-N 1 0 241.335 1.156 10 30 BDEERO CC(C)N[C@@](C)(C#N)CCCn1cnc(C#N)n1 ZINC000061842717 167137444 /nfs/dbraw/zinc/13/74/44/167137444.db2.gz AUOHEGGIWGBJBW-GFCCVEGCSA-N 1 0 246.318 1.210 10 30 BDEERO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH2+]C ZINC000655430029 410248364 /nfs/dbraw/zinc/24/83/64/410248364.db2.gz XIEMUAOKWYNORL-SSDOTTSWSA-N 1 0 224.226 1.171 10 30 BDEERO C#CCOc1c(OC)cc(C[C@@H](C)[NH3+])cc1OC ZINC000037728669 166197638 /nfs/dbraw/zinc/19/76/38/166197638.db2.gz IQPVHGIGMCRFNY-SNVBAGLBSA-N 1 0 249.310 1.606 10 30 BDEERO C=CCNC(=O)COc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726376 166372339 /nfs/dbraw/zinc/37/23/39/166372339.db2.gz FHDAMGNIHZDSFD-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076618899 166372619 /nfs/dbraw/zinc/37/26/19/166372619.db2.gz CEJVNKZMIQCPIH-NSHDSACASA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccccc1C ZINC000057520883 166375205 /nfs/dbraw/zinc/37/52/05/166375205.db2.gz RWPXHPQBDAHBEI-GFCCVEGCSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000037698310 166388634 /nfs/dbraw/zinc/38/86/34/166388634.db2.gz CBFPAOBIHSEPCK-MNOVXSKESA-N 1 0 248.326 1.776 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000035180611 166388666 /nfs/dbraw/zinc/38/86/66/166388666.db2.gz JYVILIIJQQZTAC-FZMZJTMJSA-N 1 0 244.338 1.954 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]CCCC(C)C ZINC000037984509 166389525 /nfs/dbraw/zinc/38/95/25/166389525.db2.gz KYZHJVQDCJTWNQ-NSHDSACASA-N 1 0 212.337 1.703 10 30 BDEERO CC(C)C[NH2+]CCCc1cnn(CCC#N)c1 ZINC000054680036 167004827 /nfs/dbraw/zinc/00/48/27/167004827.db2.gz YTUPNMBYQGUWSJ-UHFFFAOYSA-N 1 0 234.347 1.975 10 30 BDEERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000037946187 167013018 /nfs/dbraw/zinc/01/30/18/167013018.db2.gz WYOHNCDZWQOAHO-LBPRGKRZSA-N 1 0 231.299 1.330 10 30 BDEERO CC(C)[NH2+]CCNC(=O)C#Cc1ccccc1 ZINC000054264981 167106386 /nfs/dbraw/zinc/10/63/86/167106386.db2.gz KAFHXCGBLRBDHI-UHFFFAOYSA-N 1 0 230.311 1.152 10 30 BDEERO CC(C)[NH2+]C[C@@H](O)CN(C)c1cccc(C#N)c1 ZINC000061950835 167112148 /nfs/dbraw/zinc/11/21/48/167112148.db2.gz YANWVKRDMFWXRG-CQSZACIVSA-N 1 0 247.342 1.353 10 30 BDEERO CC(C)N[C@@H](C#N)CCN(C)CCC[NH+](C)C ZINC000104192345 167128990 /nfs/dbraw/zinc/12/89/90/167128990.db2.gz SUSLUAFCRMBYCN-CYBMUJFWSA-N 1 0 240.395 1.150 10 30 BDEERO CCC(=O)NCC/[NH+]=C/c1ccc(N(C)C)cc1 ZINC000003073085 168227932 /nfs/dbraw/zinc/22/79/32/168227932.db2.gz JDOQTIGOLBWLSL-RVDMUPIBSA-N 1 0 247.342 1.698 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000659358416 411402123 /nfs/dbraw/zinc/40/21/23/411402123.db2.gz IQNQGQNIKNLYCD-NEPJUHHUSA-N 1 0 240.347 1.083 10 30 BDEERO CC(C)N1CC[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000616637734 411407130 /nfs/dbraw/zinc/40/71/30/411407130.db2.gz PZJAEWRPXGTSIO-AWEZNQCLSA-N 1 0 229.327 1.913 10 30 BDEERO CC[N@@H+]1CC[C@@H](CNc2ncccc2C#N)C1 ZINC000037644704 170009148 /nfs/dbraw/zinc/00/91/48/170009148.db2.gz XUOVNPYENLZATK-NSHDSACASA-N 1 0 230.315 1.707 10 30 BDEERO C=CCC[NH2+]Cc1csc(COC)n1 ZINC000657582968 411554578 /nfs/dbraw/zinc/55/45/78/411554578.db2.gz QFGFTUYMTIPLMK-UHFFFAOYSA-N 1 0 212.318 1.955 10 30 BDEERO CCOC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049587508 170242774 /nfs/dbraw/zinc/24/27/74/170242774.db2.gz SKBBPRZZUASNAF-UHFFFAOYSA-N 1 0 232.283 1.243 10 30 BDEERO CCOc1cccc(C[C@H](C)[NH3+])c1OCC#N ZINC000037728471 170580580 /nfs/dbraw/zinc/58/05/80/170580580.db2.gz OEGUVINJBSNMDQ-JTQLQIEISA-N 1 0 234.299 1.877 10 30 BDEERO Cc1nc(NCC2([NH3+])CCOCC2)ccc1C#N ZINC000600951933 411747954 /nfs/dbraw/zinc/74/79/54/411747954.db2.gz JQCRTVCFRFRJIR-UHFFFAOYSA-N 1 0 246.314 1.182 10 30 BDEERO CC[C@@]1(C(=O)N(CCC#N)C(C)C)CC[NH2+]C1 ZINC000062891069 171194691 /nfs/dbraw/zinc/19/46/91/171194691.db2.gz HUPPWPOEAKMHRX-CYBMUJFWSA-N 1 0 237.347 1.527 10 30 BDEERO CC[C@H](C#N)N1CCC(C[NH2+]CCOC)CC1 ZINC000104421498 171219062 /nfs/dbraw/zinc/21/90/62/171219062.db2.gz RUONDQJHQXTCNG-CYBMUJFWSA-N 1 0 239.363 1.237 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C#N ZINC000026656561 171394085 /nfs/dbraw/zinc/39/40/85/171394085.db2.gz MXPSDAWSHGXASH-DCAQKATOSA-N 1 0 223.320 1.264 10 30 BDEERO C[C@H]1CC[C@@H](Nc2ccc(C#N)cn2)C[NH2+]1 ZINC000600955674 412260409 /nfs/dbraw/zinc/26/04/09/412260409.db2.gz QFIHIBNAFZBZDL-GXSJLCMTSA-N 1 0 216.288 1.506 10 30 BDEERO C=CCOCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662664340 412263115 /nfs/dbraw/zinc/26/31/15/412263115.db2.gz RTFLUAAGQVMVGH-ZDUSSCGKSA-N 1 0 240.347 1.228 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC)C1 ZINC000662634700 412251161 /nfs/dbraw/zinc/25/11/61/412251161.db2.gz IFZMOCKZIYIAOQ-NEPJUHHUSA-N 1 0 224.348 1.929 10 30 BDEERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccccc1C#N ZINC000077343565 172328983 /nfs/dbraw/zinc/32/89/83/172328983.db2.gz BIHCTOLNRCAHFN-LLVKDONJSA-N 1 0 229.283 1.131 10 30 BDEERO C[NH+](C)C(C)(C)CNCc1ccccc1C#N ZINC000049854968 172394663 /nfs/dbraw/zinc/39/46/63/172394663.db2.gz XHZDAZDFQLKKMK-UHFFFAOYSA-N 1 0 231.343 1.988 10 30 BDEERO CN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000042547472 173152607 /nfs/dbraw/zinc/15/26/07/173152607.db2.gz PPHQACKHGMKURY-LBPRGKRZSA-N 1 0 233.290 1.491 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000061986483 173154238 /nfs/dbraw/zinc/15/42/38/173154238.db2.gz PXTLLIWYSUZPPJ-ZDUSSCGKSA-N 1 0 215.300 1.869 10 30 BDEERO C[NH2+]C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C#N ZINC000051867016 173364849 /nfs/dbraw/zinc/36/48/49/173364849.db2.gz XPJWFWPWIOFWSJ-MRVPVSSYSA-N 1 0 235.243 1.453 10 30 BDEERO COCCC(=O)Nc1ccc(C#CC[NH3+])c(C)c1 ZINC000053732036 174135940 /nfs/dbraw/zinc/13/59/40/174135940.db2.gz OFPJAKYQEKQBHX-UHFFFAOYSA-N 1 0 246.310 1.280 10 30 BDEERO COCCN(CCC#N)[C@H]([C@H](C)[NH3+])C(C)(C)C ZINC000071222430 174289431 /nfs/dbraw/zinc/28/94/31/174289431.db2.gz QWOGTQRGZPIWHB-NWDGAFQWSA-N 1 0 241.379 1.610 10 30 BDEERO COCC[NH2+]Cc1cc(C#N)ccc1F ZINC000020036202 174334380 /nfs/dbraw/zinc/33/43/80/174334380.db2.gz ZZDFUEYEQXZOAC-UHFFFAOYSA-N 1 0 208.236 1.433 10 30 BDEERO COc1cc([C@@H](C#N)NCC[NH+](C)C)ccc1O ZINC000037940779 175013485 /nfs/dbraw/zinc/01/34/85/175013485.db2.gz OYVDPOYNTIVTQT-LLVKDONJSA-N 1 0 249.314 1.117 10 30 BDEERO COc1ccc(C[N@H+](C)C2CC2)cc1C#CCO ZINC000049617406 175094747 /nfs/dbraw/zinc/09/47/47/175094747.db2.gz JGTSARJNBNPNPH-UHFFFAOYSA-N 1 0 245.322 1.633 10 30 BDEERO COc1ccc(COC(C)C)cc1C#CC[NH3+] ZINC000049610745 175113745 /nfs/dbraw/zinc/11/37/45/175113745.db2.gz RWNCQCQGVUTOTE-UHFFFAOYSA-N 1 0 233.311 1.930 10 30 BDEERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@H](C)C#N ZINC000043098319 175353268 /nfs/dbraw/zinc/35/32/68/175353268.db2.gz XEWOOAFJPLDRSA-YPMHNXCESA-N 1 0 247.342 1.786 10 30 BDEERO C[C@@H]([NH3+])[C@@H](c1cccs1)n1cnc(C#N)n1 ZINC000061841950 175810584 /nfs/dbraw/zinc/81/05/84/175810584.db2.gz CKIFBSKLMXNKEO-XCBNKYQSSA-N 1 0 233.300 1.148 10 30 BDEERO C[C@@H](S)[C@@H]1[NH2+]CCc2cc(O)ccc21 ZINC000083660567 176007219 /nfs/dbraw/zinc/00/72/19/176007219.db2.gz KMIHISHJGUSROS-HQJQHLMTSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1 ZINC000335658602 176185993 /nfs/dbraw/zinc/18/59/93/176185993.db2.gz UVUQOPNCOREGAB-ZWNOBZJWSA-N 1 0 215.300 1.968 10 30 BDEERO C[C@@H]1C[N@H+](CCC[C@](C)(N)C#N)CCCO1 ZINC000061933076 176289975 /nfs/dbraw/zinc/28/99/75/176289975.db2.gz DDGNPNDGSYEKHV-NEPJUHHUSA-N 1 0 225.336 1.118 10 30 BDEERO C[C@@H]1COCCN1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609129 176337481 /nfs/dbraw/zinc/33/74/81/176337481.db2.gz YHNMSIIBHIZJCM-CYBMUJFWSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@@H]1C[C@@H](N(C)c2nccc(C#N)n2)CC[N@@H+]1C ZINC000297133089 176371882 /nfs/dbraw/zinc/37/18/82/176371882.db2.gz NCOOXKJQOQEDEH-PWSUYJOCSA-N 1 0 245.330 1.267 10 30 BDEERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037551353 176387329 /nfs/dbraw/zinc/38/73/29/176387329.db2.gz AENNFXABUQRQIR-KOLCDFICSA-N 1 0 246.285 1.730 10 30 BDEERO C[C@@]1(C(=O)Nc2cccc(F)c2C#N)CC[NH2+]C1 ZINC000062891151 176527637 /nfs/dbraw/zinc/52/76/37/176527637.db2.gz STFYCBCPBKNICS-CYBMUJFWSA-N 1 0 247.273 1.635 10 30 BDEERO C[C@H](C[NH3+])Oc1ccc(C#N)cc1Cl ZINC000082641548 176661900 /nfs/dbraw/zinc/66/19/00/176661900.db2.gz GZBGMXXGJFJBLL-SSDOTTSWSA-N 1 0 210.664 1.938 10 30 BDEERO C[C@H](S)c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000083347539 177026454 /nfs/dbraw/zinc/02/64/54/177026454.db2.gz CSBRTKHEGXPAPJ-NKWVEPMBSA-N 1 0 213.306 1.527 10 30 BDEERO C[C@@H]1CCC[C@H](C)[N@H+]1CCC/C(N)=N/O ZINC000019519631 177115669 /nfs/dbraw/zinc/11/56/69/177115669.db2.gz KHZPYQKIQZHQSN-AOOOYVTPSA-N 1 0 213.325 1.776 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000124000184 177276883 /nfs/dbraw/zinc/27/68/83/177276883.db2.gz BYEAYEKBEUJWRZ-FZMZJTMJSA-N 1 0 229.327 1.945 10 30 BDEERO C[C@H]1C[NH2+]CCN1CCOc1ccc(C#N)cc1 ZINC000054372610 177283601 /nfs/dbraw/zinc/28/36/01/177283601.db2.gz HNSSGHJNUZKUHL-LBPRGKRZSA-N 1 0 245.326 1.231 10 30 BDEERO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(/C(N)=N/O)cc1 ZINC000104415240 177342930 /nfs/dbraw/zinc/34/29/30/177342930.db2.gz JTSUNOXLINMPEW-GXFFZTMASA-N 1 0 247.342 1.869 10 30 BDEERO C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000052299604 177347752 /nfs/dbraw/zinc/34/77/52/177347752.db2.gz LMCFHQIIMRLELQ-ZANVPECISA-N 1 0 246.285 1.274 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336736348 177394287 /nfs/dbraw/zinc/39/42/87/177394287.db2.gz ITFNWJBAHBHWAK-NXEZZACHSA-N 1 0 223.320 1.183 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1F ZINC000404053645 229362982 /nfs/dbraw/zinc/36/29/82/229362982.db2.gz GBZJOVUYMREUSL-TZMCWYRMSA-N 1 0 248.301 1.948 10 30 BDEERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000399539758 262838366 /nfs/dbraw/zinc/83/83/66/262838366.db2.gz WBTUPZLWMIFCEL-LBPRGKRZSA-N 1 0 230.315 1.402 10 30 BDEERO C[C@H](C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000111302840 323158525 /nfs/dbraw/zinc/15/85/25/323158525.db2.gz YWNCHMKMGPRFMJ-SECBINFHSA-N 1 0 230.315 1.591 10 30 BDEERO CC#CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000136009434 323180736 /nfs/dbraw/zinc/18/07/36/323180736.db2.gz TZZBPVVKNZEGPX-GFCCVEGCSA-N 1 0 237.347 1.135 10 30 BDEERO C[C@H](CC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113710370 323191359 /nfs/dbraw/zinc/19/13/59/323191359.db2.gz IBUWPXMBPBVNLK-VXGBXAGGSA-N 1 0 207.321 1.459 10 30 BDEERO CN(CCC[NH3+])c1ccc(C#N)cc1[N+](=O)[O-] ZINC000133831079 325322877 /nfs/dbraw/zinc/32/28/77/325322877.db2.gz HFMOEYJKBMSDJQ-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000382574649 487546551 /nfs/dbraw/zinc/54/65/51/487546551.db2.gz BQPPZDWHHOLHPY-NWDGAFQWSA-N 1 0 222.332 1.683 10 30 BDEERO N#Cc1cc(NCC[NH2+]C2CC2)ccn1 ZINC000061812583 491124872 /nfs/dbraw/zinc/12/48/72/491124872.db2.gz GGAAVECSZBPOQO-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000336012735 534456308 /nfs/dbraw/zinc/45/63/08/534456308.db2.gz BFBSJLULHZSCOX-STQMWFEESA-N 1 0 236.359 1.895 10 30 BDEERO C[NH2+][C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000053204710 536366029 /nfs/dbraw/zinc/36/60/29/536366029.db2.gz HWFWVEKLNJDBTG-GFCCVEGCSA-N 1 0 215.300 1.746 10 30 BDEERO N#Cc1ccc(C(=O)N2CCC[NH2+]CC2)s1 ZINC000229018288 526590137 /nfs/dbraw/zinc/59/01/37/526590137.db2.gz PQEOGERSDAGBFK-UHFFFAOYSA-N 1 0 235.312 1.055 10 30 BDEERO CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@H]1C ZINC000262799684 535260522 /nfs/dbraw/zinc/26/05/22/535260522.db2.gz QUSLXAOKYZLCKD-GHMZBOCLSA-N 1 0 239.363 1.255 10 30 BDEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1C[C@@H]1C ZINC000263272641 535265466 /nfs/dbraw/zinc/26/54/66/535265466.db2.gz XGPWUXMUWWIIRU-HBNTYKKESA-N 1 0 211.353 1.994 10 30 BDEERO CC[C@]1(C(C)C)C[C@H]1NC1=[NH+]CCN1C ZINC000263053971 535892397 /nfs/dbraw/zinc/89/23/97/535892397.db2.gz DTKFOTLUVGSGBP-ZYHUDNBSSA-N 1 0 209.337 1.702 10 30 BDEERO COCCNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263258909 536853137 /nfs/dbraw/zinc/85/31/37/536853137.db2.gz LRXFPTGFYADIEH-SNVBAGLBSA-N 1 0 225.336 1.260 10 30 BDEERO C=CCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000393742269 582921856 /nfs/dbraw/zinc/92/18/56/582921856.db2.gz CQDWGUKVEWVXMM-DGCLKSJQSA-N 1 0 224.348 1.799 10 30 BDEERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1C#N ZINC000122818232 589634619 /nfs/dbraw/zinc/63/46/19/589634619.db2.gz OQZKURKYMATQDL-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1[NH3+] ZINC000300082310 592502115 /nfs/dbraw/zinc/50/21/15/592502115.db2.gz CZFMSPGHBJYNCV-LDYMZIIASA-N 1 0 246.270 1.250 10 30 BDEERO C[C@H](C[NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000829321246 592707892 /nfs/dbraw/zinc/70/78/92/592707892.db2.gz YVBUXLFVPDGWNE-RXMQYKEDSA-N 1 0 230.724 1.675 10 30 BDEERO C[C@@H](Nc1cc(C#N)ncn1)[C@H]1CCC[NH2+]C1 ZINC000393888067 631225439 /nfs/dbraw/zinc/22/54/39/631225439.db2.gz VXQNQEMXBJHHKE-ZJUUUORDSA-N 1 0 231.303 1.148 10 30 BDEERO N#Cc1sc(NC[C@@H]2CC[NH2+]C2)nc1Cl ZINC000236076774 632874316 /nfs/dbraw/zinc/87/43/16/632874316.db2.gz SSWGCONDZPEXNA-ZCFIWIBFSA-N 1 0 242.735 1.690 10 30 BDEERO N#CC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000309293023 632897087 /nfs/dbraw/zinc/89/70/87/632897087.db2.gz QSMNTCZGHFVFBK-QWHCGFSZSA-N 1 0 222.332 1.773 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089386990 636906640 /nfs/dbraw/zinc/90/66/40/636906640.db2.gz ZINSLHITUOVJCP-CHWSQXEVSA-N 1 0 236.359 1.952 10 30 BDEERO C=C(Cl)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000167952121 640767855 /nfs/dbraw/zinc/76/78/55/640767855.db2.gz LWDNQCQEBISWGS-MRVPVSSYSA-N 1 0 204.701 1.229 10 30 BDEERO CN(CC[NH3+])c1nc(Cl)c(C#N)s1 ZINC000234283347 642330215 /nfs/dbraw/zinc/33/02/15/642330215.db2.gz KRGZRNIUELAOEK-UHFFFAOYSA-N 1 0 216.697 1.063 10 30 BDEERO C#CCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000069768545 642903802 /nfs/dbraw/zinc/90/38/02/642903802.db2.gz FGTGBBPQYPBQRN-UHFFFAOYSA-N 1 0 213.284 1.756 10 30 BDEERO C#CCC[NH2+]Cc1ccc(Br)cn1 ZINC000069938862 642944726 /nfs/dbraw/zinc/94/47/26/642944726.db2.gz TZVNXMFESBIWDO-UHFFFAOYSA-N 1 0 239.116 1.957 10 30 BDEERO C#CCC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000070245212 643005365 /nfs/dbraw/zinc/00/53/65/643005365.db2.gz NDWKELWKFVKAIL-UHFFFAOYSA-N 1 0 247.294 1.579 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000070884749 643076239 /nfs/dbraw/zinc/07/62/39/643076239.db2.gz ICSJQYCILJBCES-TUAOUCFPSA-N 1 0 208.305 1.429 10 30 BDEERO CCN(c1ccc(C#N)cn1)[C@@H]1CC[NH2+]C1 ZINC000070901511 643082574 /nfs/dbraw/zinc/08/25/74/643082574.db2.gz ABRBCCKUBATLHJ-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO CCN(c1ccnc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000070901138 643082671 /nfs/dbraw/zinc/08/26/71/643082671.db2.gz GNNSPWLSOXUCHG-LBPRGKRZSA-N 1 0 216.288 1.141 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@@H]1C ZINC000072734170 643294776 /nfs/dbraw/zinc/29/47/76/643294776.db2.gz LIBZKKKMVHUEAK-GARJFASQSA-N 1 0 225.336 1.129 10 30 BDEERO C#C[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000186050215 643430168 /nfs/dbraw/zinc/43/01/68/643430168.db2.gz ZJKBRGXGALUGPD-SRVKXCTJSA-N 1 0 237.347 1.036 10 30 BDEERO N#Cc1sc(N2CCC[C@@H]([NH3+])C2)nc1Cl ZINC000236300251 643639046 /nfs/dbraw/zinc/63/90/46/643639046.db2.gz WMTXWOAZDFAIJK-ZCFIWIBFSA-N 1 0 242.735 1.596 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1cccc(C#N)n1 ZINC000081597224 644335801 /nfs/dbraw/zinc/33/58/01/644335801.db2.gz HTFLBHYZPGGAFA-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO CC[NH+]=C(NC[C@](C)(O)CC)N[C@@H]1C[C@H]1C ZINC000246057405 644561740 /nfs/dbraw/zinc/56/17/40/644561740.db2.gz DJABTLZUXJUITB-CKYFFXLPSA-N 1 0 227.352 1.111 10 30 BDEERO C=C(CC)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000095019710 644739112 /nfs/dbraw/zinc/73/91/12/644739112.db2.gz YHLSITFFEBVLFH-WDEREUQCSA-N 1 0 211.305 1.694 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cn2)C[C@H]1[NH3+] ZINC000720749443 712863612 /nfs/dbraw/zinc/86/36/12/712863612.db2.gz VBJCBIVNBQGHBP-SNVBAGLBSA-N 1 0 216.288 1.127 10 30 BDEERO C#CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723620475 711526831 /nfs/dbraw/zinc/52/68/31/711526831.db2.gz GWOBWTIALNTOHC-YNEHKIRRSA-N 1 0 207.317 1.805 10 30 BDEERO Cc1nnc(N2CC[C@@H](CC[NH3+])C2)c(C#N)c1C ZINC000723672171 711533086 /nfs/dbraw/zinc/53/30/86/711533086.db2.gz KCJICWPJJVGVDW-LLVKDONJSA-N 1 0 245.330 1.140 10 30 BDEERO N#Cc1ccc(NCC2CC([NH3+])C2)nc1 ZINC000715113492 711536755 /nfs/dbraw/zinc/53/67/55/711536755.db2.gz GMQUYPKPSCKYOA-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO C[C@@H]1CN(c2cccnc2C#N)C[C@H]1CC[NH3+] ZINC000723893107 711543738 /nfs/dbraw/zinc/54/37/38/711543738.db2.gz XGGQBUPULXUADN-GHMZBOCLSA-N 1 0 230.315 1.374 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000721502283 711572734 /nfs/dbraw/zinc/57/27/34/711572734.db2.gz VHWXDMRCMLWLDJ-CYBMUJFWSA-N 1 0 230.315 1.089 10 30 BDEERO N#Cc1cncc(C[N@H+]2CC[C@H](CCO)C2)c1 ZINC000721540622 711620273 /nfs/dbraw/zinc/62/02/73/711620273.db2.gz MFJKKOGMLUCLEF-LLVKDONJSA-N 1 0 231.299 1.158 10 30 BDEERO N#Cc1ccc(NC[C@H]2CC[C@@H]([NH3+])C2)nc1 ZINC000137390164 711772400 /nfs/dbraw/zinc/77/24/00/711772400.db2.gz FJIBRGAONNUWJP-GXSJLCMTSA-N 1 0 216.288 1.493 10 30 BDEERO C=C(Cl)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702078310 712038019 /nfs/dbraw/zinc/03/80/19/712038019.db2.gz KRIIWHRMYRWKJP-ONGXEEELSA-N 1 0 228.723 1.245 10 30 BDEERO C=C(Cl)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711019521 712274845 /nfs/dbraw/zinc/27/48/45/712274845.db2.gz CKCWOVJSSABPRH-VHSXEESVSA-N 1 0 202.729 1.717 10 30 BDEERO N#Cc1ccc(NCC2CC([NH3+])C2)c(F)c1 ZINC000715085676 712507625 /nfs/dbraw/zinc/50/76/25/712507625.db2.gz KJUHJBGANYCDEE-UHFFFAOYSA-N 1 0 219.263 1.847 10 30 BDEERO N#Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)c(F)c1 ZINC000716768829 712572725 /nfs/dbraw/zinc/57/27/25/712572725.db2.gz FPBNTMIHRZVAFN-UHFFFAOYSA-N 1 0 247.273 1.051 10 30 BDEERO C#CCNC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000380257147 712848682 /nfs/dbraw/zinc/84/86/82/712848682.db2.gz QRBMZFACYYCDJY-VIFPVBQESA-N 1 0 222.313 1.148 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000720824624 712867841 /nfs/dbraw/zinc/86/78/41/712867841.db2.gz GGXFMLJBLOHOCN-GFCCVEGCSA-N 1 0 244.342 1.744 10 30 BDEERO N#Cc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000011153425 717107110 /nfs/dbraw/zinc/10/71/10/717107110.db2.gz ANAQDXBAELBCHB-UHFFFAOYSA-N 1 0 228.319 1.204 10 30 BDEERO CC[C@@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953748 538898698 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PZDQYSCNTXJGGW-UHFFFAOYSA-N 1 0 212.684 1.509 10 30 BDEERO CCc1nc(C#N)cc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000308166227 346712558 /nfs/dbraw/zinc/71/25/58/346712558.db2.gz IMHVRJBKMSVZQP-NSHDSACASA-N 1 0 245.330 1.051 10 30 BDEERO C=CC[NH2+]C[C@H](O)c1ccccc1OC ZINC000032011680 187371838 /nfs/dbraw/zinc/37/18/38/187371838.db2.gz PTDHLHDXNVKLPX-NSHDSACASA-N 1 0 207.273 1.504 10 30 BDEERO C#CC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000309968664 347206421 /nfs/dbraw/zinc/20/64/21/347206421.db2.gz OLOSKECZEPHIQP-RYUDHWBXSA-N 1 0 223.316 1.183 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(C#N)n1 ZINC000092631328 347216219 /nfs/dbraw/zinc/21/62/19/347216219.db2.gz KSBHMEDPKPIWCD-ZDUSSCGKSA-N 1 0 244.342 1.874 10 30 BDEERO Cc1cccc([C@H](C#N)NCC[NH+](C)C)c1 ZINC000019987649 179191591 /nfs/dbraw/zinc/19/15/91/179191591.db2.gz XNOSYSZBHZNFHL-ZDUSSCGKSA-N 1 0 217.316 1.711 10 30 BDEERO CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[C@@H]1C ZINC000080698917 133663778 /nfs/dbraw/zinc/66/37/78/133663778.db2.gz WMGFDTORZMANOJ-VHSXEESVSA-N 1 0 211.353 1.996 10 30 BDEERO Cc1nccn1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000390570138 347395742 /nfs/dbraw/zinc/39/57/42/347395742.db2.gz NAPRPHJUAZCTBL-NEPJUHHUSA-N 1 0 218.304 1.473 10 30 BDEERO Cc1nc(N(C)CCC[NH3+])c(Cl)cc1C#N ZINC000390665135 347420978 /nfs/dbraw/zinc/42/09/78/347420978.db2.gz RFYFAPSGFASJJE-UHFFFAOYSA-N 1 0 238.722 1.700 10 30 BDEERO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000253022578 347878141 /nfs/dbraw/zinc/87/81/41/347878141.db2.gz LDMNTXGNEBCSDA-QJPTWQEYSA-N 1 0 210.321 1.675 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccnc(C#N)c1 ZINC000594693771 348100023 /nfs/dbraw/zinc/10/00/23/348100023.db2.gz UHOCCPRPSGSKSI-UHFFFAOYSA-N 1 0 204.277 1.127 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000594669523 348096155 /nfs/dbraw/zinc/09/61/55/348096155.db2.gz DTJRSZAKDHUXQH-IRCOFANPSA-N 1 0 208.305 1.572 10 30 BDEERO FC(F)(F)[C@H]1CCC[N@H+](C[C@H]2CO2)C1 ZINC000251284408 362854240 /nfs/dbraw/zinc/85/42/40/362854240.db2.gz MZKQYXMZWQMMRJ-YUMQZZPRSA-N 1 0 209.211 1.660 10 30 BDEERO C[C@H](CS)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000251678331 362896921 /nfs/dbraw/zinc/89/69/21/362896921.db2.gz MDXSBBMHXDUKBQ-AEJSXWLSSA-N 1 0 203.351 1.662 10 30 BDEERO C#CCOc1cccc(C[NH2+]C(C)(C)CO)c1 ZINC000045945575 187395870 /nfs/dbraw/zinc/39/58/70/187395870.db2.gz SHHJSKFWTPDEPF-UHFFFAOYSA-N 1 0 233.311 1.559 10 30 BDEERO C=CCCSCCNC(=O)[C@@H]([NH3+])CCC ZINC000595940443 348409615 /nfs/dbraw/zinc/40/96/15/348409615.db2.gz QZABYWCDLLHWBG-JTQLQIEISA-N 1 0 230.377 1.539 10 30 BDEERO Cc1ccsc1[C@@H](C[NH3+])n1cnc(C#N)n1 ZINC000061841999 179553439 /nfs/dbraw/zinc/55/34/39/179553439.db2.gz UDEQKWQMPRRCQF-MRVPVSSYSA-N 1 0 233.300 1.068 10 30 BDEERO C#CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000038812735 348719174 /nfs/dbraw/zinc/71/91/74/348719174.db2.gz KAOIZERGCUSRNR-ZDUSSCGKSA-N 1 0 215.296 1.775 10 30 BDEERO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000597198793 348674655 /nfs/dbraw/zinc/67/46/55/348674655.db2.gz 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/nfs/dbraw/zinc/25/28/14/353252814.db2.gz CYBHDAHJBZJQOD-ZDUSSCGKSA-N 1 0 229.327 1.839 10 30 BDEERO CC(C)(CO)[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054825064 188178617 /nfs/dbraw/zinc/17/86/17/188178617.db2.gz LFRBAEJEEYBUIP-QWRGUYRKSA-N 1 0 210.321 1.819 10 30 BDEERO CC1(C)C[C@H]1[NH2+]Cc1cccnc1C#N ZINC000061658648 188184171 /nfs/dbraw/zinc/18/41/71/188184171.db2.gz GKLVVXHENXQPIL-LLVKDONJSA-N 1 0 201.273 1.841 10 30 BDEERO C=C(Cl)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565132 188218757 /nfs/dbraw/zinc/21/87/57/188218757.db2.gz MJEVFGSKUBXMMB-GHMZBOCLSA-N 1 0 214.740 1.955 10 30 BDEERO CC#CCOc1ccc(C[NH2+]CCOC)cc1 ZINC000062729137 188223974 /nfs/dbraw/zinc/22/39/74/188223974.db2.gz NYMDQNDUGQXIAG-UHFFFAOYSA-N 1 0 233.311 1.825 10 30 BDEERO C=C(C)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190759321 353411893 /nfs/dbraw/zinc/41/18/93/353411893.db2.gz CTNLJQBCQAHZGI-CYBMUJFWSA-N 1 0 235.331 1.852 10 30 BDEERO CC#CCCN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190741257 353411939 /nfs/dbraw/zinc/41/19/39/353411939.db2.gz YIYLQZQTRGUDKY-AWEZNQCLSA-N 1 0 247.342 1.690 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002685 353581965 /nfs/dbraw/zinc/58/19/65/353581965.db2.gz XGMCIQYJZZWQHF-WCQYABFASA-N 1 0 248.326 1.000 10 30 BDEERO N#CCCN(C(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000038099448 181037286 /nfs/dbraw/zinc/03/72/86/181037286.db2.gz CNPBQFLTALOKGA-UHFFFAOYSA-N 1 0 243.310 1.664 10 30 BDEERO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037824409 181037587 /nfs/dbraw/zinc/03/75/87/181037587.db2.gz PMOJIZPTNQYCTE-LBPRGKRZSA-N 1 0 247.298 1.274 10 30 BDEERO N#CCN(CC#N)[C@H](C[NH3+])c1ccccc1Cl ZINC000043051108 181040329 /nfs/dbraw/zinc/04/03/29/181040329.db2.gz QOQQXKFJJGXTFT-GFCCVEGCSA-N 1 0 248.717 1.689 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1(CO)CCCC1 ZINC000054829836 181059015 /nfs/dbraw/zinc/05/90/15/181059015.db2.gz VIMWZNLEPBOGQE-NWDGAFQWSA-N 1 0 222.332 1.963 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000036158264 181075393 /nfs/dbraw/zinc/07/53/93/181075393.db2.gz YZLUEXBZRRBQJQ-SECBINFHSA-N 1 0 247.273 1.635 10 30 BDEERO N#Cc1c(CN2CC[C@@H]([NH3+])C2)cn2ccccc12 ZINC000050243093 181073057 /nfs/dbraw/zinc/07/30/57/181073057.db2.gz VVJNJNWCFOEKEN-GFCCVEGCSA-N 1 0 240.310 1.344 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1(CO)CCCC1 ZINC000054829841 181068447 /nfs/dbraw/zinc/06/84/47/181068447.db2.gz VIMWZNLEPBOGQE-VXGBXAGGSA-N 1 0 222.332 1.963 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1(CO)CCCCC1 ZINC000054829885 181068850 /nfs/dbraw/zinc/06/88/50/181068850.db2.gz WESSLFJESXYRLH-NEPJUHHUSA-N 1 0 222.332 1.963 10 30 BDEERO N#Cc1cc(NC(=O)CC[NH3+])ccc1Cl ZINC000037018688 181090552 /nfs/dbraw/zinc/09/05/52/181090552.db2.gz XCVKVUFZNLPXTI-UHFFFAOYSA-N 1 0 223.663 1.499 10 30 BDEERO N#Cc1ccc([C@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019387598 181130196 /nfs/dbraw/zinc/13/01/96/181130196.db2.gz RTWZMEKOGBCKEM-ZDUSSCGKSA-N 1 0 226.283 1.028 10 30 BDEERO N#Cc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019946411 181138137 /nfs/dbraw/zinc/13/81/37/181138137.db2.gz SHAXJGFXPNOFNV-OAHLLOKOSA-N 1 0 241.338 1.742 10 30 BDEERO N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089162380 181138485 /nfs/dbraw/zinc/13/84/85/181138485.db2.gz OKVVMLRIYIYIDQ-ZIAGYGMSSA-N 1 0 230.311 1.809 10 30 BDEERO N#Cc1cccc2c1[C@@H](O)[C@H]([NH3+])CCC2 ZINC000019795540 181144275 /nfs/dbraw/zinc/14/42/75/181144275.db2.gz RRXPVOTVQBERML-PWSUYJOCSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1COC[C@@H]1CCC[NH2+]1 ZINC000051816400 181147210 /nfs/dbraw/zinc/14/72/10/181147210.db2.gz QVHNJNPVCXQFSX-ZDUSSCGKSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccccc1C[C@H]1COCC[C@H]1[NH3+] ZINC000095077462 181147213 /nfs/dbraw/zinc/14/72/13/181147213.db2.gz QWCMAAQXPJPLSA-QWHCGFSZSA-N 1 0 216.284 1.465 10 30 BDEERO N#Cc1ccnc(SC[C@@H]2CC[NH2+]C2)c1 ZINC000095072097 181157930 /nfs/dbraw/zinc/15/79/30/181157930.db2.gz RCUJSQQQJRWRLK-SNVBAGLBSA-N 1 0 219.313 1.655 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000020033691 166399649 /nfs/dbraw/zinc/39/96/49/166399649.db2.gz BDGCXBKSIVETMV-UHFFFAOYSA-N 1 0 208.236 1.540 10 30 BDEERO CC1(C#N)CC[NH+](CC2(O)CCC2)CC1 ZINC000335313312 535275401 /nfs/dbraw/zinc/27/54/01/535275401.db2.gz JIXGNGVIUKPCKC-UHFFFAOYSA-N 1 0 208.305 1.527 10 30 BDEERO N#Cc1cc(N2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000420230728 192180591 /nfs/dbraw/zinc/18/05/91/192180591.db2.gz YEYUSRDFJXROKV-UHFFFAOYSA-N 1 0 242.326 1.533 10 30 BDEERO N#Cc1nccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000054378568 181174778 /nfs/dbraw/zinc/17/47/78/181174778.db2.gz UBMIKYBWGNPBAY-DTWKUNHWSA-N 1 0 217.276 1.030 10 30 BDEERO N/C(=N\O)c1cccc(C[NH+]2CCCC2)c1 ZINC000019423552 181181214 /nfs/dbraw/zinc/18/12/14/181181214.db2.gz XBTCBPZGARWGHF-UHFFFAOYSA-N 1 0 219.288 1.377 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[NH2+]C[C@@H]1CC ZINC000168392562 355768188 /nfs/dbraw/zinc/76/81/88/355768188.db2.gz IEZTYRJONJUCSA-ZJUUUORDSA-N 1 0 247.180 1.967 10 30 BDEERO C=CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106454432 355776741 /nfs/dbraw/zinc/77/67/41/355776741.db2.gz NEIQQYVSCRHUMY-CYBMUJFWSA-N 1 0 232.327 1.462 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccncc2C#N)C1 ZINC000399382770 356484761 /nfs/dbraw/zinc/48/47/61/356484761.db2.gz ORUKMKHOZBIZSP-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1[NH+](C)C ZINC000399362817 356470759 /nfs/dbraw/zinc/47/07/59/356470759.db2.gz IBKOADSKRFIDGM-ZWNOBZJWSA-N 1 0 230.315 1.340 10 30 BDEERO CC#CCC[C@@H]([NH3+])[C@@H]1CSCCS1 ZINC000161230757 363502187 /nfs/dbraw/zinc/50/21/87/363502187.db2.gz KOXNECRIFWETLL-ZJUUUORDSA-N 1 0 215.387 1.966 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1[NH3+] ZINC000129910909 357035978 /nfs/dbraw/zinc/03/59/78/357035978.db2.gz FLYNAVLBWRTBDV-MFKMUULPSA-N 1 0 230.315 1.517 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300032725 357174039 /nfs/dbraw/zinc/17/40/39/357174039.db2.gz VVQJHPJQGFESRA-XKNYDFJKSA-N 1 0 215.387 1.833 10 30 BDEERO N#Cc1ncccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582895534 357423842 /nfs/dbraw/zinc/42/38/42/357423842.db2.gz AOUSHRGDXYZNJB-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO C=CCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000231447932 357614354 /nfs/dbraw/zinc/61/43/54/357614354.db2.gz BGIQOBDGUNXUAM-NSHDSACASA-N 1 0 222.332 1.696 10 30 BDEERO CCC(C)(C)[NH2+]Cc1cnc(C#N)n1C ZINC000685948381 538891338 /nfs/dbraw/zinc/89/13/38/538891338.db2.gz LEWPXTNNJZUAOC-UHFFFAOYSA-N 1 0 206.293 1.570 10 30 BDEERO CONC(=C([N+]#N)C(=O)C(C)C)C(C)(C)C ZINC000584611964 358275761 /nfs/dbraw/zinc/27/57/61/358275761.db2.gz SQYYPYASVVJQLV-GXDHUFHOSA-N 1 0 225.292 1.931 10 30 BDEERO CONC(C)=C([N+]#N)C(=O)OCc1ccccc1 ZINC000584611559 358275844 /nfs/dbraw/zinc/27/58/44/358275844.db2.gz LLBWOUYFKCTOBS-DHDCSXOGSA-N 1 0 247.254 1.423 10 30 BDEERO C[C@H]1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000230063650 358391740 /nfs/dbraw/zinc/39/17/40/358391740.db2.gz ORJYEKWVGLPOLG-NWDGAFQWSA-N 1 0 249.358 1.527 10 30 BDEERO C[C@H]1OCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000134541713 358794248 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CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249950347 384530044 /nfs/dbraw/zinc/53/00/44/384530044.db2.gz VBVJCIGZRMUUNW-AXFHLTTASA-N 1 0 225.336 1.114 10 30 BDEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)C[N+]#N ZINC000100077670 384614935 /nfs/dbraw/zinc/61/49/35/384614935.db2.gz DSGFBJBZZKQYAM-MRVPVSSYSA-N 1 0 240.283 1.808 10 30 BDEERO Cc1ccnc(N2CCC[C@H](C)[C@H]2C[NH3+])c1C#N ZINC000227397781 385136522 /nfs/dbraw/zinc/13/65/22/385136522.db2.gz WBWNSESANPOXQU-WCQYABFASA-N 1 0 244.342 1.825 10 30 BDEERO CC1CC(C#N)(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000125799987 385089955 /nfs/dbraw/zinc/08/99/55/385089955.db2.gz SUVXOZICNXGPIT-MBHSVXNSSA-N 1 0 249.358 1.336 10 30 BDEERO C#CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107799443 385214037 /nfs/dbraw/zinc/21/40/37/385214037.db2.gz ZFSFUWNSBAYYPZ-ZDUSSCGKSA-N 1 0 206.333 1.570 10 30 BDEERO N#Cc1ncccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000130072778 385215449 /nfs/dbraw/zinc/21/54/49/385215449.db2.gz IMJXYOGKXDNHHY-GFCCVEGCSA-N 1 0 242.326 1.628 10 30 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BDEERO C[C@H]1C[NH2+]C[C@H](C)N1c1ccc(C#N)cc1 ZINC000211941186 387009841 /nfs/dbraw/zinc/00/98/41/387009841.db2.gz DIXQDTBBUNYSCN-QWRGUYRKSA-N 1 0 215.300 1.745 10 30 BDEERO CCNC(=[NH+]N)[C@H]1CCCSCC1 ZINC000575467601 387076277 /nfs/dbraw/zinc/07/62/77/387076277.db2.gz SNPVTIASMJKCRK-QMMMGPOBSA-N 1 0 201.339 1.401 10 30 BDEERO C[NH2+]CCC#Cc1ccc(Br)cn1 ZINC000575523414 387455508 /nfs/dbraw/zinc/45/55/08/387455508.db2.gz SBDMYUWEJLKSHO-UHFFFAOYSA-N 1 0 239.116 1.805 10 30 BDEERO CO[C@@H]1CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000584599243 387501527 /nfs/dbraw/zinc/50/15/27/387501527.db2.gz ZYMQGXCPVOYSLS-CHWSQXEVSA-N 1 0 216.284 1.998 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CC[C@H]1O ZINC000575539079 387583281 /nfs/dbraw/zinc/58/32/81/387583281.db2.gz WEHMKTYQSQHHKQ-RNFRBKRXSA-N 1 0 206.083 1.008 10 30 BDEERO CCc1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000038012760 387569728 /nfs/dbraw/zinc/56/97/28/387569728.db2.gz RFVTWSBMUHSDRR-NSHDSACASA-N 1 0 245.326 1.539 10 30 BDEERO C#C[C@@H]([NH2+]Cc1c(C)nn(C)c1OC)C(C)C ZINC000289330845 387579614 /nfs/dbraw/zinc/57/96/14/387579614.db2.gz GTOHHYLNTQKMEA-GFCCVEGCSA-N 1 0 235.331 1.485 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C#N)CCC1 ZINC000083798489 388063842 /nfs/dbraw/zinc/06/38/42/388063842.db2.gz QGUDIUAXXCJCOD-NWDGAFQWSA-N 1 0 247.342 1.375 10 30 BDEERO C[N+](C)(C)CC(=O)c1ccc2c(c1)OCCO2 ZINC000004280442 388398638 /nfs/dbraw/zinc/39/86/38/388398638.db2.gz BISRFVBXZRSTOU-UHFFFAOYSA-N 1 0 236.291 1.347 10 30 BDEERO CC[C@H]([NH3+])C(=O)Nc1sccc1C#N ZINC000040852035 388427120 /nfs/dbraw/zinc/42/71/20/388427120.db2.gz VBEJACALCWJBMD-ZETCQYMHSA-N 1 0 209.274 1.296 10 30 BDEERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000310529461 388669489 /nfs/dbraw/zinc/66/94/89/388669489.db2.gz POXKICNPORSQHA-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000250230730 388640471 /nfs/dbraw/zinc/64/04/71/388640471.db2.gz AQOCRAHWRWIYDA-ZDUSSCGKSA-N 1 0 228.299 1.238 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C#N)cn1 ZINC000252675116 388658344 /nfs/dbraw/zinc/65/83/44/388658344.db2.gz WYQQDDHUZBJVIC-AAEUAGOBSA-N 1 0 242.326 1.626 10 30 BDEERO CN(C[C@H]1CCC[NH2+]C1)c1ncccc1C#N ZINC000095071091 388758204 /nfs/dbraw/zinc/75/82/04/388758204.db2.gz FDDSXMDFJVGWFC-NSHDSACASA-N 1 0 230.315 1.389 10 30 BDEERO N#Cc1ccnc(S[C@H]2CCC[NH2+]C2)c1 ZINC000095072090 388758428 /nfs/dbraw/zinc/75/84/28/388758428.db2.gz VJNHBQLYTSDXTR-JTQLQIEISA-N 1 0 219.313 1.797 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000293023123 135376788 /nfs/dbraw/zinc/37/67/88/135376788.db2.gz PCPWFNFSBQTINR-JTQLQIEISA-N 1 0 210.321 1.455 10 30 BDEERO Cc1ccnc(N[C@@H](C)C[C@@H](C)[NH3+])c1C#N ZINC000320489334 322822063 /nfs/dbraw/zinc/82/20/63/322822063.db2.gz HZOOVCDCDSYRAQ-ZJUUUORDSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000034575207 132336814 /nfs/dbraw/zinc/33/68/14/132336814.db2.gz QYXHWAOAYUDWFV-ZJUUUORDSA-N 1 0 233.290 1.884 10 30 BDEERO C[NH+](C)C1CCN(c2ncc(N)cc2C#N)CC1 ZINC000037759165 132345475 /nfs/dbraw/zinc/34/54/75/132345475.db2.gz FYLFXBUHBBBNQX-UHFFFAOYSA-N 1 0 245.330 1.066 10 30 BDEERO C[C@H](CC#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220555908 134309512 /nfs/dbraw/zinc/30/95/12/134309512.db2.gz YXPLVAGITACJHG-CHWSQXEVSA-N 1 0 221.348 1.849 10 30 BDEERO C=CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000180490743 134328768 /nfs/dbraw/zinc/32/87/68/134328768.db2.gz MXWCUKNPVCHKIW-KGLIPLIRSA-N 1 0 238.375 1.651 10 30 BDEERO CN(C)C(=[NH+][C@@H]1C[C@@H]2OCCC[C@H]12)N(C)C ZINC000190092258 134555895 /nfs/dbraw/zinc/55/58/95/134555895.db2.gz NEHGNERROBXQOK-MXWKQRLJSA-N 1 0 225.336 1.033 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cccnc1C#N ZINC000131093254 134626412 /nfs/dbraw/zinc/62/64/12/134626412.db2.gz OLCRCBIUTIQYMI-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO C#CCSCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000132878418 134668605 /nfs/dbraw/zinc/66/86/05/134668605.db2.gz JHUGKKGVPXTTCW-UTUOFQBUSA-N 1 0 239.384 1.756 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)cn1 ZINC000133645745 134686004 /nfs/dbraw/zinc/68/60/04/134686004.db2.gz BSMAWAZJDZKIHS-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000336735729 134918715 /nfs/dbraw/zinc/91/87/15/134918715.db2.gz LYXBBXNCOQPCMC-NEPJUHHUSA-N 1 0 218.304 1.473 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000248874562 135023898 /nfs/dbraw/zinc/02/38/98/135023898.db2.gz IXWDEEAVSUVUTF-GRYCIOLGSA-N 1 0 245.330 1.265 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251748411 135076432 /nfs/dbraw/zinc/07/64/32/135076432.db2.gz QQJVDQXRXDLLLC-GRYCIOLGSA-N 1 0 218.304 1.553 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cc(C#N)ccn1 ZINC000087780112 135168199 /nfs/dbraw/zinc/16/81/99/135168199.db2.gz SYBROTWYDWHADJ-LLVKDONJSA-N 1 0 218.304 1.883 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cccc(C#N)n1 ZINC000087780170 135168629 /nfs/dbraw/zinc/16/86/29/135168629.db2.gz FJHRHACNXDYIIO-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO C[C@@H]1CCN(c2ncccc2C#N)[C@H](C[NH3+])C1 ZINC000261542567 135182975 /nfs/dbraw/zinc/18/29/75/135182975.db2.gz PLZINLUFKZANAO-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H]1[C@H]([NH3+])CCN1c1nccc(C#N)c1Cl ZINC000261582800 135223657 /nfs/dbraw/zinc/22/36/57/135223657.db2.gz OSAKDGAWZAQUBX-VXNVDRBHSA-N 1 0 236.706 1.533 10 30 BDEERO Cc1cnc(CCNC(=[NH2+])NCC2CCC2)nc1 ZINC000261653323 135242762 /nfs/dbraw/zinc/24/27/62/135242762.db2.gz BOWBXTPAYIAGKN-UHFFFAOYSA-N 1 0 247.346 1.032 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@H]1CCO[C@@H]1C(C)C ZINC000261712255 135247836 /nfs/dbraw/zinc/24/78/36/135247836.db2.gz VMOLHAYINKFPNF-VXGBXAGGSA-N 1 0 241.379 1.608 10 30 BDEERO Cc1cc(C[NH+]=C(N(C)C)N(C)C)nc(C)n1 ZINC000261772853 135251823 /nfs/dbraw/zinc/25/18/23/135251823.db2.gz MWUTWSCDAWDNLQ-UHFFFAOYSA-N 1 0 235.335 1.073 10 30 BDEERO COc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000261991570 135269596 /nfs/dbraw/zinc/26/95/96/135269596.db2.gz MGBXCOMUMVZKEP-GZMMTYOYSA-N 1 0 219.288 1.830 10 30 BDEERO C[C@@H]1C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[C@H](C)O1 ZINC000262155496 135282137 /nfs/dbraw/zinc/28/21/37/135282137.db2.gz NMKDLQWQRSLCGQ-JGPRNRPPSA-N 1 0 241.379 1.893 10 30 BDEERO Cc1cccnc1C(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000262289836 135290418 /nfs/dbraw/zinc/29/04/18/135290418.db2.gz LARISKXPSNOFOK-LLVKDONJSA-N 1 0 246.358 1.605 10 30 BDEERO CC(C)CNC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262431473 135297155 /nfs/dbraw/zinc/29/71/55/135297155.db2.gz FGHLSYBDCPRSGW-UHFFFAOYSA-N 1 0 219.279 1.592 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000262386467 135298769 /nfs/dbraw/zinc/29/87/69/135298769.db2.gz HUQIDVFVJBYDRJ-NXEZZACHSA-N 1 0 227.377 1.539 10 30 BDEERO [NH2+]=C(NCC1(C(F)F)CC1)NC1CCC1 ZINC000263081949 135331464 /nfs/dbraw/zinc/33/14/64/135331464.db2.gz HUXIOVAGAMETAM-UHFFFAOYSA-N 1 0 217.263 1.489 10 30 BDEERO C[C@@H](CNC(=[NH2+])N1CCC1)C(F)(F)F ZINC000263144488 135335864 /nfs/dbraw/zinc/33/58/64/135335864.db2.gz OPBMJNSMEBCGOP-LURJTMIESA-N 1 0 209.215 1.205 10 30 BDEERO [NH2+]=C(NC[C@@H]1CC12CC2)N1CCCCCC1 ZINC000263182215 135338152 /nfs/dbraw/zinc/33/81/52/135338152.db2.gz UJGMRBLRJQSSNN-NSHDSACASA-N 1 0 221.348 1.977 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cnccc1C#N ZINC000336644151 397948511 /nfs/dbraw/zinc/94/85/11/397948511.db2.gz BWFVZCBPGOUUEI-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N1CCCSCC1 ZINC000053498308 166187005 /nfs/dbraw/zinc/18/70/05/166187005.db2.gz DXNKYIRHUIIQCB-LLVKDONJSA-N 1 0 212.362 1.037 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084715 166190699 /nfs/dbraw/zinc/19/06/99/166190699.db2.gz ZTPWZRXKZYZHNV-QMMMGPOBSA-N 1 0 215.256 1.140 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084713 166192396 /nfs/dbraw/zinc/19/23/96/166192396.db2.gz ZTPWZRXKZYZHNV-MRVPVSSYSA-N 1 0 215.256 1.140 10 30 BDEERO C#CCOc1cc2c(cc1C[NH2+]CC)OCO2 ZINC000042874519 166197764 /nfs/dbraw/zinc/19/77/64/166197764.db2.gz AGORWKYFAJCWOG-UHFFFAOYSA-N 1 0 233.267 1.537 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NC[C@@H](CC)CCCC ZINC000083353602 166206465 /nfs/dbraw/zinc/20/64/65/166206465.db2.gz FRCCSXIUUHMMFC-RYUDHWBXSA-N 1 0 224.348 1.670 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000062852896 166222301 /nfs/dbraw/zinc/22/23/01/166222301.db2.gz KHVVSBCHTAANCL-HNNXBMFYSA-N 1 0 242.322 1.996 10 30 BDEERO C(#Cc1cccs1)CN1CC[NH2+]CC1 ZINC000040238007 166226163 /nfs/dbraw/zinc/22/61/63/166226163.db2.gz JHKXIQYQIJZDSV-UHFFFAOYSA-N 1 0 206.314 1.005 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336773088 166301270 /nfs/dbraw/zinc/30/12/70/166301270.db2.gz YQNHBSBUYUXCJX-DCAQKATOSA-N 1 0 210.321 1.598 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000037817628 166311488 /nfs/dbraw/zinc/31/14/88/166311488.db2.gz MSJNZNRPIZJXSB-LBPRGKRZSA-N 1 0 222.332 1.696 10 30 BDEERO C=CCN(CC[NH3+])Cc1ccc(F)cc1 ZINC000032012034 166341843 /nfs/dbraw/zinc/34/18/43/166341843.db2.gz MNXZRYSXAUAWRH-UHFFFAOYSA-N 1 0 208.280 1.772 10 30 BDEERO C=CCN(Cc1ccco1)C(=O)CC[NH3+] ZINC000032011965 166347576 /nfs/dbraw/zinc/34/75/76/166347576.db2.gz MVEJKOXNVCHRNB-UHFFFAOYSA-N 1 0 208.261 1.143 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000076611873 166373043 /nfs/dbraw/zinc/37/30/43/166373043.db2.gz FYVHSNYKMBCBSN-LBPRGKRZSA-N 1 0 224.348 1.834 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076618882 166385607 /nfs/dbraw/zinc/38/56/07/166385607.db2.gz FVBPBUQHZIEZRL-LBPRGKRZSA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000035180609 166389269 /nfs/dbraw/zinc/38/92/69/166389269.db2.gz JYVILIIJQQZTAC-SMDDNHRTSA-N 1 0 244.338 1.954 10 30 BDEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000095081771 166398539 /nfs/dbraw/zinc/39/85/39/166398539.db2.gz SDNADQIIPUCYAP-JTQLQIEISA-N 1 0 236.290 1.779 10 30 BDEERO C=CC[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000095081767 166398822 /nfs/dbraw/zinc/39/88/22/166398822.db2.gz UCXQOZBYORACHJ-LLVKDONJSA-N 1 0 230.311 1.740 10 30 BDEERO C=CC[NH2+]CCC(=O)c1ccc2c(c1)OCO2 ZINC000049822717 166398915 /nfs/dbraw/zinc/39/89/15/166398915.db2.gz JYPPITYYCRWJHS-UHFFFAOYSA-N 1 0 233.267 1.764 10 30 BDEERO C=CC[NH2+]CC[C@@H](O)c1cccc(N)c1 ZINC000098123876 166399520 /nfs/dbraw/zinc/39/95/20/166399520.db2.gz QVNGJMOPVDLJLD-GFCCVEGCSA-N 1 0 206.289 1.468 10 30 BDEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC000301948043 167030207 /nfs/dbraw/zinc/03/02/07/167030207.db2.gz HTJHJQODSWXIHV-ZYHUDNBSSA-N 1 0 245.330 1.489 10 30 BDEERO C=CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H](C)COC ZINC000659340239 411367784 /nfs/dbraw/zinc/36/77/84/411367784.db2.gz ROUBDBDPRDRTQJ-QJPTWQEYSA-N 1 0 240.347 1.163 10 30 BDEERO C[C@H](C#N)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118454 168156398 /nfs/dbraw/zinc/15/63/98/168156398.db2.gz ICWJYAVACZWVNM-MOENNCHZSA-N 1 0 210.321 1.677 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@H](C)COC ZINC000659339029 411398304 /nfs/dbraw/zinc/39/83/04/411398304.db2.gz CDIOOJBGDUWQPS-NEPJUHHUSA-N 1 0 240.347 1.036 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659359187 411401983 /nfs/dbraw/zinc/40/19/83/411401983.db2.gz PSVSBJWIRSHCDO-RYUDHWBXSA-N 1 0 240.347 1.213 10 30 BDEERO CCNC(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000051758634 170052683 /nfs/dbraw/zinc/05/26/83/170052683.db2.gz BDZJOHZTHBAVMD-UHFFFAOYSA-N 1 0 231.299 1.174 10 30 BDEERO CCOC(=O)Nc1cc(C#CC[NH3+])ccc1OC ZINC000049587472 170243141 /nfs/dbraw/zinc/24/31/41/170243141.db2.gz XDBXRXLDDFOCPC-UHFFFAOYSA-N 1 0 248.282 1.574 10 30 BDEERO C=CCOCCC[NH2+]Cc1cnn(C)c1C ZINC000657657916 411571838 /nfs/dbraw/zinc/57/18/38/411571838.db2.gz GDAJJUWJPBCVTO-UHFFFAOYSA-N 1 0 223.320 1.411 10 30 BDEERO CCOC1CC[NH+](CCCC/C(N)=N\O)CC1 ZINC000049580232 170332144 /nfs/dbraw/zinc/33/21/44/170332144.db2.gz MZJGPRNYWQHDDC-UHFFFAOYSA-N 1 0 243.351 1.404 10 30 BDEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@]1(C=O)CCOC1 ZINC000051179394 171113606 /nfs/dbraw/zinc/11/36/06/171113606.db2.gz VPWJXIVKMYVTAA-UPJWGTAASA-N 1 0 241.331 1.091 10 30 BDEERO CC[C@H](C)[NH2+]CC(=O)N(C)c1cccc(C#N)c1 ZINC000061981044 171339347 /nfs/dbraw/zinc/33/93/47/171339347.db2.gz GUXTUQIBLWMMEH-NSHDSACASA-N 1 0 245.326 1.909 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000662631859 412250287 /nfs/dbraw/zinc/25/02/87/412250287.db2.gz ZFKBRZMGEOZOPW-FRRDWIJNSA-N 1 0 236.359 1.657 10 30 BDEERO CC[C@H]1CO[C@@H](c2ccc(C#N)cc2)C[NH2+]1 ZINC000036672723 171673644 /nfs/dbraw/zinc/67/36/44/171673644.db2.gz CFKKNKPLQUMDJB-QWHCGFSZSA-N 1 0 216.284 1.998 10 30 BDEERO C=CCC1(NC(=O)[C@H]2CC[NH2+]C2)CCCC1 ZINC000662888855 412335865 /nfs/dbraw/zinc/33/58/65/412335865.db2.gz OBNKCSSBCYQQHP-NSHDSACASA-N 1 0 222.332 1.601 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]([NH3+])CCC ZINC000662952061 412351930 /nfs/dbraw/zinc/35/19/30/412351930.db2.gz CBMZJAXEJWKZDW-SNVBAGLBSA-N 1 0 212.337 1.975 10 30 BDEERO CC[C@]1(C(=O)N(CCC#N)C(C)C)CC[NH2+]C1 ZINC000062891068 171710600 /nfs/dbraw/zinc/71/06/00/171710600.db2.gz HUPPWPOEAKMHRX-ZDUSSCGKSA-N 1 0 237.347 1.527 10 30 BDEERO CN(C(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062905005 172331939 /nfs/dbraw/zinc/33/19/39/172331939.db2.gz RHKQAQHMEFMVBK-AWEZNQCLSA-N 1 0 243.310 1.521 10 30 BDEERO C[NH+](C)CCCC(=O)Nc1cccc(C#N)c1 ZINC000019846965 172427059 /nfs/dbraw/zinc/42/70/59/172427059.db2.gz VHTBUIGJURGDMH-UHFFFAOYSA-N 1 0 231.299 1.839 10 30 BDEERO CN(CCC[NH+](C)C)c1ccccc1C#N ZINC000104348006 172430075 /nfs/dbraw/zinc/43/00/75/172430075.db2.gz VRBLWZMUIGTGAS-UHFFFAOYSA-N 1 0 217.316 1.946 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2cc(C#N)ccn2)C1 ZINC000071130148 172540641 /nfs/dbraw/zinc/54/06/41/172540641.db2.gz HRZQYMCEJKMDNE-NSHDSACASA-N 1 0 216.288 1.094 10 30 BDEERO CN(CCC#N)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400237 172662902 /nfs/dbraw/zinc/66/29/02/172662902.db2.gz NFRAAMBQTWJEFO-ZDUSSCGKSA-N 1 0 245.326 1.839 10 30 BDEERO C[N@H+](CCOc1ccc(C#CCO)cc1)C1CC1 ZINC000049617398 172771596 /nfs/dbraw/zinc/77/15/96/172771596.db2.gz BTXZCNKZVFMFSR-UHFFFAOYSA-N 1 0 245.322 1.503 10 30 BDEERO CN(c1ccc(N)cc1C#N)[C@H]1CCC[N@H+](C)C1 ZINC000053205848 173044919 /nfs/dbraw/zinc/04/49/19/173044919.db2.gz LVVAFYDHJVTELX-ZDUSSCGKSA-N 1 0 244.342 1.671 10 30 BDEERO C[N@@H+]1CCC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000040673553 173046975 /nfs/dbraw/zinc/04/69/75/173046975.db2.gz PHVGWTICQOLSBA-NSHDSACASA-N 1 0 216.288 1.459 10 30 BDEERO CNC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054828132 173260046 /nfs/dbraw/zinc/26/00/46/173260046.db2.gz FAVXNDWHGLPBND-MNOVXSKESA-N 1 0 223.320 1.185 10 30 BDEERO C[NH2+]C[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000071143853 173381066 /nfs/dbraw/zinc/38/10/66/173381066.db2.gz FYGLDTZKFGIWLX-CQSZACIVSA-N 1 0 242.322 1.106 10 30 BDEERO COCCNC(CCc1cccc(C)c1)=[NH+]N ZINC000053293233 174303304 /nfs/dbraw/zinc/30/33/04/174303304.db2.gz OPPSRBRFDKPPKK-UHFFFAOYSA-N 1 0 235.331 1.436 10 30 BDEERO COc1ccc(C(N)=[NH+]N)cc1Br ZINC000042013707 175046601 /nfs/dbraw/zinc/04/66/01/175046601.db2.gz FLBUVZDTHVXGRO-UHFFFAOYSA-N 1 0 244.092 1.037 10 30 BDEERO COc1ccc(C#N)c(OCCC[NH+](C)C)c1 ZINC000011960111 175051493 /nfs/dbraw/zinc/05/14/93/175051493.db2.gz AEBFVDVHWXMVGQ-UHFFFAOYSA-N 1 0 234.299 1.897 10 30 BDEERO COc1ccc(CCC(C)N=NC(N)=[NH2+])cc1 ZINC000094420345 175088100 /nfs/dbraw/zinc/08/81/00/175088100.db2.gz JWJCYOLXSRBLKK-OQLLNIDSSA-N 1 0 234.303 1.487 10 30 BDEERO COc1cccc([C@@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019277368 175285783 /nfs/dbraw/zinc/28/57/83/175285783.db2.gz ZIFWTRPSIDOUQU-CYBMUJFWSA-N 1 0 231.299 1.165 10 30 BDEERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CCC#N ZINC000043096990 175348333 /nfs/dbraw/zinc/34/83/33/175348333.db2.gz ODRZCZFEMBBZFN-SMDDNHRTSA-N 1 0 247.342 1.929 10 30 BDEERO COc1ccccc1[C@H](C[NH3+])N(C)CCC#N ZINC000043096982 175352985 /nfs/dbraw/zinc/35/29/85/175352985.db2.gz UILDWROXBFQFQR-LBPRGKRZSA-N 1 0 233.315 1.540 10 30 BDEERO C[C@@H](C#N)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037823280 175595513 /nfs/dbraw/zinc/59/55/13/175595513.db2.gz WDFWVVGADZQFNY-JTQLQIEISA-N 1 0 231.299 1.377 10 30 BDEERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(CC#N)CC#N ZINC000042971065 175810901 /nfs/dbraw/zinc/81/09/01/175810901.db2.gz MWFGEKBWIUPMHU-MFKMUULPSA-N 1 0 246.289 1.563 10 30 BDEERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NCCC#N ZINC000042862881 176076977 /nfs/dbraw/zinc/07/69/77/176076977.db2.gz AZQPJODJHICYKA-VXGBXAGGSA-N 1 0 237.347 1.432 10 30 BDEERO C[C@@H]1CCC[C@@](C#N)(NCC[NH+](C)C)C1 ZINC000037940692 176132514 /nfs/dbraw/zinc/13/25/14/176132514.db2.gz PJNXOUVSMWZYSL-VXGBXAGGSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@@H]1C[N@H+](CC[C@](C)(N)C#N)CC(C)(C)O1 ZINC000045708747 176294170 /nfs/dbraw/zinc/29/41/70/176294170.db2.gz YVAJEKORTJBKKQ-PWSUYJOCSA-N 1 0 225.336 1.117 10 30 BDEERO C[C@@H]1C[N@H+](C[C@]2(C=O)CCCOC2)[C@H](C)CO1 ZINC000104317359 176301668 /nfs/dbraw/zinc/30/16/68/176301668.db2.gz HKZZMRSKIIPNLF-UPJWGTAASA-N 1 0 241.331 1.091 10 30 BDEERO C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1[NH+](C)C ZINC000124141461 176307400 /nfs/dbraw/zinc/30/74/00/176307400.db2.gz AGLRHTYPMUMUDY-DOMZBBRYSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@@H]1CN(c2ccnc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124045135 176320281 /nfs/dbraw/zinc/32/02/81/176320281.db2.gz BNRPNQMIJNBYKV-MFKMUULPSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H](CC#N)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000050392304 176597376 /nfs/dbraw/zinc/59/73/76/176597376.db2.gz WVBSJPSHZOXYCG-ZWNOBZJWSA-N 1 0 243.310 1.119 10 30 BDEERO C[C@H]([NH3+])CC(=O)N(CCC#N)Cc1ccco1 ZINC000037824451 176755869 /nfs/dbraw/zinc/75/58/69/176755869.db2.gz DFEZFPXZBZAKFQ-JTQLQIEISA-N 1 0 235.287 1.259 10 30 BDEERO C[C@H](S)[C@@H]1[NH2+]CCc2cc(O)ccc21 ZINC000083660566 177026395 /nfs/dbraw/zinc/02/63/95/177026395.db2.gz KMIHISHJGUSROS-CPCISQLKSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1CCC[C@@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019393401 177127883 /nfs/dbraw/zinc/12/78/83/177127883.db2.gz ITLPYIVYVKYOMV-NWDGAFQWSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@H]1CN(C(=O)c2ccc(C#N)o2)C[C@@H]1[NH+](C)C ZINC000335312242 177226861 /nfs/dbraw/zinc/22/68/61/177226861.db2.gz LEPDVSCXQOISDQ-ONGXEEELSA-N 1 0 247.298 1.173 10 30 BDEERO C[C@H]1CN(c2cccc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000123995174 177277143 /nfs/dbraw/zinc/27/71/43/177277143.db2.gz DWBVJLBZUNWATD-JQWIXIFHSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586411 177377305 /nfs/dbraw/zinc/37/73/05/177377305.db2.gz UPEYFMMOVOSJSO-SMDDNHRTSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(/C(N)=N/O)cc1 ZINC000104415246 177379394 /nfs/dbraw/zinc/37/93/94/177379394.db2.gz JTSUNOXLINMPEW-GWCFXTLKSA-N 1 0 247.342 1.869 10 30 BDEERO Cc1nc(N[C@@H](C[NH3+])CC(C)C)ccc1C#N ZINC000336721258 177502212 /nfs/dbraw/zinc/50/22/12/177502212.db2.gz SNPKVBOOLZIJGJ-GFCCVEGCSA-N 1 0 232.331 1.469 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1cnc(C#N)cn1 ZINC000070581567 269614350 /nfs/dbraw/zinc/61/43/50/269614350.db2.gz WZDFMNJQPNYFJR-SECBINFHSA-N 1 0 219.292 1.134 10 30 BDEERO N#CCC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000094460553 487952049 /nfs/dbraw/zinc/95/20/49/487952049.db2.gz WNLODAMMKAQBEW-GFCCVEGCSA-N 1 0 219.332 1.460 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C#N)n1 ZINC000311001245 325112355 /nfs/dbraw/zinc/11/23/55/325112355.db2.gz IJLQRXUDWQGZJC-GHMZBOCLSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@H](C[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131302444 325135461 /nfs/dbraw/zinc/13/54/61/325135461.db2.gz LUJGATYCKXSALB-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO CCN1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135161268 325398111 /nfs/dbraw/zinc/39/81/11/325398111.db2.gz PZMLJWQQRLEPKN-NSHDSACASA-N 1 0 233.315 1.725 10 30 BDEERO N#Cc1cncnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000310760732 326200623 /nfs/dbraw/zinc/20/06/23/326200623.db2.gz YSABZPULXVZBPK-LBPRGKRZSA-N 1 0 243.314 1.023 10 30 BDEERO C=C1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000382575750 487546681 /nfs/dbraw/zinc/54/66/81/487546681.db2.gz DUOWIBSWVJTVFY-GFCCVEGCSA-N 1 0 222.332 1.697 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000382549648 487546736 /nfs/dbraw/zinc/54/67/36/487546736.db2.gz DAKYKBQSNYUHCM-RYUDHWBXSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000246417394 534798026 /nfs/dbraw/zinc/79/80/26/534798026.db2.gz MXWCUKNPVCHKIW-ZIAGYGMSSA-N 1 0 238.375 1.651 10 30 BDEERO C=CCOc1cccc(NC(=O)C2C[NH2+]C2)c1 ZINC000263284429 534884112 /nfs/dbraw/zinc/88/41/12/534884112.db2.gz KIJZMRFCNGCQNP-UHFFFAOYSA-N 1 0 232.283 1.409 10 30 BDEERO COC[C@@H](C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263283809 536520474 /nfs/dbraw/zinc/52/04/74/536520474.db2.gz SYWQIGFRNFJLLU-MNOVXSKESA-N 1 0 239.363 1.648 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000401268127 529059344 /nfs/dbraw/zinc/05/93/44/529059344.db2.gz SEMDTFLXBFMOGY-SNVBAGLBSA-N 1 0 231.303 1.244 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cnccc1C#N ZINC000133650256 535066369 /nfs/dbraw/zinc/06/63/69/535066369.db2.gz BRDRPVQIAVLQNV-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO CC(C)NC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262474431 535125701 /nfs/dbraw/zinc/12/57/01/535125701.db2.gz ZOIHJBGHIDKAKO-JTQLQIEISA-N 1 0 237.278 1.572 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CC1(C)C ZINC000262694609 535265335 /nfs/dbraw/zinc/26/53/35/535265335.db2.gz DEJNWPLELHYUBD-IVZWLZJFSA-N 1 0 209.337 1.748 10 30 BDEERO CCC[C@@H](C(=O)N[C@@H](CC)CC#N)[NH+](C)C ZINC000183901204 535318293 /nfs/dbraw/zinc/31/82/93/535318293.db2.gz WBKVZRFTYDAWIJ-QWRGUYRKSA-N 1 0 225.336 1.525 10 30 BDEERO CN1CCC[NH+]=C1NCC1(C(F)F)CC1 ZINC000263046725 536361447 /nfs/dbraw/zinc/36/14/47/536361447.db2.gz CZUUSVOVLGKNGV-UHFFFAOYSA-N 1 0 217.263 1.313 10 30 BDEERO N#Cc1sc(NC[C@H]2CC[NH2+]C2)nc1Cl ZINC000236042218 632867559 /nfs/dbraw/zinc/86/75/59/632867559.db2.gz SSWGCONDZPEXNA-LURJTMIESA-N 1 0 242.735 1.690 10 30 BDEERO N#Cc1sc(N2CCC[C@H]([NH3+])C2)nc1Cl ZINC000236330924 632919437 /nfs/dbraw/zinc/91/94/37/632919437.db2.gz WMTXWOAZDFAIJK-LURJTMIESA-N 1 0 242.735 1.596 10 30 BDEERO C#CCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000174613161 641311133 /nfs/dbraw/zinc/31/11/33/641311133.db2.gz OWHFYEXONYLTJJ-UHFFFAOYSA-N 1 0 221.304 1.240 10 30 BDEERO C#CCC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000069768510 642905017 /nfs/dbraw/zinc/90/50/17/642905017.db2.gz UHWZZUMZCCKSLS-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO N#Cc1cc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000071386077 643138711 /nfs/dbraw/zinc/13/87/11/643138711.db2.gz IEUJURDZWJIIQS-LBPRGKRZSA-N 1 0 238.294 1.880 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH3+])C1 ZINC000050249515 643664869 /nfs/dbraw/zinc/66/48/69/643664869.db2.gz KXPXVXRYRJBNBQ-VIFPVBQESA-N 1 0 246.270 1.251 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000701924868 711863915 /nfs/dbraw/zinc/86/39/15/711863915.db2.gz PPEOIZWXGBMRHF-YFKPBYRVSA-N 1 0 230.724 1.688 10 30 BDEERO CN(CCCCCC[NH3+])c1ccc(C#N)nc1 ZINC000710780615 712256453 /nfs/dbraw/zinc/25/64/53/712256453.db2.gz KWHUASITAHMVOM-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000715128777 712511401 /nfs/dbraw/zinc/51/14/01/712511401.db2.gz OVUKFHAYOKZZBF-XYPYZODXSA-N 1 0 201.273 1.707 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000715113690 712510070 /nfs/dbraw/zinc/51/00/70/712510070.db2.gz IQBDNDRHFMHTHG-DTORHVGOSA-N 1 0 202.261 1.102 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1cccc(F)c1C#N ZINC000723785486 710731108 /nfs/dbraw/zinc/73/11/08/710731108.db2.gz LOAVDLLAYUDBHG-ZJUUUORDSA-N 1 0 233.290 1.965 10 30 BDEERO N#Cc1cc(F)ccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723670946 710731579 /nfs/dbraw/zinc/73/15/79/710731579.db2.gz WRIKNFLGUQMMSQ-SNVBAGLBSA-N 1 0 233.290 1.872 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1C#N ZINC000723821421 710732948 /nfs/dbraw/zinc/73/29/48/710732948.db2.gz NKESNMSLIDOERD-KOLCDFICSA-N 1 0 216.288 1.221 10 30 BDEERO Cc1nnc(N[C@@H]2C[NH2+]CC2(C)C)c(C#N)c1C ZINC000721859825 711791756 /nfs/dbraw/zinc/79/17/56/711791756.db2.gz XFLZMVRPOCDHFH-LLVKDONJSA-N 1 0 245.330 1.375 10 30 BDEERO CCCCCCCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000702839210 712061480 /nfs/dbraw/zinc/06/14/80/712061480.db2.gz NJXJBEOHUHCWMB-RYUDHWBXSA-N 1 0 242.363 1.043 10 30 BDEERO CCCCCCCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000702839212 712061667 /nfs/dbraw/zinc/06/16/67/712061667.db2.gz NJXJBEOHUHCWMB-VXGBXAGGSA-N 1 0 242.363 1.043 10 30 BDEERO C[C@@H](CC(C)(C)C#N)[NH2+]C1CC(CO)C1 ZINC000705080957 712122464 /nfs/dbraw/zinc/12/24/64/712122464.db2.gz PWGOHDHOQBASNY-WHXUTIOJSA-N 1 0 210.321 1.675 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709917040 712232989 /nfs/dbraw/zinc/23/29/89/712232989.db2.gz VGCLBQAVKGKPSK-KOLCDFICSA-N 1 0 221.329 1.967 10 30 BDEERO CN(CCCCCC[NH3+])c1nccnc1C#N ZINC000710800794 712257598 /nfs/dbraw/zinc/25/75/98/712257598.db2.gz ZEOVCFBXLYGNSD-UHFFFAOYSA-N 1 0 233.319 1.304 10 30 BDEERO CCC1([NH3+])CCN(c2cc(C)ncc2C#N)CC1 ZINC000714752163 712497303 /nfs/dbraw/zinc/49/73/03/712497303.db2.gz QEDJQADSNMHXFI-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO N#Cc1c(F)cccc1NCC1CC([NH3+])C1 ZINC000715085684 712507570 /nfs/dbraw/zinc/50/75/70/712507570.db2.gz KQPITSHXGFHXAT-UHFFFAOYSA-N 1 0 219.263 1.847 10 30 BDEERO N#Cc1sc(NCC2CC([NH3+])C2)nc1Cl ZINC000715113725 712510040 /nfs/dbraw/zinc/51/00/40/712510040.db2.gz JQGRRZYBPNSRQA-UHFFFAOYSA-N 1 0 242.735 1.817 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncccc1C#N ZINC000721097561 712891111 /nfs/dbraw/zinc/89/11/11/712891111.db2.gz NBWYBDWQPYDPIX-ZYHUDNBSSA-N 1 0 230.315 1.611 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]1CCCC[NH2+]1 ZINC000685954307 538899091 /nfs/dbraw/zinc/89/90/91/538899091.db2.gz UZIDJSATPSKAJE-SNVBAGLBSA-N 1 0 209.289 1.474 10 30 BDEERO C=CC[C@H]1CCN(CC(F)(F)CN)C1 ZINC000685956890 538901633 /nfs/dbraw/zinc/90/16/33/538901633.db2.gz IVKAIGHOHYXYAE-VIFPVBQESA-N 1 0 204.264 1.478 10 30 BDEERO COCC#CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685958527 538905886 /nfs/dbraw/zinc/90/58/86/538905886.db2.gz GOSGOWVHJOSLGS-UHFFFAOYSA-N 1 0 231.295 1.385 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000127350788 178118360 /nfs/dbraw/zinc/11/83/60/178118360.db2.gz CEFVKKYHQVCCSD-GFCCVEGCSA-N 1 0 244.342 1.710 10 30 BDEERO C=C(C)CC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309522138 136219130 /nfs/dbraw/zinc/21/91/30/136219130.db2.gz BVQHRAVDRBBJNE-NSHDSACASA-N 1 0 222.332 1.744 10 30 BDEERO N#Cc1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000616612390 349517414 /nfs/dbraw/zinc/51/74/14/349517414.db2.gz NTOLTIXWDHHLNN-ZDUSSCGKSA-N 1 0 215.300 1.306 10 30 BDEERO Cc1cc([C@H](C#N)N2CC[NH2+]CC2)c(C)s1 ZINC000049687497 178244451 /nfs/dbraw/zinc/24/44/51/178244451.db2.gz CARFNIVMZFEUTC-LBPRGKRZSA-N 1 0 235.356 1.835 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000043395801 178365227 /nfs/dbraw/zinc/36/52/27/178365227.db2.gz LHJWMQNZTUTGCL-CHWSQXEVSA-N 1 0 242.326 1.910 10 30 BDEERO Cc1ccc(C#N)cc1N[C@H]1CC[N@@H+](C)C1 ZINC000061989849 178367893 /nfs/dbraw/zinc/36/78/93/178367893.db2.gz CLENNPRKJKZIMG-LBPRGKRZSA-N 1 0 215.300 1.983 10 30 BDEERO CC#CC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000381550119 539003580 /nfs/dbraw/zinc/00/35/80/539003580.db2.gz MIGGJEQLTKPKQL-CYBMUJFWSA-N 1 0 219.284 1.342 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000071139969 361960777 /nfs/dbraw/zinc/96/07/77/361960777.db2.gz HSJJWPRIACOFJK-GFCCVEGCSA-N 1 0 249.358 1.623 10 30 BDEERO CNC(Cc1cccc(Br)c1)=[NH+]N ZINC000059783155 342863096 /nfs/dbraw/zinc/86/30/96/342863096.db2.gz JTEWINABNVSYQF-UHFFFAOYSA-N 1 0 242.120 1.483 10 30 BDEERO C=CCN(CC=C)C(=O)C1CCC([NH3+])CC1 ZINC000037481858 398328376 /nfs/dbraw/zinc/32/83/76/398328376.db2.gz YDLQZVBRHAUBET-UHFFFAOYSA-N 1 0 222.332 1.705 10 30 BDEERO C=CC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000122412942 343159418 /nfs/dbraw/zinc/15/94/18/343159418.db2.gz CKGFHNJDZPCZDV-MNOVXSKESA-N 1 0 210.321 1.457 10 30 BDEERO Cc1cccnc1CN1CCCC[C@@H]1/C(N)=N/O ZINC000166202629 136307641 /nfs/dbraw/zinc/30/76/41/136307641.db2.gz ABPIKYBQBFHPGW-GFCCVEGCSA-N 1 0 248.330 1.491 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000083466258 343486845 /nfs/dbraw/zinc/48/68/45/343486845.db2.gz QFSQPUGJNZJSHW-MNOVXSKESA-N 1 0 208.305 1.573 10 30 BDEERO N#Cc1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616622024 343525281 /nfs/dbraw/zinc/52/52/81/343525281.db2.gz YGGAZLWFFUFQSA-ZDUSSCGKSA-N 1 0 229.327 1.696 10 30 BDEERO N#Cc1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000071179072 343625715 /nfs/dbraw/zinc/62/57/15/343625715.db2.gz KQLLUEMGLFEAOC-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO C[C@H]1CCC[N@H+](C[C@]2(C=O)CCOC2)C1 ZINC000051175421 346975491 /nfs/dbraw/zinc/97/54/91/346975491.db2.gz NFFCRYPSCSJXLV-RYUDHWBXSA-N 1 0 211.305 1.324 10 30 BDEERO N#C[C@H](NC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000409440975 343854363 /nfs/dbraw/zinc/85/43/63/343854363.db2.gz NCRGEPHNSFIEOV-NSHDSACASA-N 1 0 221.691 1.466 10 30 BDEERO N#C[C@@H](Cc1ccccc1)N1CC(C[NH3+])C1 ZINC000409438981 343845761 /nfs/dbraw/zinc/84/57/61/343845761.db2.gz FKCHQJSDXPDQPN-CYBMUJFWSA-N 1 0 215.300 1.012 10 30 BDEERO N#C[C@@H](c1cccc(F)c1)N1CC(C[NH3+])C1 ZINC000409442634 343859605 /nfs/dbraw/zinc/85/96/05/343859605.db2.gz YKSTZQMLWHFKJF-LBPRGKRZSA-N 1 0 219.263 1.281 10 30 BDEERO C#CCn1nc(-c2cccs2)cc1C(N)=[NH2+] ZINC000409442780 343864390 /nfs/dbraw/zinc/86/43/90/343864390.db2.gz AIFWBQNTTHCJMG-UHFFFAOYSA-N 1 0 230.296 1.529 10 30 BDEERO CC[C@@H]1CN(c2cnccc2C#N)CC[C@H]1[NH3+] ZINC000251637174 344110557 /nfs/dbraw/zinc/11/05/57/344110557.db2.gz FSYGWPRCOZZIBQ-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C=C(C)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000616571106 344178079 /nfs/dbraw/zinc/17/80/79/344178079.db2.gz JQQAZRPNQYTZLE-LBPRGKRZSA-N 1 0 236.359 1.991 10 30 BDEERO CC#CCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000128783865 344208729 /nfs/dbraw/zinc/20/87/29/344208729.db2.gz HLRGGUNVSHTTCQ-QWHCGFSZSA-N 1 0 206.333 1.568 10 30 BDEERO CCN(CC[NH3+])c1ccc(F)cc1C#N ZINC000165952381 344247754 /nfs/dbraw/zinc/24/77/54/344247754.db2.gz IXRHMHFMVIWXIU-UHFFFAOYSA-N 1 0 207.252 1.482 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1C#N ZINC000600957664 344419360 /nfs/dbraw/zinc/41/93/60/344419360.db2.gz SDRFZZNFVSWJMQ-WCBMZHEXSA-N 1 0 202.261 1.116 10 30 BDEERO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)[C@H](C)[NH3+] ZINC000381354927 344496604 /nfs/dbraw/zinc/49/66/04/344496604.db2.gz IUQZYYDIMBZFTK-NKWVEPMBSA-N 1 0 235.247 1.009 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381373641 344498998 /nfs/dbraw/zinc/49/89/98/344498998.db2.gz NGZMTCNBAQGKAJ-BDAKNGLRSA-N 1 0 204.277 1.409 10 30 BDEERO C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381388178 344500410 /nfs/dbraw/zinc/50/04/10/344500410.db2.gz RHBGLRBIVNJXIA-JGVFFNPUSA-N 1 0 234.259 1.614 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000381388180 344500500 /nfs/dbraw/zinc/50/05/00/344500500.db2.gz RHBGLRBIVNJXIA-YUMQZZPRSA-N 1 0 234.259 1.614 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000381726607 344540714 /nfs/dbraw/zinc/54/07/14/344540714.db2.gz KMLLZKFYZCAVAC-UWVGGRQHSA-N 1 0 240.310 1.676 10 30 BDEERO C#CC[C@@H]([NH3+])c1snnc1C(C)(C)C ZINC000158308429 344585553 /nfs/dbraw/zinc/58/55/53/344585553.db2.gz KJJASQXGDJLVKC-SSDOTTSWSA-N 1 0 209.318 1.859 10 30 BDEERO C#C[C@@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000166428701 344894852 /nfs/dbraw/zinc/89/48/52/344894852.db2.gz GGRAVRIKFWIQCD-SECBINFHSA-N 1 0 224.304 1.217 10 30 BDEERO N#CC1(C[C@@H](O)C[NH+]2CCCCCC2)CC1 ZINC000309359422 323082050 /nfs/dbraw/zinc/08/20/50/323082050.db2.gz NVDAFMZJGGSNKG-GFCCVEGCSA-N 1 0 222.332 1.917 10 30 BDEERO CC#CCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000155120598 345068367 /nfs/dbraw/zinc/06/83/67/345068367.db2.gz GCBXMTYGRKKCHH-GFCCVEGCSA-N 1 0 208.305 1.000 10 30 BDEERO CC#CCC[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000155355476 345078660 /nfs/dbraw/zinc/07/86/60/345078660.db2.gz QRKYCVIXBXNLNW-ZDUSSCGKSA-N 1 0 236.359 1.781 10 30 BDEERO N#Cc1ccnc(C[NH3+])c1OC(F)(F)F ZINC000238609910 345092515 /nfs/dbraw/zinc/09/25/15/345092515.db2.gz QCEHRQALBLDUIQ-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1ccncc1NCC1CC[NH2+]CC1 ZINC000135800077 345458304 /nfs/dbraw/zinc/45/83/04/345458304.db2.gz LYZIQGLQSYIWMX-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO Cc1ccnc(N(C)CCC[NH3+])c1C#N ZINC000227749257 345553551 /nfs/dbraw/zinc/55/35/51/345553551.db2.gz PJIKVIDYYOBELL-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC000070447853 345716812 /nfs/dbraw/zinc/71/68/12/345716812.db2.gz MSDVGUBGYHRKQD-LBPRGKRZSA-N 1 0 244.342 1.837 10 30 BDEERO C[NH+](C)Cc1ccc2c(C#N)c[nH]c2n1 ZINC000143443968 345866025 /nfs/dbraw/zinc/86/60/25/345866025.db2.gz PALUDKWYELXHKS-UHFFFAOYSA-N 1 0 200.245 1.496 10 30 BDEERO CC(C)(/C=N/O)/[N+](O)=C/c1ccccc1 ZINC000143780303 345912434 /nfs/dbraw/zinc/91/24/34/345912434.db2.gz KYWDCEORPBIXJS-OYQWPQAFSA-O 1 0 207.253 1.746 10 30 BDEERO C=C(Cl)C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000166897116 345948456 /nfs/dbraw/zinc/94/84/56/345948456.db2.gz RHKXWOLLUFJOSO-ZJUUUORDSA-N 1 0 203.713 1.974 10 30 BDEERO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854929 346463121 /nfs/dbraw/zinc/46/31/21/346463121.db2.gz CXKULUWQXOOPMI-NEPJUHHUSA-N 1 0 240.347 1.130 10 30 BDEERO CCCC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000044389488 168559413 /nfs/dbraw/zinc/55/94/13/168559413.db2.gz INYJXFLUCKGWDT-GFCCVEGCSA-N 1 0 244.338 1.974 10 30 BDEERO N#Cc1ccc(NCC2([NH3+])CCCC2)nc1 ZINC000206140762 346561083 /nfs/dbraw/zinc/56/10/83/346561083.db2.gz WWAQWXPYVVMWIO-UHFFFAOYSA-N 1 0 216.288 1.637 10 30 BDEERO Cc1cc(C#N)cc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381835350 346536953 /nfs/dbraw/zinc/53/69/53/346536953.db2.gz XYSNDVVNDQQUKG-DTWKUNHWSA-N 1 0 204.277 1.409 10 30 BDEERO Cc1cc(C#N)cc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381835360 346537339 /nfs/dbraw/zinc/53/73/39/346537339.db2.gz XYSNDVVNDQQUKG-RKDXNWHRSA-N 1 0 204.277 1.409 10 30 BDEERO Cc1cc(NCC[NH2+]C2CC2)cc(C#N)n1 ZINC000308235720 346758657 /nfs/dbraw/zinc/75/86/57/346758657.db2.gz BBXPWTFWNWXYQX-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO N#Cc1cncc(N[C@H](C[NH3+])C2CCCC2)n1 ZINC000401515623 346765852 /nfs/dbraw/zinc/76/58/52/346765852.db2.gz OKAUTUGHWRVYJQ-LLVKDONJSA-N 1 0 231.303 1.278 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1cncc(C#N)n1 ZINC000401500732 346751660 /nfs/dbraw/zinc/75/16/60/346751660.db2.gz GVTCWSBEFQFDQP-VIFPVBQESA-N 1 0 219.292 1.134 10 30 BDEERO O=C[C@@H]1CCCC[N@H+]1[C@H]1CCCC[C@H]1O ZINC000251090592 362836948 /nfs/dbraw/zinc/83/69/48/362836948.db2.gz IFYQILGSUMGCNU-SDDRHHMPSA-N 1 0 211.305 1.343 10 30 BDEERO N#Cc1ccnc(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000591439986 347661589 /nfs/dbraw/zinc/66/15/89/347661589.db2.gz MGYKZNPXLIEGNF-CQSZACIVSA-N 1 0 242.326 1.533 10 30 BDEERO CC[NH2+]CCCNc1cc(C)nc(C#N)c1 ZINC000308236501 323151834 /nfs/dbraw/zinc/15/18/34/323151834.db2.gz CNPCQVDLXQNMRV-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000593014329 347844544 /nfs/dbraw/zinc/84/45/44/347844544.db2.gz IPDPAXXBILPXPM-OLZOCXBDSA-N 1 0 237.347 1.085 10 30 BDEERO N#Cc1ccnc(NCCC2CC[NH2+]CC2)c1 ZINC000593233446 347873040 /nfs/dbraw/zinc/87/30/40/347873040.db2.gz PTNZFKXBHKIHJW-UHFFFAOYSA-N 1 0 230.315 1.177 10 30 BDEERO N#Cc1cnc(NCCC2CC[NH2+]CC2)cn1 ZINC000593233867 347873075 /nfs/dbraw/zinc/87/30/75/347873075.db2.gz YQWZZUNESWGTOY-UHFFFAOYSA-N 1 0 231.303 1.150 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445385 348055728 /nfs/dbraw/zinc/05/57/28/348055728.db2.gz DZPRMIBNRZZCCG-IJLUTSLNSA-N 1 0 237.347 1.702 10 30 BDEERO N#Cc1ccc(NCC2([NH3+])CCCC2)cn1 ZINC000594692284 348099922 /nfs/dbraw/zinc/09/99/22/348099922.db2.gz UDDFMGHWMXLWEH-UHFFFAOYSA-N 1 0 216.288 1.637 10 30 BDEERO CC#CCN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000119170116 348206189 /nfs/dbraw/zinc/20/61/89/348206189.db2.gz GKYPWIMZZBLCTK-ZDUSSCGKSA-N 1 0 224.348 1.052 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000595480836 348252214 /nfs/dbraw/zinc/25/22/14/348252214.db2.gz BBJBRPIZZPDZMN-GHMZBOCLSA-N 1 0 240.372 1.526 10 30 BDEERO CN(c1ccc(C#N)cc1F)C1CC([NH3+])C1 ZINC000335658880 187393378 /nfs/dbraw/zinc/39/33/78/187393378.db2.gz CHLWFUQUSVCEPQ-UHFFFAOYSA-N 1 0 219.263 1.623 10 30 BDEERO C=C(Cl)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359631 348440427 /nfs/dbraw/zinc/44/04/27/348440427.db2.gz DSFYIFYJLGIMCV-QWRGUYRKSA-N 1 0 214.740 1.955 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)nc1 ZINC000596029786 348425467 /nfs/dbraw/zinc/42/54/67/348425467.db2.gz AIKTWYRCOFPQTO-GFCCVEGCSA-N 1 0 218.304 1.739 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1cnc(C#N)cn1 ZINC000596029922 348426299 /nfs/dbraw/zinc/42/62/99/348426299.db2.gz DTWASRSCNUMWHR-SNVBAGLBSA-N 1 0 219.292 1.134 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1cccc(F)c1C#N ZINC000596032147 348427241 /nfs/dbraw/zinc/42/72/41/348427241.db2.gz HMWMHRPMNPJQND-MRVPVSSYSA-N 1 0 207.252 1.717 10 30 BDEERO C=C(Cl)C[NH2+]CCC(=O)N[C@H](C)CC ZINC000038014553 187420159 /nfs/dbraw/zinc/42/01/59/187420159.db2.gz BQIXMMWIYZORMG-SECBINFHSA-N 1 0 218.728 1.633 10 30 BDEERO Cc1nc(N2CC[C@H]([NH+](C)C)C2)ccc1C#N ZINC000291789807 180004035 /nfs/dbraw/zinc/00/40/35/180004035.db2.gz DEBSMDMKYYFHPE-LBPRGKRZSA-N 1 0 230.315 1.402 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCN2CCC[C@@H]12 ZINC000219280650 350119310 /nfs/dbraw/zinc/11/93/10/350119310.db2.gz ZEJMEXAZBDRFEB-UWVGGRQHSA-N 1 0 245.164 1.721 10 30 BDEERO O=CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220309938 350170444 /nfs/dbraw/zinc/17/04/44/350170444.db2.gz ZFEWKMGQZKUEDS-VXGBXAGGSA-N 1 0 211.305 1.202 10 30 BDEERO CCN(CC[NH3+])c1nc(C)c(C#N)cc1Cl ZINC000309234092 350215991 /nfs/dbraw/zinc/21/59/91/350215991.db2.gz JFCLVMSYCFEGJC-UHFFFAOYSA-N 1 0 238.722 1.700 10 30 BDEERO CC(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000261983850 535123791 /nfs/dbraw/zinc/12/37/91/535123791.db2.gz JGUKLMOHLQQNLF-VXGBXAGGSA-N 1 0 235.306 1.994 10 30 BDEERO C(=N/CCN1CC[NH2+]CC1)\c1ccccc1 ZINC000034099712 350463712 /nfs/dbraw/zinc/46/37/12/350463712.db2.gz QFYFBDXZTPGLIB-NTCAYCPXSA-N 1 0 217.316 1.011 10 30 BDEERO C[N@@H+]1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616597213 350646310 /nfs/dbraw/zinc/64/63/10/350646310.db2.gz HVMKGWBMROCQSB-LBPRGKRZSA-N 1 0 216.284 1.604 10 30 BDEERO CCC[C@H](C#N)C(=O)N(C)CCC[NH+](C)C ZINC000104345605 187460868 /nfs/dbraw/zinc/46/08/68/187460868.db2.gz KDCZTOKUWGYRFM-LLVKDONJSA-N 1 0 225.336 1.336 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CN2CCC1CC2 ZINC000037681172 187461646 /nfs/dbraw/zinc/46/16/46/187461646.db2.gz YYFZRIXQKIMBDW-JTQLQIEISA-N 1 0 245.164 1.579 10 30 BDEERO C=C[C@@H](C(=O)OC)N(C)C[C@H]1CCC[N@H+]1CC ZINC000304222703 350760911 /nfs/dbraw/zinc/76/09/11/350760911.db2.gz NJGWJOAFNOXYFM-NEPJUHHUSA-N 1 0 240.347 1.130 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000401360967 350780266 /nfs/dbraw/zinc/78/02/66/350780266.db2.gz FCWXGRNTMFFDHZ-OPRDCNLKSA-N 1 0 247.180 1.966 10 30 BDEERO CNC(=[NH2+])Nc1ccc(F)cc1Cl ZINC000052069032 350902390 /nfs/dbraw/zinc/90/23/90/350902390.db2.gz RVYHWNXAMMVKSI-UHFFFAOYSA-N 1 0 201.632 1.645 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccnc(C#N)n1 ZINC000386436632 362987444 /nfs/dbraw/zinc/98/74/44/362987444.db2.gz PCHBAQFYVGVOTR-NSHDSACASA-N 1 0 245.330 1.269 10 30 BDEERO N#Cc1ccc([C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000616618220 350884090 /nfs/dbraw/zinc/88/40/90/350884090.db2.gz SUOXKSWWZSHQRG-AWEZNQCLSA-N 1 0 230.311 1.730 10 30 BDEERO C=C(CS)C[N@@H+]1CCS[C@@H](C)C1 ZINC000231633307 350990031 /nfs/dbraw/zinc/99/00/31/350990031.db2.gz HPKJMMQWXNTJPH-VIFPVBQESA-N 1 0 203.376 1.910 10 30 BDEERO CN/C(=[NH+]/C)N1CCC=C(Br)C1 ZINC000404200002 351123856 /nfs/dbraw/zinc/12/38/56/351123856.db2.gz QTPOCUAUVSUPMX-UHFFFAOYSA-N 1 0 232.125 1.176 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000383018304 351166406 /nfs/dbraw/zinc/16/64/06/351166406.db2.gz LOFZXGPHVPRDJC-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO C[N@@H+]1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616653259 351189280 /nfs/dbraw/zinc/18/92/80/351189280.db2.gz WSNLKCVXIFQHBC-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1ccc([C@H]2CC[N@H+](CCO)CCO2)cc1 ZINC000616666177 351225550 /nfs/dbraw/zinc/22/55/50/351225550.db2.gz KHFNTLFHUVYNEV-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO C[N@H+](CCNC(=O)CS)Cc1ccccc1 ZINC000306889088 351297792 /nfs/dbraw/zinc/29/77/92/351297792.db2.gz WZHFIZHTBWXIMB-UHFFFAOYSA-N 1 0 238.356 1.164 10 30 BDEERO C=C(Br)CSC1=[NH+]C[C@@H](C)N1 ZINC000306929390 351345867 /nfs/dbraw/zinc/34/58/67/351345867.db2.gz BBNCPZVRNDSASO-ZCFIWIBFSA-N 1 0 235.150 1.976 10 30 BDEERO C=CC[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000034936804 351350373 /nfs/dbraw/zinc/35/03/73/351350373.db2.gz JQIIPDOCOMQCKP-SNVBAGLBSA-N 1 0 210.321 1.599 10 30 BDEERO C#CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000307297980 351911559 /nfs/dbraw/zinc/91/15/59/351911559.db2.gz VYAJJWCEYWXSTK-SFYZADRCSA-N 1 0 207.195 1.319 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000638471913 352280572 /nfs/dbraw/zinc/28/05/72/352280572.db2.gz NCWKTUHRYWIKMX-AGIUHOORSA-N 1 0 236.359 1.786 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000638471917 352280629 /nfs/dbraw/zinc/28/06/29/352280629.db2.gz NCWKTUHRYWIKMX-UPJWGTAASA-N 1 0 236.359 1.786 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000638471915 352280641 /nfs/dbraw/zinc/28/06/41/352280641.db2.gz NCWKTUHRYWIKMX-FRRDWIJNSA-N 1 0 236.359 1.786 10 30 BDEERO C=CC[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000638472950 352282324 /nfs/dbraw/zinc/28/23/24/352282324.db2.gz XQIRCFCPWPQNIG-STQMWFEESA-N 1 0 236.359 1.801 10 30 BDEERO C[C@@H](CCC#N)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000411419788 191185913 /nfs/dbraw/zinc/18/59/13/191185913.db2.gz GTDLEPAPVSKBIY-GRYCIOLGSA-N 1 0 209.337 1.561 10 30 BDEERO Cn1nccc1CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000230777876 352362743 /nfs/dbraw/zinc/36/27/43/352362743.db2.gz SXGPWFUZZAVGMJ-DGCLKSJQSA-N 1 0 232.331 1.635 10 30 BDEERO OC1C[NH+](CC2(CS)CCCC2)C1 ZINC000307437270 352596679 /nfs/dbraw/zinc/59/66/79/352596679.db2.gz LWFOZEFXOJKLCK-UHFFFAOYSA-N 1 0 201.335 1.153 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H]1CSC[C@H]1C ZINC000379373254 538105675 /nfs/dbraw/zinc/10/56/75/538105675.db2.gz WXWDXDZPUUBINX-KXUCPTDWSA-N 1 0 201.335 1.265 10 30 BDEERO N#Cc1ccc(N[C@@H](CC[NH3+])C(F)F)cn1 ZINC000383433366 352979521 /nfs/dbraw/zinc/97/95/21/352979521.db2.gz CWLWJBKXWJRBIM-VIFPVBQESA-N 1 0 226.230 1.348 10 30 BDEERO C[C@H]1C[N@H+](CC(C)(C)CS)C[C@H]1O ZINC000306887208 353043744 /nfs/dbraw/zinc/04/37/44/353043744.db2.gz UFYBUVPJICROKL-DTWKUNHWSA-N 1 0 203.351 1.255 10 30 BDEERO C[C@@H]1CCSCC[N@@H+]1C(C)(C)C=O ZINC000307729597 353115361 /nfs/dbraw/zinc/11/53/61/353115361.db2.gz HIUURRYJXSFOBW-SECBINFHSA-N 1 0 201.335 1.791 10 30 BDEERO C#CCOc1c(C[NH2+]C2CC2)cccc1OC ZINC000037709746 188083056 /nfs/dbraw/zinc/08/30/56/188083056.db2.gz KELZMRCYNTWXHT-UHFFFAOYSA-N 1 0 231.295 1.959 10 30 BDEERO C=CC[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037484065 188106769 /nfs/dbraw/zinc/10/67/69/188106769.db2.gz MPZLNMRWRGTUMY-SSDOTTSWSA-N 1 0 207.277 1.223 10 30 BDEERO N#Cc1cccc([C@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019392835 188107258 /nfs/dbraw/zinc/10/72/58/188107258.db2.gz WLVWORFAQLODRY-ZDUSSCGKSA-N 1 0 226.283 1.028 10 30 BDEERO CC(C)[C@H]([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000038101650 188109467 /nfs/dbraw/zinc/10/94/67/188109467.db2.gz FNQVMUIJNSRKPH-ZDUSSCGKSA-N 1 0 245.326 1.522 10 30 BDEERO CC(C)N(CCC#N)C(=O)CC1CC[NH2+]CC1 ZINC000038075121 188116992 /nfs/dbraw/zinc/11/69/92/188116992.db2.gz OHGCIKSWQUHNBM-UHFFFAOYSA-N 1 0 237.347 1.527 10 30 BDEERO CC(C)C[C@@H]([NH3+])C(=O)Nc1sccc1C#N ZINC000040851959 188118198 /nfs/dbraw/zinc/11/81/98/188118198.db2.gz KCMSUVDOSIQOEW-SECBINFHSA-N 1 0 237.328 1.932 10 30 BDEERO CC(=O)NCC[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054825241 188127451 /nfs/dbraw/zinc/12/74/51/188127451.db2.gz DPMBCNCGTMIOBD-VXGBXAGGSA-N 1 0 223.320 1.185 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000032013896 188129331 /nfs/dbraw/zinc/12/93/31/188129331.db2.gz FHPVIHDKGRSWBA-GFCCVEGCSA-N 1 0 221.300 1.510 10 30 BDEERO CCCCCCCN(CCCO)C(=O)[C@H](C)[NH3+] ZINC000103047236 188150487 /nfs/dbraw/zinc/15/04/87/188150487.db2.gz XVTIFTGIEXLRSI-LBPRGKRZSA-N 1 0 244.379 1.515 10 30 BDEERO CC(C)NC(=[NH+]N)[C@H]1COc2ccccc2C1 ZINC000104114535 188150196 /nfs/dbraw/zinc/15/01/96/188150196.db2.gz XJDXIFIZFCKZBZ-LLVKDONJSA-N 1 0 233.315 1.508 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042862277 188216493 /nfs/dbraw/zinc/21/64/93/188216493.db2.gz CJIAAGZHMQBWAV-AGIUHOORSA-N 1 0 236.359 1.540 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042862271 188216630 /nfs/dbraw/zinc/21/66/30/188216630.db2.gz CJIAAGZHMQBWAV-FRRDWIJNSA-N 1 0 236.359 1.540 10 30 BDEERO C=C(Br)CN1CCC(C[NH3+])CC1 ZINC000044514506 188217007 /nfs/dbraw/zinc/21/70/07/188217007.db2.gz MWGSNUONTAPDAZ-UHFFFAOYSA-N 1 0 233.153 1.566 10 30 BDEERO COc1ccc(Cn2ccnc2)cc1C#CCO ZINC000049619016 188218332 /nfs/dbraw/zinc/21/83/32/188218332.db2.gz SWOYUSYWWPRDON-UHFFFAOYSA-N 1 0 242.278 1.284 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)o1 ZINC000164612497 188218876 /nfs/dbraw/zinc/21/88/76/188218876.db2.gz BEHLFSKAGAOVJG-GHMZBOCLSA-N 1 0 206.245 1.154 10 30 BDEERO C=CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054400848 188221736 /nfs/dbraw/zinc/22/17/36/188221736.db2.gz GXKWDGZVPRKEEP-RYUDHWBXSA-N 1 0 222.332 1.553 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@H](CCC)[NH+](C)C ZINC000160647757 353269204 /nfs/dbraw/zinc/26/92/04/353269204.db2.gz IUXZSZPCHWPDAO-QWRGUYRKSA-N 1 0 212.337 1.798 10 30 BDEERO C=CCC[C@@H](O)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000132955671 353388181 /nfs/dbraw/zinc/38/81/81/353388181.db2.gz KCHBGXASGPCJLP-ZIAGYGMSSA-N 1 0 240.391 1.730 10 30 BDEERO N#CC1(C[N@H+]2CCC[C@@H]2CCCO)CC1 ZINC000343317322 353659225 /nfs/dbraw/zinc/65/92/25/353659225.db2.gz UWTGWRBHOVCJSL-LLVKDONJSA-N 1 0 208.305 1.527 10 30 BDEERO C[C@H]1C[N@H+](C)CCN1C/C=C\CS ZINC000308109270 353887610 /nfs/dbraw/zinc/88/76/10/353887610.db2.gz YWMPVXWYJQLSOR-XOULXFPDSA-N 1 0 200.351 1.108 10 30 BDEERO N#CCCN(C(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000038099473 181037268 /nfs/dbraw/zinc/03/72/68/181037268.db2.gz QNHFKYFJQNURFP-ZDUSSCGKSA-N 1 0 243.310 1.591 10 30 BDEERO N#CC[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000055014739 181044886 /nfs/dbraw/zinc/04/48/86/181044886.db2.gz CWSUMFIMMRFWMG-ZDUSSCGKSA-N 1 0 215.300 1.547 10 30 BDEERO N#CC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204401 181045887 /nfs/dbraw/zinc/04/58/87/181045887.db2.gz XCWYUMAIEMKRML-VIFPVBQESA-N 1 0 201.229 1.787 10 30 BDEERO N#CCc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062113851 181048507 /nfs/dbraw/zinc/04/85/07/181048507.db2.gz FKBGIUJXCFWCKO-LLVKDONJSA-N 1 0 229.283 1.301 10 30 BDEERO N#C[C@H](N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369186 181064754 /nfs/dbraw/zinc/06/47/54/181064754.db2.gz CVBASDGZQPAGLQ-CYBMUJFWSA-N 1 0 215.300 1.286 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1NCC[NH+]1CCCC1 ZINC000054830120 181058674 /nfs/dbraw/zinc/05/86/74/181058674.db2.gz CYBQMYKIAADNHJ-STQMWFEESA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000054827336 181060084 /nfs/dbraw/zinc/06/00/84/181060084.db2.gz SAGLGQIWNSXHOV-QWHCGFSZSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]C1(CO)CCCCC1 ZINC000054829882 181070116 /nfs/dbraw/zinc/07/01/16/181070116.db2.gz WESSLFJESXYRLH-VXGBXAGGSA-N 1 0 222.332 1.963 10 30 BDEERO N#Cc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1F ZINC000083360865 181085916 /nfs/dbraw/zinc/08/59/16/181085916.db2.gz QMMARPMUEWAHEI-LBPRGKRZSA-N 1 0 234.274 1.966 10 30 BDEERO N#Cc1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000051782546 181111193 /nfs/dbraw/zinc/11/11/93/181111193.db2.gz AGMRWFCJJIBQLN-GFCCVEGCSA-N 1 0 202.257 1.437 10 30 BDEERO N#Cc1ccc(NCCC[NH3+])cc1Cl ZINC000061845583 181121535 /nfs/dbraw/zinc/12/15/35/181121535.db2.gz HJGQGKIKXNCEIF-UHFFFAOYSA-N 1 0 209.680 1.972 10 30 BDEERO N#Cc1ccc(NC(=O)CCC[NH3+])cc1Cl ZINC000037393484 181117314 /nfs/dbraw/zinc/11/73/14/181117314.db2.gz MEPZUURBGLQEMF-UHFFFAOYSA-N 1 0 237.690 1.889 10 30 BDEERO N#Cc1ccc(NC(=O)CCSCC[NH3+])cc1 ZINC000037035487 181118266 /nfs/dbraw/zinc/11/82/66/181118266.db2.gz WNMGIBVTBLUHQU-UHFFFAOYSA-N 1 0 249.339 1.579 10 30 BDEERO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000063174595 181118697 /nfs/dbraw/zinc/11/86/97/181118697.db2.gz RDGMOGTYQAZTRW-VXGBXAGGSA-N 1 0 244.298 1.560 10 30 BDEERO N#Cc1ccc(N[C@@H]2C[C@@H]2[NH3+])cc1Cl ZINC000061846835 181125408 /nfs/dbraw/zinc/12/54/08/181125408.db2.gz SIUJPXXFAFAVGM-VHSXEESVSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1cccc(N2CC[C@H](C[NH3+])C2)c1 ZINC000050250845 181138850 /nfs/dbraw/zinc/13/88/50/181138850.db2.gz YFIQQSHNCFWDQT-LLVKDONJSA-N 1 0 201.273 1.343 10 30 BDEERO N#Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043324225 181142100 /nfs/dbraw/zinc/14/21/00/181142100.db2.gz BFDDAKLNIDNDNF-GFCCVEGCSA-N 1 0 201.273 1.722 10 30 BDEERO N#Cc1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000026382677 181142853 /nfs/dbraw/zinc/14/28/53/181142853.db2.gz MJNATFPQHMITLN-NSHDSACASA-N 1 0 202.257 1.689 10 30 BDEERO N#Cc1ccccc1CN1CCC[C@@H](C=O)C1 ZINC000054219115 181145149 /nfs/dbraw/zinc/14/51/49/181145149.db2.gz TVLWFTRZOIMCJR-GFCCVEGCSA-N 1 0 228.295 1.969 10 30 BDEERO N#Cc1ccsc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000040851926 181161673 /nfs/dbraw/zinc/16/16/73/181161673.db2.gz IDOAKKYDENCCBV-SECBINFHSA-N 1 0 235.312 1.558 10 30 BDEERO N#Cc1ncccc1C[NH2+]CCc1ccccn1 ZINC000061657019 181170564 /nfs/dbraw/zinc/17/05/64/181170564.db2.gz AYRCQUCZSYJFTB-UHFFFAOYSA-N 1 0 238.294 1.681 10 30 BDEERO CN(C)[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608723 355404386 /nfs/dbraw/zinc/40/43/86/355404386.db2.gz MSEJCXOPRCOXTJ-LBPRGKRZSA-N 1 0 223.364 1.952 10 30 BDEERO COC(=O)[C@H]1CC[C@@H](C#C[Si](C)(C)C)[NH2+]C1 ZINC000203784524 491097299 /nfs/dbraw/zinc/09/72/99/491097299.db2.gz FSOOKKHLCZDGTC-QWRGUYRKSA-N 1 0 239.391 1.408 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CC(C)C2)C1 ZINC000389752581 357026131 /nfs/dbraw/zinc/02/61/31/357026131.db2.gz VTHDAXXZWZFNGK-AKJDGMEZSA-N 1 0 235.331 1.137 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2cccnc2C#N)C1 ZINC000130004904 357138772 /nfs/dbraw/zinc/13/87/72/357138772.db2.gz TYXZHIWQFLHRQY-JTQLQIEISA-N 1 0 216.288 1.094 10 30 BDEERO C#C[C@@]1([NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000685947404 538889176 /nfs/dbraw/zinc/88/91/76/538889176.db2.gz KGFIOGCURPOKBC-GFCCVEGCSA-N 1 0 224.304 1.348 10 30 BDEERO C=C(C)COCC[NH2+]Cc1ccnc(C)n1 ZINC000168610560 134231755 /nfs/dbraw/zinc/23/17/55/134231755.db2.gz CPVRZBHGPKACAB-UHFFFAOYSA-N 1 0 221.304 1.467 10 30 BDEERO C[NH2+]Cc1ccc(/C(N)=N/O)cc1Cl ZINC000169028862 358013157 /nfs/dbraw/zinc/01/31/57/358013157.db2.gz BSXSECGKMUCMBU-UHFFFAOYSA-N 1 0 213.668 1.154 10 30 BDEERO CCOC(=O)C([N+]#N)=C(NOC)c1ccccc1 ZINC000584611410 358275027 /nfs/dbraw/zinc/27/50/27/358275027.db2.gz DDKBZKBTKPWNAJ-GDNBJRDFSA-N 1 0 247.254 1.271 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000392918146 259480188 /nfs/dbraw/zinc/48/01/88/259480188.db2.gz WQABWQRMGIDULR-QWRGUYRKSA-N 1 0 237.347 1.573 10 30 BDEERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000016473597 358575594 /nfs/dbraw/zinc/57/55/94/358575594.db2.gz URYYPEIRURFMFS-UHFFFAOYSA-N 1 0 231.299 1.885 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC#N ZINC000247100166 359194062 /nfs/dbraw/zinc/19/40/62/359194062.db2.gz IJJUMDOTXUQQCW-OLZOCXBDSA-N 1 0 221.348 1.849 10 30 BDEERO C=CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246832513 359169053 /nfs/dbraw/zinc/16/90/53/359169053.db2.gz CUMHAUSPKWRCQN-QWRGUYRKSA-N 1 0 223.320 1.051 10 30 BDEERO CC(=[NH2+])NCc1cc(Br)cn1C ZINC000306243683 359426982 /nfs/dbraw/zinc/42/69/82/359426982.db2.gz MHWLIHMIUVIPSO-UHFFFAOYSA-N 1 0 230.109 1.665 10 30 BDEERO C#CCOc1c(C[NH2+]CCCO)cccc1OC ZINC000045946052 359746029 /nfs/dbraw/zinc/74/60/29/359746029.db2.gz VKEGSFIRKVJRID-UHFFFAOYSA-N 1 0 249.310 1.179 10 30 BDEERO CC1(Nc2nc(Cl)c(C#N)s2)C[NH2+]C1 ZINC000306565435 360446573 /nfs/dbraw/zinc/44/65/73/360446573.db2.gz FKSSUXQGVFTXJJ-UHFFFAOYSA-N 1 0 228.708 1.442 10 30 BDEERO C[C@@H]1CC[N@H+](C[C@]2(C=O)CCOC2)[C@@H]1C ZINC000306560003 360435210 /nfs/dbraw/zinc/43/52/10/360435210.db2.gz RDEHFIPUNXACDK-UTUOFQBUSA-N 1 0 211.305 1.322 10 30 BDEERO C=C(C(=O)C1([NH3+])CCOCC1)C(F)(F)F ZINC000306585039 360485508 /nfs/dbraw/zinc/48/55/08/360485508.db2.gz SDDDCBHAASHOSI-UHFFFAOYSA-N 1 0 223.194 1.182 10 30 BDEERO C[C@H]1[NH2+]CC[C@H]1C(=O)CC#CC(C)(C)C ZINC000300814485 360518351 /nfs/dbraw/zinc/51/83/51/360518351.db2.gz YACUITAMDJCJTI-GHMZBOCLSA-N 1 0 207.317 1.993 10 30 BDEERO N#Cc1ccc([C@@H]2CSCC[NH2+]2)cc1 ZINC000070588018 361575438 /nfs/dbraw/zinc/57/54/38/361575438.db2.gz RLORCFWBMCPHNK-NSHDSACASA-N 1 0 204.298 1.936 10 30 BDEERO [NH3+]CC#Cc1ccccc1COC[C@@H]1CCOC1 ZINC000049691098 181346213 /nfs/dbraw/zinc/34/62/13/181346213.db2.gz ZZHZWQRSSCGFDO-CYBMUJFWSA-N 1 0 245.322 1.550 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1Cn1ccnc1 ZINC000049610076 181345821 /nfs/dbraw/zinc/34/58/21/181345821.db2.gz VSBFJAOIILLZQS-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2cccn2)c(F)c1 ZINC000049610054 181346766 /nfs/dbraw/zinc/34/67/66/181346766.db2.gz LKFHOKJMRWNSQV-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO [NH3+]CC#Cc1cc(Cn2cccn2)ccc1F ZINC000049610057 181346778 /nfs/dbraw/zinc/34/67/78/181346778.db2.gz YLNYCYKWNCCJFD-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO [NH3+]CC#Cc1ccccc1Cn1ccccc1=O ZINC000049610041 181347513 /nfs/dbraw/zinc/34/75/13/181347513.db2.gz XTPAVTZNFILBLI-UHFFFAOYSA-N 1 0 238.290 1.207 10 30 BDEERO [NH3+]CC#Cc1ccccc1CNC(=O)C1CCC1 ZINC000049586402 181346391 /nfs/dbraw/zinc/34/63/91/181346391.db2.gz WWIBYCLXSBIEHG-UHFFFAOYSA-N 1 0 242.322 1.413 10 30 BDEERO [NH3+]CC#Cc1cnc(NC(=O)C2CCCC2)s1 ZINC000037550689 181348801 /nfs/dbraw/zinc/34/88/01/181348801.db2.gz JAKDZGZOQKGFBZ-UHFFFAOYSA-N 1 0 249.339 1.582 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000600864066 364212345 /nfs/dbraw/zinc/21/23/45/364212345.db2.gz WNABSQVDYQJFCV-CABZTGNLSA-N 1 0 230.315 1.293 10 30 BDEERO CN(CCOCC[NH3+])c1ccc(C#N)cc1F ZINC000600956454 364373227 /nfs/dbraw/zinc/37/32/27/364373227.db2.gz RTNQLLRMZMXUOA-UHFFFAOYSA-N 1 0 237.278 1.109 10 30 BDEERO N#Cc1ccc([N+](=O)[O-])c(NCC[NH2+]C2CC2)c1 ZINC000130693248 364523773 /nfs/dbraw/zinc/52/37/73/364523773.db2.gz SSWXZRONILDJDK-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO C=C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000382595877 367546349 /nfs/dbraw/zinc/54/63/49/367546349.db2.gz LRQZZCWDNAZUOM-GFCCVEGCSA-N 1 0 208.305 1.307 10 30 BDEERO N#CC1(c2ccccn2)CCN(CCC[NH3+])CC1 ZINC000138163625 368412834 /nfs/dbraw/zinc/41/28/34/368412834.db2.gz LMQZTXSXXHTDFK-UHFFFAOYSA-N 1 0 244.342 1.288 10 30 BDEERO CC[C@@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC000122939543 368967577 /nfs/dbraw/zinc/96/75/77/368967577.db2.gz QZMOCESVWSCCME-NEPJUHHUSA-N 1 0 230.315 1.517 10 30 BDEERO CC[NH2+][C@H](C)CNc1ccc(C#N)nc1 ZINC000387653006 369000465 /nfs/dbraw/zinc/00/04/65/369000465.db2.gz LBHDWNRMXIFLQY-SECBINFHSA-N 1 0 204.277 1.363 10 30 BDEERO C[NH2+]CCC1CCN(c2cncc(C#N)n2)CC1 ZINC000401479493 369364807 /nfs/dbraw/zinc/36/48/07/369364807.db2.gz OURTYHZPRZVPDN-UHFFFAOYSA-N 1 0 245.330 1.174 10 30 BDEERO C=CCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404079309 369419082 /nfs/dbraw/zinc/41/90/82/369419082.db2.gz OTHUZUCDTGCGSU-NEPJUHHUSA-N 1 0 210.321 1.015 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nnc(C)c(C)c1C#N ZINC000600952563 369577587 /nfs/dbraw/zinc/57/75/87/369577587.db2.gz ZRQUQUYRSBLYRL-NWDGAFQWSA-N 1 0 245.330 1.518 10 30 BDEERO Cc1ccnc(N2CCCCC[C@H]([NH3+])C2)c1C#N ZINC000600958944 369574916 /nfs/dbraw/zinc/57/49/16/369574916.db2.gz MXYSYXAZXYRSBW-LBPRGKRZSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1C#N ZINC000600955264 369578241 /nfs/dbraw/zinc/57/82/41/369578241.db2.gz LJXCBSDMESQJSV-JOYOIKCWSA-N 1 0 230.315 1.236 10 30 BDEERO Cc1nc(N[C@H]2CC[C@H](C)[NH2+]C2)ccc1C#N ZINC000600955263 369578465 /nfs/dbraw/zinc/57/84/65/369578465.db2.gz LJXCBSDMESQJSV-CABZTGNLSA-N 1 0 230.315 1.236 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)cc(C#N)n1 ZINC000600960924 369580362 /nfs/dbraw/zinc/58/03/62/369580362.db2.gz FVLXFOVWTINISD-KOLCDFICSA-N 1 0 230.315 1.293 10 30 BDEERO Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)cc(C#N)n1 ZINC000600962795 369581178 /nfs/dbraw/zinc/58/11/78/369581178.db2.gz MJJRXLZQTLUCJC-VHSXEESVSA-N 1 0 216.288 1.188 10 30 BDEERO Cc1ccnc(N2C[C@H]([NH3+])C[C@@H]2C)c1C#N ZINC000600962831 369582752 /nfs/dbraw/zinc/58/27/52/369582752.db2.gz NKNAPFSUGAQSKG-VHSXEESVSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000602589699 369818388 /nfs/dbraw/zinc/81/83/88/369818388.db2.gz BSZGCXIQUKVECV-GWCFXTLKSA-N 1 0 243.310 1.225 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc(C#N)cc1F ZINC000082579398 371011232 /nfs/dbraw/zinc/01/12/32/371011232.db2.gz BHQHRJAZAUIGPD-VIFPVBQESA-N 1 0 207.252 1.847 10 30 BDEERO CC[N@@H+]1CC[C@H](Nc2ccc(C#N)c(C)n2)C1 ZINC000389291637 371127821 /nfs/dbraw/zinc/12/78/21/371127821.db2.gz XTHZKTSLVUGFPD-LBPRGKRZSA-N 1 0 230.315 1.190 10 30 BDEERO CCc1nnc(NC[C@@H](C)[NH3+])c(C#N)c1CC ZINC000124176894 371160311 /nfs/dbraw/zinc/16/03/11/371160311.db2.gz XJDXNIAMGLGNES-MRVPVSSYSA-N 1 0 233.319 1.232 10 30 BDEERO N#Cc1cccc(NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000131295410 371583142 /nfs/dbraw/zinc/58/31/42/371583142.db2.gz GVOYCJFGDOSRMR-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131794412 371676677 /nfs/dbraw/zinc/67/66/77/371676677.db2.gz OCOLJTGNXCTYMF-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131811965 371683091 /nfs/dbraw/zinc/68/30/91/371683091.db2.gz KGZMMIBABDCBMM-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(C#N)cc2F)CCO1 ZINC000132984665 371964164 /nfs/dbraw/zinc/96/41/64/371964164.db2.gz HAGJBFNBARIRBX-ZANVPECISA-N 1 0 249.289 1.250 10 30 BDEERO N#Cc1cc(F)cc(CSC(N)=[NH2+])c1 ZINC000163588415 372015847 /nfs/dbraw/zinc/01/58/47/372015847.db2.gz UOMILDXPMLESBB-UHFFFAOYSA-N 1 0 209.249 1.824 10 30 BDEERO CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000217875130 372022545 /nfs/dbraw/zinc/02/25/45/372022545.db2.gz CIIPMDOWIZICCM-WOPDTQHZSA-N 1 0 210.321 1.819 10 30 BDEERO NN=C(N)c1cc(Cl)ccc1Cl ZINC000042038449 374240471 /nfs/dbraw/zinc/24/04/71/374240471.db2.gz CSDBKQJMFIJMTO-UHFFFAOYSA-N 1 0 204.060 1.572 10 30 BDEERO CCCOCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611042 169310023 /nfs/dbraw/zinc/31/00/23/169310023.db2.gz YMHFFPYHRHZGHU-UHFFFAOYSA-N 1 0 233.311 1.802 10 30 BDEERO C#CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248819039 533011442 /nfs/dbraw/zinc/01/14/42/533011442.db2.gz IJEUABQIPNIRPM-OLZOCXBDSA-N 1 0 234.343 1.485 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccccc2C#N)C1 ZINC000334747726 383946822 /nfs/dbraw/zinc/94/68/22/383946822.db2.gz VQKMCZAKRUYVHX-SMDDNHRTSA-N 1 0 230.311 1.761 10 30 BDEERO CNC(=O)CCNc1cc(C)nc(C)c1C#N ZINC000157422580 384448923 /nfs/dbraw/zinc/44/89/23/384448923.db2.gz VHQYTFQHGHZLIQ-UHFFFAOYSA-N 1 0 232.287 1.118 10 30 BDEERO C=C(CC)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000313503713 384433875 /nfs/dbraw/zinc/43/38/75/384433875.db2.gz VTOGKTUACQQEJC-UHFFFAOYSA-N 1 0 223.320 1.793 10 30 BDEERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000300865071 384614995 /nfs/dbraw/zinc/61/49/95/384614995.db2.gz ONUUFHOQOGJCEE-WISYIIOYSA-N 1 0 208.305 1.693 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ccnc(C#N)c2)C1 ZINC000071130150 384640622 /nfs/dbraw/zinc/64/06/22/384640622.db2.gz AXQSNBCDDFSSGT-GFCCVEGCSA-N 1 0 216.288 1.094 10 30 BDEERO CCOCC[N@@H+]1CCN(CCCC#N)C[C@@H]1C ZINC000105834999 384802116 /nfs/dbraw/zinc/80/21/16/384802116.db2.gz QWRYNIJWVSURLQ-ZDUSSCGKSA-N 1 0 239.363 1.333 10 30 BDEERO N#Cc1cccc([C@@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536952141 384804234 /nfs/dbraw/zinc/80/42/34/384804234.db2.gz BBGKJLVBFAUFSY-CYBMUJFWSA-N 1 0 230.311 1.763 10 30 BDEERO C=C(Cl)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246095026 385107010 /nfs/dbraw/zinc/10/70/10/385107010.db2.gz HOIBAHJZSKFVQF-ZYHUDNBSSA-N 1 0 244.766 1.391 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802962 533112239 /nfs/dbraw/zinc/11/22/39/533112239.db2.gz FBGROWWSYNQDRQ-LBPRGKRZSA-N 1 0 230.315 1.010 10 30 BDEERO C=CCC[C@H](O)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000247356707 385327307 /nfs/dbraw/zinc/32/73/07/385327307.db2.gz KCHBGXASGPCJLP-KGLIPLIRSA-N 1 0 240.391 1.730 10 30 BDEERO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])cc(C#N)n1 ZINC000308235618 385409802 /nfs/dbraw/zinc/40/98/02/385409802.db2.gz AOWYJLOXWJXSSX-BDAKNGLRSA-N 1 0 204.277 1.409 10 30 BDEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000408337253 386128039 /nfs/dbraw/zinc/12/80/39/386128039.db2.gz FNNLNAHHHIETJI-RNJOBUHISA-N 1 0 249.358 1.668 10 30 BDEERO N#CC1(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000425527168 386311744 /nfs/dbraw/zinc/31/17/44/386311744.db2.gz LSRXXHFCVFYHNZ-SDDRHHMPSA-N 1 0 220.316 1.383 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425528351 386318564 /nfs/dbraw/zinc/31/85/64/386318564.db2.gz QJVCXKISLGAAPJ-VOAKCMCISA-N 1 0 222.332 1.771 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C#N)cn1 ZINC000398992112 386409553 /nfs/dbraw/zinc/40/95/53/386409553.db2.gz MJJHMFPRBNQDJJ-QMTHXVAHSA-N 1 0 244.342 1.683 10 30 BDEERO Cc1cc(N(C)CCC[NH3+])c(C#N)cn1 ZINC000399007120 386504371 /nfs/dbraw/zinc/50/43/71/386504371.db2.gz ZJJWZYQFVHHTQE-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000399210190 386454539 /nfs/dbraw/zinc/45/45/39/386454539.db2.gz RBJVQAWUODOBJX-DZGCQCFKSA-N 1 0 229.323 1.883 10 30 BDEERO C/[N+](O)=C/c1ccc(Br)cc1 ZINC000575427743 387055610 /nfs/dbraw/zinc/05/56/10/387055610.db2.gz CNXLESCAXUFVHG-POHAHGRESA-N 1 0 215.070 1.900 10 30 BDEERO Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC000399413971 387059629 /nfs/dbraw/zinc/05/96/29/387059629.db2.gz FJSSXKOLTQRCQQ-LBPRGKRZSA-N 1 0 244.342 1.650 10 30 BDEERO C=CCC[C@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000321428109 387360484 /nfs/dbraw/zinc/36/04/84/387360484.db2.gz LHOYLTFHUFJHMH-GHMZBOCLSA-N 1 0 215.337 1.310 10 30 BDEERO N#CCc1cc(C[NH3+])cc(Br)c1O ZINC000575602943 387367273 /nfs/dbraw/zinc/36/72/73/387367273.db2.gz WNPUXSZZBVGCRL-UHFFFAOYSA-N 1 0 241.088 1.679 10 30 BDEERO COc1c(Cl)cc(C[NH3+])cc1CC#N ZINC000575603018 387368993 /nfs/dbraw/zinc/36/89/93/387368993.db2.gz YKQSHFJELFBYHV-UHFFFAOYSA-N 1 0 210.664 1.873 10 30 BDEERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CO1 ZINC000396801976 387495710 /nfs/dbraw/zinc/49/57/10/387495710.db2.gz LIRFFLMHLYRESI-DCAQKATOSA-N 1 0 208.305 1.836 10 30 BDEERO C=C(Cl)CN1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555655 387694290 /nfs/dbraw/zinc/69/42/90/387694290.db2.gz ANUPGVFIONXTOU-UWVGGRQHSA-N 1 0 200.713 1.280 10 30 BDEERO CC#CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000135614945 388502174 /nfs/dbraw/zinc/50/21/74/388502174.db2.gz ZDFSNRBACVTQRO-GFCCVEGCSA-N 1 0 239.363 1.285 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000308238322 388658555 /nfs/dbraw/zinc/65/85/55/388658555.db2.gz IHPQTFIWOYTNDA-PELKAZGASA-N 1 0 216.288 1.045 10 30 BDEERO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)cc(C#N)n1 ZINC000308236216 388658575 /nfs/dbraw/zinc/65/85/75/388658575.db2.gz BIAJKHGESSZQNR-GWCFXTLKSA-N 1 0 230.315 1.814 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)cc(C#N)n1 ZINC000308236248 388658606 /nfs/dbraw/zinc/65/86/06/388658606.db2.gz BPRAARLIUILAHM-GHMZBOCLSA-N 1 0 230.315 1.435 10 30 BDEERO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248868820 388696517 /nfs/dbraw/zinc/69/65/17/388696517.db2.gz BIBMQOBFBWRRKH-JSGCOSHPSA-N 1 0 236.359 1.895 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262841499 533511085 /nfs/dbraw/zinc/51/10/85/533511085.db2.gz UOVIDDPFNDKERG-NSHDSACASA-N 1 0 237.347 1.284 10 30 BDEERO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185457013 533534466 /nfs/dbraw/zinc/53/44/66/533534466.db2.gz GSZGXFXJUFCRRR-RYUDHWBXSA-N 1 0 224.348 1.751 10 30 BDEERO C[C@@H](CC#N)N1CC[NH+](CC2CC2)CC1 ZINC000042375326 322838135 /nfs/dbraw/zinc/83/81/35/322838135.db2.gz ULYYXUNPBJGJJY-NSHDSACASA-N 1 0 207.321 1.316 10 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N#Cc1ccccc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000227571590 134383584 /nfs/dbraw/zinc/38/35/84/134383584.db2.gz MQTMOYNLGJYXAZ-LBPRGKRZSA-N 1 0 230.311 1.763 10 30 BDEERO C#CCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186894088 134443986 /nfs/dbraw/zinc/44/39/86/134443986.db2.gz DMYAXOPGLFCOBV-XQQFMLRXSA-N 1 0 234.343 1.376 10 30 BDEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000310015705 134497706 /nfs/dbraw/zinc/49/77/06/134497706.db2.gz KVCBMDIQLPOXMI-GRYCIOLGSA-N 1 0 224.348 1.988 10 30 BDEERO C[C@H](C#N)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248471772 135012529 /nfs/dbraw/zinc/01/25/29/135012529.db2.gz VWFFZQWZGSAKTG-BZPMIXESSA-N 1 0 233.359 1.847 10 30 BDEERO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000086500350 135088379 /nfs/dbraw/zinc/08/83/79/135088379.db2.gz UTLHHGDOVUQVNS-JQWIXIFHSA-N 1 0 236.340 1.870 10 30 BDEERO C[C@@H]1C[N@H+](CCCCC#N)C[C@H]1N(C)C ZINC000252493562 135091015 /nfs/dbraw/zinc/09/10/15/135091015.db2.gz SJYQGXPKTQVMAZ-VXGBXAGGSA-N 1 0 209.337 1.562 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C#N ZINC000252674983 135095810 /nfs/dbraw/zinc/09/58/10/135095810.db2.gz WLLDFFGPRQUGEM-QWRGUYRKSA-N 1 0 235.331 1.231 10 30 BDEERO C#CCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000086929564 135103035 /nfs/dbraw/zinc/10/30/35/135103035.db2.gz VUTHDJNYROCSAF-CHWSQXEVSA-N 1 0 206.333 1.568 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CCOC1 ZINC000252933648 135117464 /nfs/dbraw/zinc/11/74/64/135117464.db2.gz DAQQDFWQKFIDLE-FIQHERPVSA-N 1 0 208.305 1.693 10 30 BDEERO C=C(Cl)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261529101 135155089 /nfs/dbraw/zinc/15/50/89/135155089.db2.gz PCGQJVSIJBMEHA-SECBINFHSA-N 1 0 216.712 1.387 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cnc(C#N)cn1 ZINC000087780152 135167939 /nfs/dbraw/zinc/16/79/39/135167939.db2.gz MUIHISOZMMWPKE-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO C[C@@H]1CCN(c2ccnc(C#N)c2)[C@H](C[NH3+])C1 ZINC000261539922 135178499 /nfs/dbraw/zinc/17/84/99/135178499.db2.gz CKYNBQSUPQEHEI-MFKMUULPSA-N 1 0 230.315 1.517 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cn2)CC[C@H]1[NH3+] ZINC000261543919 135184817 /nfs/dbraw/zinc/18/48/17/135184817.db2.gz DGNGZBJCQAMKCD-LLVKDONJSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261586595 135227736 /nfs/dbraw/zinc/22/77/36/135227736.db2.gz UMUDFNZCLATEIU-OLZOCXBDSA-N 1 0 242.326 1.307 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@@H]1CCO[C@@H]1C(C)C ZINC000261632148 135241558 /nfs/dbraw/zinc/24/15/58/135241558.db2.gz JSHCXMWYWOFKHR-WDEREUQCSA-N 1 0 227.352 1.360 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCO1)N[C@@H]1C[C@@H]1C ZINC000261791231 135253550 /nfs/dbraw/zinc/25/35/50/135253550.db2.gz QJXSCZIAEWDIKQ-UMNHJUIQSA-N 1 0 225.336 1.129 10 30 BDEERO C[C@@H]1C[C@@H]1NC(NCCc1ccco1)=[NH+]C1CC1 ZINC000262287387 135290583 /nfs/dbraw/zinc/29/05/83/135290583.db2.gz XULMSEMBVSYKBA-MFKMUULPSA-N 1 0 247.342 1.928 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262422319 135296333 /nfs/dbraw/zinc/29/63/33/135296333.db2.gz BNKOKLQFEUOJOZ-AXFHLTTASA-N 1 0 225.336 1.210 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC2(C(F)(F)F)CCC2)N1 ZINC000262472213 135301233 /nfs/dbraw/zinc/30/12/33/135301233.db2.gz BIZMWURJYLIFNR-SSDOTTSWSA-N 1 0 235.253 1.656 10 30 BDEERO C=C(C)CNC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262494300 135302472 /nfs/dbraw/zinc/30/24/72/135302472.db2.gz VZVAIBKXZXCNCD-UHFFFAOYSA-N 1 0 217.263 1.512 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262536028 135304733 /nfs/dbraw/zinc/30/47/33/135304733.db2.gz PUPOIIPURANVBN-GHMZBOCLSA-N 1 0 209.337 1.832 10 30 BDEERO COC1CCC(C)(CNC2=[NH+]CCN2C)CC1 ZINC000262648873 135310921 /nfs/dbraw/zinc/31/09/21/135310921.db2.gz JZALFGHUCJVHKB-UHFFFAOYSA-N 1 0 239.363 1.473 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC#Cc2cccc(F)c2)N1 ZINC000262652183 135311033 /nfs/dbraw/zinc/31/10/33/135311033.db2.gz KSTVXVFKDFOGTB-SNVBAGLBSA-N 1 0 231.274 1.115 10 30 BDEERO CC(C)c1nnc(CNC2=[NH+]CCN2C)s1 ZINC000262668373 135312477 /nfs/dbraw/zinc/31/24/77/135312477.db2.gz PUJLKTVSKJVKCV-UHFFFAOYSA-N 1 0 239.348 1.053 10 30 BDEERO N#Cc1ccc(CNC(=[NH2+])NC2CCCC2)s1 ZINC000263037137 135327945 /nfs/dbraw/zinc/32/79/45/135327945.db2.gz BVPXICRQLQESLA-UHFFFAOYSA-N 1 0 248.355 1.967 10 30 BDEERO CC[C@@]1(C(C)C)C[C@@H]1NC1=[NH+]CCN1C ZINC000263053967 135329888 /nfs/dbraw/zinc/32/98/88/135329888.db2.gz DTKFOTLUVGSGBP-JQWIXIFHSA-N 1 0 209.337 1.702 10 30 BDEERO C[C@@H](CNC(=[NH2+])NC1CCC1)C(F)(F)F ZINC000263064074 135330643 /nfs/dbraw/zinc/33/06/43/135330643.db2.gz FWRYJCMSJHRAKA-LURJTMIESA-N 1 0 223.242 1.642 10 30 BDEERO [NH2+]=C(NC[C@@H]1CC12CC2)NCC1CCC1 ZINC000263097730 135332867 /nfs/dbraw/zinc/33/28/67/135332867.db2.gz JPKJJMXEQFYGAJ-JTQLQIEISA-N 1 0 207.321 1.491 10 30 BDEERO [NH2+]=C(NCc1cnc(C2CC2)o1)NCC1CCC1 ZINC000263132792 135335026 /nfs/dbraw/zinc/33/50/26/135335026.db2.gz NHKNRBSFCVUKSM-UHFFFAOYSA-N 1 0 248.330 1.756 10 30 BDEERO C[C@@H]1CC(CNC2=[NH+]CCCN2C)C[C@@H](C)O1 ZINC000263180613 135337758 /nfs/dbraw/zinc/33/77/58/135337758.db2.gz UFSVFPNGXWMQQC-GHMZBOCLSA-N 1 0 239.363 1.471 10 30 BDEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@H](O)C1 ZINC000263206073 135339330 /nfs/dbraw/zinc/33/93/30/135339330.db2.gz YFJFQGFLQJJXPD-PHIMTYICSA-N 1 0 249.314 1.083 10 30 BDEERO C[NH+]=C(NCCn1cccn1)N[C@@H](C)C(C)C ZINC000263270594 135343468 /nfs/dbraw/zinc/34/34/68/135343468.db2.gz WSLHEECLLKPZBA-NSHDSACASA-N 1 0 237.351 1.093 10 30 BDEERO C[C@@H]1CN(CC2(C#N)CC2)C[C@@H]1[NH+](C)C ZINC000334324128 135352740 /nfs/dbraw/zinc/35/27/40/135352740.db2.gz ZZAGNIKSKIHQEY-MNOVXSKESA-N 1 0 207.321 1.172 10 30 BDEERO C#CCNC[C@@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061823485 166187596 /nfs/dbraw/zinc/18/75/96/166187596.db2.gz BDWYETGANPPPCB-GFCCVEGCSA-N 1 0 208.349 1.720 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000020084767 166192556 /nfs/dbraw/zinc/19/25/56/166192556.db2.gz WJPSKGPCVUPWMU-SECBINFHSA-N 1 0 205.257 1.685 10 30 BDEERO C#Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000062852897 166223127 /nfs/dbraw/zinc/22/31/27/166223127.db2.gz KHVVSBCHTAANCL-OAHLLOKOSA-N 1 0 242.322 1.996 10 30 BDEERO C=CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000308890836 166267495 /nfs/dbraw/zinc/26/74/95/166267495.db2.gz XMCHRKILNFZMMH-PWSUYJOCSA-N 1 0 208.305 1.209 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000070502822 166311510 /nfs/dbraw/zinc/31/15/10/166311510.db2.gz UECBLYLNOFRBJL-NEPJUHHUSA-N 1 0 224.348 1.927 10 30 BDEERO C=CCNC(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000037710556 166371691 /nfs/dbraw/zinc/37/16/91/166371691.db2.gz NODNCPGEWXZCSL-NSHDSACASA-N 1 0 248.326 1.696 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749235 166382369 /nfs/dbraw/zinc/38/23/69/166382369.db2.gz NFFWWBMSORIXPD-LLVKDONJSA-N 1 0 243.310 1.339 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1cccs1 ZINC000076611854 166390863 /nfs/dbraw/zinc/39/08/63/166390863.db2.gz AEOKDQBMVVWBDE-SECBINFHSA-N 1 0 224.329 1.483 10 30 BDEERO CC(C)OCCOc1ccccc1C#CC[NH3+] ZINC000049260986 167249361 /nfs/dbraw/zinc/24/93/61/167249361.db2.gz WSNMPXAGIZDPCC-UHFFFAOYSA-N 1 0 233.311 1.801 10 30 BDEERO CC(C)Oc1ccc(F)cc1C#CC[NH3+] ZINC000037471112 167295920 /nfs/dbraw/zinc/29/59/20/167295920.db2.gz YFUVRRASLYSCHO-UHFFFAOYSA-N 1 0 207.248 1.923 10 30 BDEERO CCC(C)(C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000037569785 168298003 /nfs/dbraw/zinc/29/80/03/168298003.db2.gz TTXAENGAQNXOOI-UHFFFAOYSA-N 1 0 244.338 1.915 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000336696087 411401886 /nfs/dbraw/zinc/40/18/86/411401886.db2.gz ZJRMLFYQODFUFB-FVCCEPFGSA-N 1 0 222.332 1.819 10 30 BDEERO CCNC(=O)[C@@H](C)N[C@H]1CCCCC[C@@H]1C#N ZINC000054826637 170088898 /nfs/dbraw/zinc/08/88/98/170088898.db2.gz BBNINGZBASBYKP-UTUOFQBUSA-N 1 0 237.347 1.573 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890397 170107003 /nfs/dbraw/zinc/10/70/03/170107003.db2.gz CBBZJCCTOQASCY-UWVGGRQHSA-N 1 0 223.320 1.183 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)Nc1sccc1C#N ZINC000061298787 170107247 /nfs/dbraw/zinc/10/72/47/170107247.db2.gz DGNHSQZEZFFPMI-UHFFFAOYSA-N 1 0 237.328 1.946 10 30 BDEERO CCN[C@H](C#N)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104199837 170155777 /nfs/dbraw/zinc/15/57/77/170155777.db2.gz JSJRTPUIEDEINO-STQMWFEESA-N 1 0 239.363 1.237 10 30 BDEERO CC[C@H](C#N)N(C)C1CC[NH+](CC)CC1 ZINC000043556797 171218891 /nfs/dbraw/zinc/21/88/91/171218891.db2.gz JNHLCRFBKAHQMV-LLVKDONJSA-N 1 0 209.337 1.705 10 30 BDEERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1sccc1C#N ZINC000040851975 171372490 /nfs/dbraw/zinc/37/24/90/171372490.db2.gz DFLUJNUMVNVDHM-IONNQARKSA-N 1 0 237.328 1.932 10 30 BDEERO CN1CC[C@H]([NH2+]Cc2ccccc2OCC#N)C1 ZINC000042545617 173151785 /nfs/dbraw/zinc/15/17/85/173151785.db2.gz KDZUVTIAYTVLSN-ZDUSSCGKSA-N 1 0 245.326 1.383 10 30 BDEERO CNC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054828127 173260427 /nfs/dbraw/zinc/26/04/27/173260427.db2.gz FAVXNDWHGLPBND-GHMZBOCLSA-N 1 0 223.320 1.185 10 30 BDEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000061319225 173318335 /nfs/dbraw/zinc/31/83/35/173318335.db2.gz 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10 30 BDEERO COc1cccc2c(NC(N)=[NH2+])nccc12 ZINC000026962810 175300091 /nfs/dbraw/zinc/30/00/91/175300091.db2.gz CSQJHTXXJQTCGX-UHFFFAOYSA-N 1 0 216.244 1.148 10 30 BDEERO C[C@@H](CCC[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000076614356 175665626 /nfs/dbraw/zinc/66/56/26/175665626.db2.gz DRDVKZYBBDTWDV-JTQLQIEISA-N 1 0 231.299 1.872 10 30 BDEERO C[C@@H](C[NH3+])C(=O)N(C)c1ccc(C#N)cc1 ZINC000061980635 175704775 /nfs/dbraw/zinc/70/47/75/175704775.db2.gz DUUTZKIGWBARIY-VIFPVBQESA-N 1 0 217.272 1.116 10 30 BDEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1 ZINC000335658601 176185026 /nfs/dbraw/zinc/18/50/26/176185026.db2.gz UVUQOPNCOREGAB-MFKMUULPSA-N 1 0 215.300 1.968 10 30 BDEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042428745 176196440 /nfs/dbraw/zinc/19/64/40/176196440.db2.gz DTQYZLFDMSLLAP-DDHJBXDOSA-N 1 0 235.331 1.264 10 30 BDEERO C[C@@H]1CN(c2ncccc2C#N)C[C@@H]1[NH+](C)C ZINC000123985287 176320690 /nfs/dbraw/zinc/32/06/90/176320690.db2.gz IYKUBQJGWGIBBG-PWSUYJOCSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[C@@H]1C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586522 176386267 /nfs/dbraw/zinc/38/62/67/176386267.db2.gz QQDRRPLEWWOAHQ-RISCZKNCSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336736349 176455459 /nfs/dbraw/zinc/45/54/59/176455459.db2.gz ITFNWJBAHBHWAK-UWVGGRQHSA-N 1 0 223.320 1.183 10 30 BDEERO C[C@H](C[NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054337786 176657579 /nfs/dbraw/zinc/65/75/79/176657579.db2.gz SHWDSXDIWWCHRL-SSDOTTSWSA-N 1 0 237.690 1.745 10 30 BDEERO C[C@H](C[NH3+])COc1ccc(C#N)c(F)c1 ZINC000075880627 176659273 /nfs/dbraw/zinc/65/92/73/176659273.db2.gz AXHLXFBKRYKPMA-MRVPVSSYSA-N 1 0 208.236 1.671 10 30 BDEERO C[C@H](C[NH3+])N(C)c1cccc(F)c1C#N ZINC000335613281 176660806 /nfs/dbraw/zinc/66/08/06/176660806.db2.gz UMZNJRVTUMJTSH-MRVPVSSYSA-N 1 0 207.252 1.481 10 30 BDEERO C[C@H]([NH3+])[C@@H](n1cnc(C#N)n1)C(C)(C)C ZINC000061841971 176766638 /nfs/dbraw/zinc/76/66/38/176766638.db2.gz WIGFFYNNAXTBRD-IONNQARKSA-N 1 0 207.281 1.084 10 30 BDEERO C[C@H]1CCCC[C@@]1(C#N)N1CC[NH2+]CC1 ZINC000019406950 177084001 /nfs/dbraw/zinc/08/40/01/177084001.db2.gz OZTYRGWEZGSPMH-RYUDHWBXSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(C#N)CC1 ZINC000336488405 177280799 /nfs/dbraw/zinc/28/07/99/177280799.db2.gz MFLBMKFUXGTBJV-NWDGAFQWSA-N 1 0 219.332 1.459 10 30 BDEERO C[C@H]1C[C@H]1C(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037551356 177376915 /nfs/dbraw/zinc/37/69/15/177376915.db2.gz AENNFXABUQRQIR-GXSJLCMTSA-N 1 0 246.285 1.730 10 30 BDEERO CC[NH2+][C@H](C)CNc1cc(C#N)ccn1 ZINC000395656007 266170583 /nfs/dbraw/zinc/17/05/83/266170583.db2.gz BGPYXGSCMFQNCB-SECBINFHSA-N 1 0 204.277 1.363 10 30 BDEERO C=CCCCN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000158397712 487955891 /nfs/dbraw/zinc/95/58/91/487955891.db2.gz FYFXGHDCRXMGNC-LLVKDONJSA-N 1 0 212.337 1.784 10 30 BDEERO C=CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248622159 323028691 /nfs/dbraw/zinc/02/86/91/323028691.db2.gz TXXWNZLGQYVMRE-GRYCIOLGSA-N 1 0 213.321 1.471 10 30 BDEERO C=CCSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567041613 326105069 /nfs/dbraw/zinc/10/50/69/326105069.db2.gz YQSVZFWPWQJZSS-RYUDHWBXSA-N 1 0 228.405 1.883 10 30 BDEERO CC(C)[NH2+]CCCNc1ncccc1C#N ZINC000567455998 326196129 /nfs/dbraw/zinc/19/61/29/326196129.db2.gz ILPXLNWZFXKILI-UHFFFAOYSA-N 1 0 218.304 1.753 10 30 BDEERO CNC(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262257738 536304975 /nfs/dbraw/zinc/30/49/75/536304975.db2.gz FNROHYKLXXDRLW-UHFFFAOYSA-N 1 0 226.349 1.609 10 30 BDEERO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000175397616 534664198 /nfs/dbraw/zinc/66/41/98/534664198.db2.gz ARCHFUJWJFPMOH-GFCCVEGCSA-N 1 0 224.348 1.943 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCC ZINC000309443636 534859821 /nfs/dbraw/zinc/85/98/21/534859821.db2.gz JFERJDAFLVGIOU-NEPJUHHUSA-N 1 0 224.348 1.847 10 30 BDEERO C#C[C@@H]([NH2+]C[C@@H](O)COCCCC)C(C)C ZINC000300905885 527290441 /nfs/dbraw/zinc/29/04/41/527290441.db2.gz LKJZHEAEUVLUCT-CHWSQXEVSA-N 1 0 227.348 1.411 10 30 BDEERO CC[NH+]=C(NC[C@](C)(O)CC)N[C@@H]1C[C@@H]1C ZINC000129261647 535264502 /nfs/dbraw/zinc/26/45/02/535264502.db2.gz DJABTLZUXJUITB-HOSYDEDBSA-N 1 0 227.352 1.111 10 30 BDEERO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1C(N)=NO ZINC000252465447 535514095 /nfs/dbraw/zinc/51/40/95/535514095.db2.gz FOZNJJIBVRUHGM-ZJUUUORDSA-N 1 0 213.325 1.633 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000227488126 536183947 /nfs/dbraw/zinc/18/39/47/536183947.db2.gz SNCDVQCSCRGFSZ-GMXVVIOVSA-N 1 0 237.347 1.335 10 30 BDEERO CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262283245 536305674 /nfs/dbraw/zinc/30/56/74/536305674.db2.gz WEHXZQMDPFMSRG-MUWHJKNJSA-N 1 0 225.242 1.355 10 30 BDEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])N(C)C ZINC000262518287 537105712 /nfs/dbraw/zinc/10/57/12/537105712.db2.gz HHMSFRDPAKXLQP-GXTWGEPZSA-N 1 0 247.342 1.602 10 30 BDEERO Cc1nc(C#N)cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000308469059 631356215 /nfs/dbraw/zinc/35/62/15/631356215.db2.gz JWSAEDYNIFAFEL-JOYOIKCWSA-N 1 0 245.330 1.043 10 30 BDEERO C[C@H]([NH3+])CN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000310271848 632714932 /nfs/dbraw/zinc/71/49/32/632714932.db2.gz IQAAEFXEBCLGDY-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000149581844 638658387 /nfs/dbraw/zinc/65/83/87/638658387.db2.gz GLJCVTPTXPXQQJ-GDLCADMTSA-N 1 0 246.310 1.359 10 30 BDEERO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000306766617 643242099 /nfs/dbraw/zinc/24/20/99/643242099.db2.gz BNARTDHUJKFMJH-AXFHLTTASA-N 1 0 215.724 1.832 10 30 BDEERO CC(=O)[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000082644699 643359459 /nfs/dbraw/zinc/35/94/59/643359459.db2.gz ROGHBFSCGPILGI-GFCCVEGCSA-N 1 0 208.305 1.981 10 30 BDEERO N#Cc1sc(NC2CC[NH2+]CC2)nc1Cl ZINC000236075449 643584732 /nfs/dbraw/zinc/58/47/32/643584732.db2.gz HHGXGRXCUCGALJ-UHFFFAOYSA-N 1 0 242.735 1.832 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1ccnc(C#N)c1 ZINC000071190219 643642101 /nfs/dbraw/zinc/64/21/01/643642101.db2.gz SYXHXUSGIOSEEC-NSHDSACASA-N 1 0 230.315 1.341 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1nc(Cl)c(C#N)s1 ZINC000702669070 712059464 /nfs/dbraw/zinc/05/94/64/712059464.db2.gz HZEIYBNINYBZNS-RITPCOANSA-N 1 0 242.735 1.594 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724611930 710743023 /nfs/dbraw/zinc/74/30/23/710743023.db2.gz ZOFJNHZLNNMIKX-VLJOUNFMSA-N 1 0 236.315 1.072 10 30 BDEERO N#Cc1cnccc1N1CC[C@H](CC[NH3+])C1 ZINC000723685349 711534114 /nfs/dbraw/zinc/53/41/14/711534114.db2.gz GUUNAMOABIICAI-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1nccc(C)c1C#N ZINC000135199193 711596257 /nfs/dbraw/zinc/59/62/57/711596257.db2.gz VKZILYKLNRQTMV-GFCCVEGCSA-N 1 0 244.342 1.840 10 30 BDEERO N#Cc1cncc(C[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000721540624 711620215 /nfs/dbraw/zinc/62/02/15/711620215.db2.gz MFJKKOGMLUCLEF-NSHDSACASA-N 1 0 231.299 1.158 10 30 BDEERO N#Cc1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000715095678 712508505 /nfs/dbraw/zinc/50/85/05/712508505.db2.gz DLMVLWJDWLSZCH-UHFFFAOYSA-N 1 0 229.283 1.025 10 30 BDEERO CC1(C)CN(c2cccnc2C#N)C[C@H]1[NH3+] ZINC000720746966 712863408 /nfs/dbraw/zinc/86/34/08/712863408.db2.gz IALOUIRAWVVHKN-LLVKDONJSA-N 1 0 216.288 1.127 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(C#N)nn1 ZINC000721123081 712891459 /nfs/dbraw/zinc/89/14/59/712891459.db2.gz VPKVYVHOZCEZOU-NXEZZACHSA-N 1 0 231.303 1.006 10 30 BDEERO C[N+](C)(CC#N)[C@H](C#N)c1ccccc1 ZINC000135695626 717150597 /nfs/dbraw/zinc/15/05/97/717150597.db2.gz IDJMPIXFVWIEDO-GFCCVEGCSA-N 1 0 200.265 1.851 10 30 BDEERO C#CCCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962038 538909016 /nfs/dbraw/zinc/90/90/16/538909016.db2.gz SEJFLBTZCJGOFQ-WFASDCNBSA-N 1 0 245.322 1.902 10 30 BDEERO C#CCCC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961991 538909220 /nfs/dbraw/zinc/90/92/20/538909220.db2.gz QUDFRMSRUMIGPL-CQSZACIVSA-N 1 0 244.338 1.428 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000119293241 136221908 /nfs/dbraw/zinc/22/19/08/136221908.db2.gz UTFNDEHQKIREKQ-ZDUSSCGKSA-N 1 0 217.316 1.852 10 30 BDEERO C=CCCOCCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000182816412 136228578 /nfs/dbraw/zinc/22/85/78/136228578.db2.gz NIKYEASSRVVTCE-WDEREUQCSA-N 1 0 228.336 1.069 10 30 BDEERO Cc1c([C@H](C)[NH3+])nnn1-c1cc(C#N)ccc1C ZINC000050436682 178366379 /nfs/dbraw/zinc/36/63/79/178366379.db2.gz BSCPWMBTYWQQGZ-VIFPVBQESA-N 1 0 241.298 1.776 10 30 BDEERO Cc1cc(N(C)CC[NH+](C)C)c(C#N)c(C)n1 ZINC000157437315 398260453 /nfs/dbraw/zinc/26/04/53/398260453.db2.gz VVEDQSBJFAXACF-UHFFFAOYSA-N 1 0 232.331 1.568 10 30 BDEERO CCC(CC)[N@H+](CCOC)[C@H](C)C/C(N)=N/O ZINC000042679918 168376506 /nfs/dbraw/zinc/37/65/06/168376506.db2.gz UTFCNWUIVSFWBO-SNVBAGLBSA-N 1 0 245.367 1.648 10 30 BDEERO N#Cc1ccnc(O[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000299892175 342692723 /nfs/dbraw/zinc/69/27/23/342692723.db2.gz PWBGRESZOUBFPR-XYPYZODXSA-N 1 0 217.272 1.602 10 30 BDEERO CC(C)(C)C(=O)C[n+]1ccc(/C=N/O)cc1 ZINC000001920138 342713684 /nfs/dbraw/zinc/71/36/84/342713684.db2.gz DOVGKEZPAQXELV-UHFFFAOYSA-O 1 0 221.280 1.397 10 30 BDEERO CC[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000389177949 342800611 /nfs/dbraw/zinc/80/06/11/342800611.db2.gz PNZJHYSSCOOIHA-ZDUSSCGKSA-N 1 0 247.317 1.881 10 30 BDEERO C=C(C)C[C@@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000130860886 398285040 /nfs/dbraw/zinc/28/50/40/398285040.db2.gz ZPVOGKMEOBHTMS-NXEZZACHSA-N 1 0 217.334 1.247 10 30 BDEERO N#CCNC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216811893 342841016 /nfs/dbraw/zinc/84/10/16/342841016.db2.gz ANTQYOIVHVMJDV-UHFFFAOYSA-N 1 0 247.342 1.040 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1ncccc1C#N ZINC000087780001 398305769 /nfs/dbraw/zinc/30/57/69/398305769.db2.gz XABUNQHZWJRTMS-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO Cn1cc[n+](C)c1COc1ccc(/C=N/O)cc1 ZINC000106106998 398326410 /nfs/dbraw/zinc/32/64/10/398326410.db2.gz XUNSJOGPFZUWRO-NTEUORMPSA-O 1 0 246.290 1.237 10 30 BDEERO CC[C@@]1(C(=O)C2=CCCCO2)CC[NH2+]C1 ZINC000167696264 346890702 /nfs/dbraw/zinc/89/07/02/346890702.db2.gz GLXRGIMGMIHGMS-GFCCVEGCSA-N 1 0 209.289 1.640 10 30 BDEERO [NH3+][C@@H]1CCCC[C@H]1C(=O)C1=CCCCO1 ZINC000167701587 346892451 /nfs/dbraw/zinc/89/24/51/346892451.db2.gz KHUFASZHAWMTKE-NXEZZACHSA-N 1 0 209.289 1.767 10 30 BDEERO [NH3+]CC#Cc1ccc(Br)cn1 ZINC000140189215 343071312 /nfs/dbraw/zinc/07/13/12/343071312.db2.gz SWAUJHLQDMBBBN-UHFFFAOYSA-N 1 0 211.062 1.154 10 30 BDEERO C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000339086764 136271363 /nfs/dbraw/zinc/27/13/63/136271363.db2.gz WVDLQJJPXYKUJT-QWRGUYRKSA-N 1 0 212.293 1.074 10 30 BDEERO C=CC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000122412780 343159261 /nfs/dbraw/zinc/15/92/61/343159261.db2.gz CKGFHNJDZPCZDV-QWRGUYRKSA-N 1 0 210.321 1.457 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000311242926 136275823 /nfs/dbraw/zinc/27/58/23/136275823.db2.gz YBHCMHLCEIFXIF-JTQLQIEISA-N 1 0 244.342 1.981 10 30 BDEERO O=CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000054238954 343422656 /nfs/dbraw/zinc/42/26/56/343422656.db2.gz FUHWJGFTPCXRSD-VXGBXAGGSA-N 1 0 211.305 1.201 10 30 BDEERO C=C(C)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105909434 136363392 /nfs/dbraw/zinc/36/33/92/136363392.db2.gz RPTWWQAMWXCJBH-UHFFFAOYSA-N 1 0 246.358 1.873 10 30 BDEERO C#CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037872127 166188875 /nfs/dbraw/zinc/18/88/75/166188875.db2.gz ODSNQMFIELDYEI-NSHDSACASA-N 1 0 211.211 1.221 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C#N)ncn1 ZINC000310696077 343561817 /nfs/dbraw/zinc/56/18/17/343561817.db2.gz PMYMRGRBBMIUTM-CMPLNLGQSA-N 1 0 243.314 1.021 10 30 BDEERO COC(=O)C[C@@H]([NH3+])c1ccc(C#N)c(F)c1 ZINC000205411450 343626618 /nfs/dbraw/zinc/62/66/18/343626618.db2.gz DEMGBZMBIBPQHB-SNVBAGLBSA-N 1 0 222.219 1.260 10 30 BDEERO N#Cc1csc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179550227 346987947 /nfs/dbraw/zinc/98/79/47/346987947.db2.gz GUIZNOIVXJCSBB-GFCCVEGCSA-N 1 0 247.367 1.900 10 30 BDEERO N#C[C@H](c1cccs1)N1CC(C[NH3+])C1 ZINC000409440644 343852969 /nfs/dbraw/zinc/85/29/69/343852969.db2.gz LVNYXEUEKJURDW-SECBINFHSA-N 1 0 207.302 1.203 10 30 BDEERO N#Cc1c(F)cccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209508176 349879026 /nfs/dbraw/zinc/87/90/26/349879026.db2.gz ANMZIWUACJPPTJ-RNCFNFMXSA-N 1 0 231.274 1.495 10 30 BDEERO C#CCn1cc(C[NH3+])c(-c2ccccn2)n1 ZINC000409437525 343843837 /nfs/dbraw/zinc/84/38/37/343843837.db2.gz HTHWARAPRJGQRF-UHFFFAOYSA-N 1 0 212.256 1.037 10 30 BDEERO Cc1cc(C)c(C#N)c(NCC[NH2+]C2CC2)n1 ZINC000054267789 343884648 /nfs/dbraw/zinc/88/46/48/343884648.db2.gz UVPWQLNHPGWXFL-UHFFFAOYSA-N 1 0 230.315 1.734 10 30 BDEERO CC1(C)N(O)C2=C(/C(=N\O)CCC2)[N+]1=O ZINC000585087149 344122750 /nfs/dbraw/zinc/12/27/50/344122750.db2.gz POMJHASSMVVANX-POHAHGRESA-O 1 0 212.229 1.432 10 30 BDEERO C[NH2+]CC1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000308240562 529959085 /nfs/dbraw/zinc/95/90/85/529959085.db2.gz MYKHONZVYGBDEZ-UHFFFAOYSA-N 1 0 244.342 1.698 10 30 BDEERO N#Cc1ccc(Cl)c(NCCC[NH3+])c1 ZINC000135311125 344157177 /nfs/dbraw/zinc/15/71/77/344157177.db2.gz JLEVGKQYULBHMR-UHFFFAOYSA-N 1 0 209.680 1.972 10 30 BDEERO [NH3+]CC#Cc1cccc(Br)c1F ZINC000236203075 344317255 /nfs/dbraw/zinc/31/72/55/344317255.db2.gz AZPWFUVHTZFUPU-UHFFFAOYSA-N 1 0 228.064 1.898 10 30 BDEERO Cc1cc(N2CCCCC[C@H]([NH3+])C2)c(C#N)cn1 ZINC000600958188 344461039 /nfs/dbraw/zinc/46/10/39/344461039.db2.gz AQWAHPJJIGQMTJ-ZDUSSCGKSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381373646 344498805 /nfs/dbraw/zinc/49/88/05/344498805.db2.gz NGZMTCNBAQGKAJ-RKDXNWHRSA-N 1 0 204.277 1.409 10 30 BDEERO C[C@@H](Nc1c(C#N)cnc2ccccc21)[C@H](C)[NH3+] ZINC000381726608 344540685 /nfs/dbraw/zinc/54/06/85/344540685.db2.gz KMLLZKFYZCAVAC-VHSXEESVSA-N 1 0 240.310 1.676 10 30 BDEERO C[C@H](C#N)N(CC[NH3+])Cc1ccccc1 ZINC000235428896 344909796 /nfs/dbraw/zinc/90/97/96/344909796.db2.gz QMJVNDUHAXXOQZ-LLVKDONJSA-N 1 0 203.289 1.359 10 30 BDEERO C[C@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000235470595 344922654 /nfs/dbraw/zinc/92/26/54/344922654.db2.gz ATEHZHLTMRDHJP-SCSAIBSYSA-N 1 0 216.697 1.427 10 30 BDEERO C[C@@H]1C[N@H+](C)CCN1C/C=C/CS ZINC000235485534 344924098 /nfs/dbraw/zinc/92/40/98/344924098.db2.gz YWMPVXWYJQLSOR-HMDXOVGESA-N 1 0 200.351 1.108 10 30 BDEERO C[C@H]([NH3+])CCNc1nc(Cl)c(C#N)s1 ZINC000235489883 344924109 /nfs/dbraw/zinc/92/41/09/344924109.db2.gz DTWYGODGVVVORB-YFKPBYRVSA-N 1 0 230.724 1.817 10 30 BDEERO C=CCn1c[nH+]c([C@@H]2CCSC2)c1N ZINC000224662364 344965108 /nfs/dbraw/zinc/96/51/08/344965108.db2.gz JAQXLQVIIYMENS-MRVPVSSYSA-N 1 0 209.318 1.872 10 30 BDEERO C[NH+](C)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000260501570 345146432 /nfs/dbraw/zinc/14/64/32/345146432.db2.gz TVPXUGBYYCLDSV-IJLUTSLNSA-N 1 0 207.321 1.315 10 30 BDEERO Cn1cncc1[C@](C)([NH3+])c1ccc(C#N)c(F)c1 ZINC000143347558 345865221 /nfs/dbraw/zinc/86/52/21/345865221.db2.gz JFKANKQIIHQENU-CYBMUJFWSA-N 1 0 244.273 1.653 10 30 BDEERO C#CCCN1CCC([NH+]2CCCC2)CC1 ZINC000146705957 345984491 /nfs/dbraw/zinc/98/44/91/345984491.db2.gz NMTQQLAGZCOQFF-UHFFFAOYSA-N 1 0 206.333 1.570 10 30 BDEERO N#Cc1sc(NC2CC([NH3+])C2)nc1Cl ZINC000236172203 346205315 /nfs/dbraw/zinc/20/53/15/346205315.db2.gz QLDUUDAAYHSKJA-UHFFFAOYSA-N 1 0 228.708 1.570 10 30 BDEERO C#C[C@@H]([NH3+])c1ccoc1Br ZINC000236301711 346225557 /nfs/dbraw/zinc/22/55/57/346225557.db2.gz HTIWDDWUOBIHBE-ZCFIWIBFSA-N 1 0 200.035 1.675 10 30 BDEERO CC(C)(CO)Oc1ccccc1C#CC[NH3+] ZINC000201414855 346534154 /nfs/dbraw/zinc/53/41/54/346534154.db2.gz IPJACAHMZZDLOY-UHFFFAOYSA-N 1 0 219.284 1.147 10 30 BDEERO Cc1cc(NC[C@H]2CCCC[NH2+]2)cc(C#N)n1 ZINC000308241393 346764852 /nfs/dbraw/zinc/76/48/52/346764852.db2.gz PCVGQLNPGXKFOY-LLVKDONJSA-N 1 0 230.315 1.816 10 30 BDEERO C[C@@]1(CNc2cncc(C#N)n2)CCC[NH2+]C1 ZINC000401510867 346765038 /nfs/dbraw/zinc/76/50/38/346765038.db2.gz MFVHIBJLTBHOHJ-GFCCVEGCSA-N 1 0 231.303 1.150 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](CC2(CC#N)CC2)C1 ZINC000401518089 346765686 /nfs/dbraw/zinc/76/56/86/346765686.db2.gz AFSRCWDPJYAHPM-QWRGUYRKSA-N 1 0 208.305 1.383 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cncc(C#N)n1 ZINC000401529156 346773250 /nfs/dbraw/zinc/77/32/50/346773250.db2.gz VKZUJZIKDXEJNH-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO C[C@H](Nc1cncc(C#N)n1)[C@H]1CCC[NH2+]C1 ZINC000401505128 346752336 /nfs/dbraw/zinc/75/23/36/346752336.db2.gz JNCQRNXKGQHWBI-UWVGGRQHSA-N 1 0 231.303 1.148 10 30 BDEERO Cc1cccc([C@@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000037940376 179176886 /nfs/dbraw/zinc/17/68/86/179176886.db2.gz AAUXFDAUAUGRDU-CQSZACIVSA-N 1 0 229.327 1.855 10 30 BDEERO C#C[C@@H](CC)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000390622733 259395911 /nfs/dbraw/zinc/39/59/11/259395911.db2.gz IZPDMFHTOWIJLK-JTQLQIEISA-N 1 0 218.304 1.044 10 30 BDEERO Cc1cc(N2CCC(C)([NH3+])CC2)cc(C#N)n1 ZINC000591435696 347659818 /nfs/dbraw/zinc/65/98/18/347659818.db2.gz TYSNDTYMGBLURM-UHFFFAOYSA-N 1 0 230.315 1.579 10 30 BDEERO Cc1ccccc1C[N@@H+](C)C[C@@H](C)/C(N)=N/O ZINC000042307375 179269278 /nfs/dbraw/zinc/26/92/78/179269278.db2.gz CHIHGJHYQFOENV-LLVKDONJSA-N 1 0 235.331 1.809 10 30 BDEERO CN1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)CC1=O ZINC000594983529 348164714 /nfs/dbraw/zinc/16/47/14/348164714.db2.gz OQAUBQPAKJDGQG-ZDUSSCGKSA-N 1 0 243.310 1.126 10 30 BDEERO CN1C[C@H](C[NH2+]Cc2cccc(C#N)c2)CC1=O ZINC000594981910 348164846 /nfs/dbraw/zinc/16/48/46/348164846.db2.gz CASVXMZBFQIKGI-ZDUSSCGKSA-N 1 0 243.310 1.126 10 30 BDEERO C=CCCSCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000595256557 348204711 /nfs/dbraw/zinc/20/47/11/348204711.db2.gz NILYKTFHMGTERM-JTQLQIEISA-N 1 0 228.361 1.021 10 30 BDEERO C[C@]1(C#N)CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000595841392 348376354 /nfs/dbraw/zinc/37/63/54/348376354.db2.gz LKRPZRGFEKCAPI-RWMBFGLXSA-N 1 0 222.332 1.773 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000596031150 348426763 /nfs/dbraw/zinc/42/67/63/348426763.db2.gz AFUCVMOPUUYYNQ-SSDOTTSWSA-N 1 0 225.242 1.856 10 30 BDEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596033280 348428030 /nfs/dbraw/zinc/42/80/30/348428030.db2.gz SOSUFFUKAQETSP-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000597198791 348674680 /nfs/dbraw/zinc/67/46/80/348674680.db2.gz PUTLPCJYMUQOTO-GXTWGEPZSA-N 1 0 249.358 1.669 10 30 BDEERO C=C(C)C(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616573913 349073828 /nfs/dbraw/zinc/07/38/28/349073828.db2.gz UVJIXDUPZANQGF-JTQLQIEISA-N 1 0 218.300 1.899 10 30 BDEERO CCC[N@@H+]1CCc2onc(CS)c2C1 ZINC000725253202 538036097 /nfs/dbraw/zinc/03/60/97/538036097.db2.gz ZAUJQYVJCBVFBX-UHFFFAOYSA-N 1 0 212.318 1.873 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2cccc(F)c2)C1 ZINC000409437677 350137916 /nfs/dbraw/zinc/13/79/16/350137916.db2.gz ATWHMRQDYSUXEA-LBPRGKRZSA-N 1 0 219.263 1.294 10 30 BDEERO Cc1nccn1Cc1cccc(C#CC[NH3+])c1 ZINC000049610090 180270419 /nfs/dbraw/zinc/27/04/19/180270419.db2.gz CLYKCPRKZREKSD-UHFFFAOYSA-N 1 0 225.295 1.550 10 30 BDEERO C=CCCCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384343388 350290437 /nfs/dbraw/zinc/29/04/37/350290437.db2.gz CSCVPMBUIWZTBB-RYUDHWBXSA-N 1 0 224.348 1.799 10 30 BDEERO CC(C)NC(=[NH2+])NCc1ccc(C#N)s1 ZINC000263078104 535124465 /nfs/dbraw/zinc/12/44/65/535124465.db2.gz HKMIUPWSVILUSO-UHFFFAOYSA-N 1 0 222.317 1.432 10 30 BDEERO Cc1nn(C)c(N[C@H]2CCCC[C@@H]2[NH3+])c1C#N ZINC000104309456 180360786 /nfs/dbraw/zinc/36/07/86/180360786.db2.gz XSFGEINSKOSHPT-QWRGUYRKSA-N 1 0 233.319 1.282 10 30 BDEERO Cc1nnc(N[C@@H](C)CCC[NH3+])c(C#N)c1C ZINC000310387450 180435879 /nfs/dbraw/zinc/43/58/79/180435879.db2.gz CTGYFHCTLUZVTO-QMMMGPOBSA-N 1 0 233.319 1.504 10 30 BDEERO CCC([NH3+])(CC)CNc1cc(C#N)ncn1 ZINC000309450949 323410996 /nfs/dbraw/zinc/41/09/96/323410996.db2.gz QYJNXRWJEZIIAC-UHFFFAOYSA-N 1 0 219.292 1.278 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000401360962 350780369 /nfs/dbraw/zinc/78/03/69/350780369.db2.gz FCWXGRNTMFFDHZ-BBBLOLIVSA-N 1 0 247.180 1.966 10 30 BDEERO N#Cc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616607732 350802191 /nfs/dbraw/zinc/80/21/91/350802191.db2.gz LYECOXDHPDCVPP-CYBMUJFWSA-N 1 0 215.300 1.654 10 30 BDEERO N#Cc1ncccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382475564 350839406 /nfs/dbraw/zinc/83/94/06/350839406.db2.gz SPPNGDXWUARYLS-VHSXEESVSA-N 1 0 216.288 1.493 10 30 BDEERO [NH3+]CC1CCC(C(=O)C2=COCC2)CC1 ZINC000306722031 350889635 /nfs/dbraw/zinc/88/96/35/350889635.db2.gz FHFDGWWXWBNTJS-UHFFFAOYSA-N 1 0 209.289 1.625 10 30 BDEERO COC(=O)N1CC[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000616635176 351118625 /nfs/dbraw/zinc/11/86/25/351118625.db2.gz DDJVSJBKYFFJOE-LBPRGKRZSA-N 1 0 245.282 1.271 10 30 BDEERO N#Cc1ccccc1[C@@H]1CC[N@@H+](CCO)C1 ZINC000616626095 351087690 /nfs/dbraw/zinc/08/76/90/351087690.db2.gz QTJRFVYBAPAKLE-GFCCVEGCSA-N 1 0 216.284 1.340 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000383020682 351166453 /nfs/dbraw/zinc/16/64/53/351166453.db2.gz PLGNHNZIYXBKPU-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO CN1CCCOC[C@@H]1c1ccccc1C#N ZINC000616647617 351173947 /nfs/dbraw/zinc/17/39/47/351173947.db2.gz OELRLEBGMNLWGZ-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1ccc([C@@H]2CC[N@H+](CCO)CCO2)cc1 ZINC000616665468 351222637 /nfs/dbraw/zinc/22/26/37/351222637.db2.gz KHFNTLFHUVYNEV-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO C[C@@H]1C[N@H+](CC(C)(C)CS)C[C@@H]1O ZINC000306887207 351294575 /nfs/dbraw/zinc/29/45/75/351294575.db2.gz UFYBUVPJICROKL-BDAKNGLRSA-N 1 0 203.351 1.255 10 30 BDEERO C=C(Cl)CN1CCC[NH2+]C(C)(C)C1 ZINC000168111781 351294755 /nfs/dbraw/zinc/29/47/55/351294755.db2.gz BHNILUKEGAPJSN-UHFFFAOYSA-N 1 0 202.729 1.813 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C ZINC000168319039 351375751 /nfs/dbraw/zinc/37/57/51/351375751.db2.gz GXTFRJPOGZRBPD-AEJSXWLSSA-N 1 0 247.180 1.953 10 30 BDEERO N#C[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC000307102038 351479015 /nfs/dbraw/zinc/47/90/15/351479015.db2.gz ZCOZTDBUKCLUBW-CYBMUJFWSA-N 1 0 227.311 1.232 10 30 BDEERO C#Cc1ccc(OC[C@H]2CCC[NH2+]2)nc1 ZINC000606302536 351553484 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/nfs/dbraw/zinc/07/98/95/360079895.db2.gz PJXDAHWTKGNCDG-SFYZADRCSA-N 1 0 219.126 1.317 10 30 BDEERO CN/C(=[NH+]\C)S[C@@H]1CCCC[C@H]1O ZINC000306519093 360346403 /nfs/dbraw/zinc/34/64/03/360346403.db2.gz IAXKLJUCSRUIHR-HTQZYQBOSA-N 1 0 202.323 1.228 10 30 BDEERO Cc1cc(CSC(N)=[NH+]N)cs1 ZINC000306530288 360376612 /nfs/dbraw/zinc/37/66/12/360376612.db2.gz JLGMNWRZGZKIEL-UHFFFAOYSA-N 1 0 201.320 1.478 10 30 BDEERO N#Cc1cc(C[N@H+]2CC[C@H](CCO)C2)ccn1 ZINC000124019822 360441759 /nfs/dbraw/zinc/44/17/59/360441759.db2.gz GVZZNZZKPPXDJS-LLVKDONJSA-N 1 0 231.299 1.158 10 30 BDEERO C=CCN(CCO)c1ccncc1Cl ZINC000158673488 361207571 /nfs/dbraw/zinc/20/75/71/361207571.db2.gz BOHGRYVOTAROIC-UHFFFAOYSA-N 1 0 212.680 1.720 10 30 BDEERO C=CC[NH+](CC=C)Cc1ccc(=O)n(C)c1 ZINC000065285840 361375047 /nfs/dbraw/zinc/37/50/47/361375047.db2.gz OQZZPWXXFZQAQB-UHFFFAOYSA-N 1 0 218.300 1.559 10 30 BDEERO C[C@@H](CCC#N)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000429695406 201126924 /nfs/dbraw/zinc/12/69/24/201126924.db2.gz HMGBDTFCKBTXSF-NWDGAFQWSA-N 1 0 207.321 1.459 10 30 BDEERO N/C(=N/O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070663332 361706371 /nfs/dbraw/zinc/70/63/71/361706371.db2.gz KAESBAKIUKFGIM-LBPRGKRZSA-N 1 0 233.315 1.645 10 30 BDEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037165132 361710191 /nfs/dbraw/zinc/71/01/91/361710191.db2.gz YWELEYRONQWUBG-UONOGXRCSA-N 1 0 230.311 1.951 10 30 BDEERO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037165058 361710299 /nfs/dbraw/zinc/71/02/99/361710299.db2.gz OEXGZCBONPQIRM-ZIAGYGMSSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2ccccc2=O)cc1 ZINC000049610042 181346403 /nfs/dbraw/zinc/34/64/03/181346403.db2.gz KXXVWXYSGNSSOD-UHFFFAOYSA-N 1 0 238.290 1.207 10 30 BDEERO C[C@@H]1CC[C@@H](Nc2cccnc2C#N)C[NH2+]1 ZINC000600954639 364374775 /nfs/dbraw/zinc/37/47/75/364374775.db2.gz FSUXCHAMZXSWDU-NXEZZACHSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000600960213 364401246 /nfs/dbraw/zinc/40/12/46/364401246.db2.gz BSRQZQLLWTVJBP-JQWIXIFHSA-N 1 0 215.300 1.589 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000600960345 364401836 /nfs/dbraw/zinc/40/18/36/364401836.db2.gz DGVRXOTUMLOOPE-KOLCDFICSA-N 1 0 233.290 1.728 10 30 BDEERO CC#CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245673446 364555133 /nfs/dbraw/zinc/55/51/33/364555133.db2.gz IOABJSKRQXDPKG-VXGBXAGGSA-N 1 0 237.347 1.038 10 30 BDEERO NC(=[NH2+])Nc1ccc(C(F)(F)F)nc1 ZINC000214970777 365400661 /nfs/dbraw/zinc/40/06/61/365400661.db2.gz JYBMBADSIFWWJJ-UHFFFAOYSA-N 1 0 204.155 1.005 10 30 BDEERO N#Cc1ccc(C(=O)C[n+]2cccc(C#N)c2)cc1 ZINC000048522959 368377412 /nfs/dbraw/zinc/37/74/12/368377412.db2.gz WDARZPMWVOYXKJ-UHFFFAOYSA-N 1 0 248.265 1.600 10 30 BDEERO CC[C@H]1CN(c2nc(C)ccc2C#N)CC[C@@H]1[NH3+] ZINC000122940201 368967159 /nfs/dbraw/zinc/96/71/59/368967159.db2.gz SSHFYSNQQMYIAE-AAEUAGOBSA-N 1 0 244.342 1.825 10 30 BDEERO O=C[C@H]1CCCN(Cc2cscn2)C1 ZINC000054219280 368948479 /nfs/dbraw/zinc/94/84/79/368948479.db2.gz OYXWMLNHCRKVDM-VIFPVBQESA-N 1 0 210.302 1.554 10 30 BDEERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037853690 369336188 /nfs/dbraw/zinc/33/61/88/369336188.db2.gz OGLLIAHIHPFVOD-LBPRGKRZSA-N 1 0 248.326 1.686 10 30 BDEERO N#Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)nc1 ZINC000057857699 369455128 /nfs/dbraw/zinc/45/51/28/369455128.db2.gz CHBBLKYJMIZVNC-UHFFFAOYSA-N 1 0 242.326 1.628 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000600956370 369575696 /nfs/dbraw/zinc/57/56/96/369575696.db2.gz AYQRBSKXNBLMCO-WRWORJQWSA-N 1 0 237.253 1.999 10 30 BDEERO Cc1cc(NCCOCCC[NH3+])cc(C#N)n1 ZINC000600954703 369577200 /nfs/dbraw/zinc/57/72/00/369577200.db2.gz GQXKCUNMSNRNPR-UHFFFAOYSA-N 1 0 234.303 1.039 10 30 BDEERO Cc1ccnc(N2CCCCC[C@@H]([NH3+])C2)c1C#N ZINC000600958943 369577252 /nfs/dbraw/zinc/57/72/52/369577252.db2.gz MXYSYXAZXYRSBW-GFCCVEGCSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(C#N)cn1 ZINC000600955822 369576393 /nfs/dbraw/zinc/57/63/93/369576393.db2.gz RQSJGDIIKSSGEZ-JOYOIKCWSA-N 1 0 230.315 1.236 10 30 BDEERO N#Cc1cc(F)ccc1NCCOCCC[NH3+] ZINC000600955279 369576483 /nfs/dbraw/zinc/57/64/83/369576483.db2.gz LSCVGLDHGBAGRH-UHFFFAOYSA-N 1 0 237.278 1.475 10 30 BDEERO C[NH2+]CCOCCNc1cccc(F)c1C#N ZINC000600951488 369574274 /nfs/dbraw/zinc/57/42/74/369574274.db2.gz KQTVNCUCRMCIQF-UHFFFAOYSA-N 1 0 237.278 1.345 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)nc(C#N)c1 ZINC000600951480 369578459 /nfs/dbraw/zinc/57/84/59/369578459.db2.gz KEYDVLKANNGNJF-QWHCGFSZSA-N 1 0 230.315 1.236 10 30 BDEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)nn1 ZINC000600958754 369578564 /nfs/dbraw/zinc/57/85/64/369578564.db2.gz JOYSUALMWCYDIM-SNVBAGLBSA-N 1 0 231.303 1.056 10 30 BDEERO Cc1cc(C#N)nc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000600962517 369581128 /nfs/dbraw/zinc/58/11/28/369581128.db2.gz FLCLNKNXZJYKID-XYPYZODXSA-N 1 0 245.330 1.586 10 30 BDEERO C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000602592767 369823645 /nfs/dbraw/zinc/82/36/45/369823645.db2.gz INVIQNZPYWIUEP-MFKMUULPSA-N 1 0 243.310 1.225 10 30 BDEERO CCc1nc(C#N)cc(N[C@@H]2CC[N@@H+](CC)C2)n1 ZINC000308167198 370106412 /nfs/dbraw/zinc/10/64/12/370106412.db2.gz KONZEDMQXCACLK-SNVBAGLBSA-N 1 0 245.330 1.417 10 30 BDEERO CC#CC[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328652238 371135687 /nfs/dbraw/zinc/13/56/87/371135687.db2.gz WGBNVYITQGTFGS-LBPRGKRZSA-N 1 0 217.316 1.401 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000390264887 371192125 /nfs/dbraw/zinc/19/21/25/371192125.db2.gz PKWAPORAPHFGBI-VXGBXAGGSA-N 1 0 237.347 1.527 10 30 BDEERO CC[C@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131302653 371583861 /nfs/dbraw/zinc/58/38/61/371583861.db2.gz XZRFADNOPGBBJY-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H]([NH3+])CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131299630 371583881 /nfs/dbraw/zinc/58/38/81/371583881.db2.gz NXFCMEXOFVNAGZ-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C=C(C)[C@H]([NH2+]C)[C@@H]1CCCCS1(=O)=O ZINC000131398998 371599555 /nfs/dbraw/zinc/59/95/55/371599555.db2.gz SSYDSXKDPVQIAK-UWVGGRQHSA-N 1 0 217.334 1.118 10 30 BDEERO CNC(=[NH+]N)c1ccc(Br)c(C)c1 ZINC000132110721 371754397 /nfs/dbraw/zinc/75/43/97/371754397.db2.gz QQIAWOLGMGOJIN-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO C=C[C@H]([NH2+]C)[C@H]1SCCS[C@@H]1C ZINC000228115459 371993223 /nfs/dbraw/zinc/99/32/23/371993223.db2.gz BFHVIBFDQJUCQE-VGMNWLOBSA-N 1 0 203.376 1.998 10 30 BDEERO C#CC[C@@H]([NH3+])c1ncccc1Br ZINC000133208165 372005942 /nfs/dbraw/zinc/00/59/42/372005942.db2.gz KMHLEWHQQSYKIL-MRVPVSSYSA-N 1 0 225.089 1.867 10 30 BDEERO C=C([C@H]([NH3+])[C@H]1OCC[C@H]1C)C(F)(F)F ZINC000307759506 372145609 /nfs/dbraw/zinc/14/56/09/372145609.db2.gz RXDPDZGADJTTDC-DTLFHODZSA-N 1 0 209.211 1.857 10 30 BDEERO C#CC[C@@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218868960 372161358 /nfs/dbraw/zinc/16/13/58/372161358.db2.gz DLGBOVZGBWXYTA-GHMZBOCLSA-N 1 0 238.331 1.594 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCN(C)C1 ZINC000042546882 374274874 /nfs/dbraw/zinc/27/48/74/374274874.db2.gz WIEFQNSLSXLHCF-MRVPVSSYSA-N 1 0 219.126 1.189 10 30 BDEERO CCC[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617729 169081126 /nfs/dbraw/zinc/08/11/26/169081126.db2.gz WCNVHIBTDODNMH-UHFFFAOYSA-N 1 0 247.338 1.881 10 30 BDEERO CCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cn1 ZINC000061871600 169368927 /nfs/dbraw/zinc/36/89/27/169368927.db2.gz PSTICFLVEIAEBF-LLVKDONJSA-N 1 0 245.326 1.310 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000336172985 383981742 /nfs/dbraw/zinc/98/17/42/383981742.db2.gz LSOGPPLVWQLWSK-LDYMZIIASA-N 1 0 249.339 1.376 10 30 BDEERO Cc1ccnc(NC2CC[NH2+]CC2)c1C#N ZINC000135195327 384175712 /nfs/dbraw/zinc/17/57/12/384175712.db2.gz CUCZOLVBDSCTHQ-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO C[C@H](C[NH3+])N(C)c1c(F)cc(C#N)cc1F ZINC000335612258 384319989 /nfs/dbraw/zinc/31/99/89/384319989.db2.gz QDKYIECOAKCUBU-SSDOTTSWSA-N 1 0 225.242 1.620 10 30 BDEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249987737 384530765 /nfs/dbraw/zinc/53/07/65/384530765.db2.gz ZKJLVBWXQAWKBQ-AXFHLTTASA-N 1 0 225.336 1.210 10 30 BDEERO N#CCC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000336495604 384912114 /nfs/dbraw/zinc/91/21/14/384912114.db2.gz UTRYKCFKUNJNMR-CHWSQXEVSA-N 1 0 222.332 1.916 10 30 BDEERO C#CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152338492 385066483 /nfs/dbraw/zinc/06/64/83/385066483.db2.gz VMTPMOVKTWYTRM-GFCCVEGCSA-N 1 0 202.257 1.168 10 30 BDEERO COC(=O)[C@]1(C)C[N@H+](CC2(C#N)CC2)C[C@H]1C ZINC000407964987 385189359 /nfs/dbraw/zinc/18/93/59/385189359.db2.gz LLFIZRTTWRYJMM-ZYHUDNBSSA-N 1 0 236.315 1.421 10 30 BDEERO CC#CCN1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000246795401 385237369 /nfs/dbraw/zinc/23/73/69/385237369.db2.gz PFMJZKIKQQABTC-CYBMUJFWSA-N 1 0 224.348 1.052 10 30 BDEERO C[NH2+]C[C@H]1CCCN1c1cc(C)nc(C#N)c1 ZINC000308237095 385410997 /nfs/dbraw/zinc/41/09/97/385410997.db2.gz FCZJCEAHMOKUEI-GFCCVEGCSA-N 1 0 230.315 1.450 10 30 BDEERO Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)cc(C#N)n1 ZINC000308245533 385413077 /nfs/dbraw/zinc/41/30/77/385413077.db2.gz RQJCFDQTOWYRST-ZANVPECISA-N 1 0 230.315 1.672 10 30 BDEERO Cc1cc(NCC2([NH3+])CCC2)cc(C#N)n1 ZINC000308241191 385414297 /nfs/dbraw/zinc/41/42/97/385414297.db2.gz OZEDXJKUKQMWBQ-UHFFFAOYSA-N 1 0 216.288 1.555 10 30 BDEERO CN(CC#N)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181678896 385554157 /nfs/dbraw/zinc/55/41/57/385554157.db2.gz SKECGNFNECOVAX-UHFFFAOYSA-N 1 0 235.306 1.713 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1cccc(C#N)n1 ZINC000309488740 385609972 /nfs/dbraw/zinc/60/99/72/385609972.db2.gz YXNIEJMULJIBKV-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO C[NH+]1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054824961 385664249 /nfs/dbraw/zinc/66/42/49/385664249.db2.gz QWVZBXKWRXAFFB-ZYHUDNBSSA-N 1 0 207.321 1.362 10 30 BDEERO N#Cc1cccc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782295 385913971 /nfs/dbraw/zinc/91/39/71/385913971.db2.gz DOVSHDVMBLZSJF-GFCCVEGCSA-N 1 0 202.257 1.437 10 30 BDEERO C=C(Cl)CN1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000575541883 385952420 /nfs/dbraw/zinc/95/24/20/385952420.db2.gz LUEWRUSSQKUGII-ZJUUUORDSA-N 1 0 202.729 1.811 10 30 BDEERO C=CCC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180589781 386282042 /nfs/dbraw/zinc/28/20/42/386282042.db2.gz LCEKAGRPSTUCSE-CHWSQXEVSA-N 1 0 246.358 1.927 10 30 BDEERO N#CC1(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000425527170 386312712 /nfs/dbraw/zinc/31/27/12/386312712.db2.gz LSRXXHFCVFYHNZ-SRVKXCTJSA-N 1 0 220.316 1.383 10 30 BDEERO C[NH2+][C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000398987567 386321547 /nfs/dbraw/zinc/32/15/47/386321547.db2.gz ITNJIALQMGBEFG-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO C[C@@H]1[C@H](NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307416377 386649494 /nfs/dbraw/zinc/64/94/94/386649494.db2.gz LFZFPOCZSPQVIY-TZMCWYRMSA-N 1 0 229.327 1.763 10 30 BDEERO Cc1cc(N[C@H](C)CCCC[NH3+])c(C#N)cn1 ZINC000399020130 386615427 /nfs/dbraw/zinc/61/54/27/386615427.db2.gz DTGPXYQQHPALKH-SNVBAGLBSA-N 1 0 232.331 1.613 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1cccc(C#N)n1 ZINC000081597670 134507743 /nfs/dbraw/zinc/50/77/43/134507743.db2.gz VSPIDDHXLVXNSI-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575451289 386799506 /nfs/dbraw/zinc/79/95/06/386799506.db2.gz SFUPMQBSFDUPMB-GXTWGEPZSA-N 1 0 242.322 1.399 10 30 BDEERO C=CC1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237747156 387378615 /nfs/dbraw/zinc/37/86/15/387378615.db2.gz HVQZGXCKGBZXCJ-CQSZACIVSA-N 1 0 236.359 1.943 10 30 BDEERO O=C1CCC(=O)N1CC#CCC[NH+]1CCCCC1 ZINC000584623624 387502847 /nfs/dbraw/zinc/50/28/47/387502847.db2.gz AKVQIDCQCTZZHN-UHFFFAOYSA-N 1 0 248.326 1.015 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424121351 387583564 /nfs/dbraw/zinc/58/35/64/387583564.db2.gz IJNLCKGGAHYOGF-MXWKQRLJSA-N 1 0 223.320 1.312 10 30 BDEERO C[C@@H](CO)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086623779 388104889 /nfs/dbraw/zinc/10/48/89/388104889.db2.gz AIWXAZFAPGCTBN-LRVUVFPRSA-N 1 0 244.338 1.828 10 30 BDEERO C#CC[N@@H+](C)CCCNC(=O)C1CC(C)C1 ZINC000491802194 388321508 /nfs/dbraw/zinc/32/15/08/388321508.db2.gz FRAHPHQMMKHHGL-UHFFFAOYSA-N 1 0 222.332 1.104 10 30 BDEERO Cc1ccnc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1C#N ZINC000227385813 388361440 /nfs/dbraw/zinc/36/14/40/388361440.db2.gz KTLYVXXYUJVXDR-AAEUAGOBSA-N 1 0 244.342 1.648 10 30 BDEERO N#Cc1csc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245715245 388430012 /nfs/dbraw/zinc/43/00/12/388430012.db2.gz GUIZNOIVXJCSBB-LBPRGKRZSA-N 1 0 247.367 1.900 10 30 BDEERO N#CCc1ccc(C[N@H+]2CC[C@H](CCO)C2)cc1 ZINC000343544259 388501222 /nfs/dbraw/zinc/50/12/22/388501222.db2.gz XRPNMMSYTZHNPU-OAHLLOKOSA-N 1 0 244.338 1.957 10 30 BDEERO CN(CC[NH3+])c1cccc(Cl)c1C#N ZINC000054419638 388594147 /nfs/dbraw/zinc/59/41/47/388594147.db2.gz FKWLLNXGBKUELB-UHFFFAOYSA-N 1 0 209.680 1.607 10 30 BDEERO N#Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000517904818 388662205 /nfs/dbraw/zinc/66/22/05/388662205.db2.gz RPOSJSBEDZEBOE-AWEZNQCLSA-N 1 0 242.326 1.533 10 30 BDEERO CC[C@@H]([NH3+])CNc1nc(C)cc(C)c1C#N ZINC000082579319 388728277 /nfs/dbraw/zinc/72/82/77/388728277.db2.gz JWZLEEYWQRDFGY-SNVBAGLBSA-N 1 0 218.304 1.719 10 30 BDEERO Cc1ccnc(N2CCC[C@@H](C)[C@@H]2C[NH3+])c1C#N ZINC000135202870 132239529 /nfs/dbraw/zinc/23/95/29/132239529.db2.gz WBWNSESANPOXQU-YPMHNXCESA-N 1 0 244.342 1.825 10 30 BDEERO N#CCCCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081410 132337561 /nfs/dbraw/zinc/33/75/61/132337561.db2.gz FLRDJCNCKGLQIN-UHFFFAOYSA-N 1 0 245.330 1.090 10 30 BDEERO N#Cc1ccccc1N1CCC[C@H](C[NH3+])C1 ZINC000044531769 132354385 /nfs/dbraw/zinc/35/43/85/132354385.db2.gz HSHDNXJFXNSCTQ-LLVKDONJSA-N 1 0 215.300 1.733 10 30 BDEERO COCCCC[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000123220499 134243316 /nfs/dbraw/zinc/24/33/16/134243316.db2.gz OEIBRRWIQBPSRO-JTQLQIEISA-N 1 0 229.324 1.014 10 30 BDEERO N#CCSCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173888788 134278674 /nfs/dbraw/zinc/27/86/74/134278674.db2.gz LHEJBEWEBDICGZ-GFCCVEGCSA-N 1 0 239.388 1.413 10 30 BDEERO CC#CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000221100891 134316372 /nfs/dbraw/zinc/31/63/72/134316372.db2.gz HLRGGUNVSHTTCQ-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C#CCCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179913230 134325258 /nfs/dbraw/zinc/32/52/58/134325258.db2.gz SHUBALAVCMSQDL-ZDUSSCGKSA-N 1 0 234.343 1.487 10 30 BDEERO C[C@H](C#N)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181902172 134340809 /nfs/dbraw/zinc/34/08/09/134340809.db2.gz REOOFAJJDUSJHI-GFCCVEGCSA-N 1 0 221.348 1.849 10 30 BDEERO N#CC1(CN2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000408108578 134394388 /nfs/dbraw/zinc/39/43/88/134394388.db2.gz BAHNZXFONUKQLJ-SNVBAGLBSA-N 1 0 231.303 1.288 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC#N ZINC000247481022 134982868 /nfs/dbraw/zinc/98/28/68/134982868.db2.gz SRLFBVYPASDXCY-NEPJUHHUSA-N 1 0 207.321 1.459 10 30 BDEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000070662793 135006762 /nfs/dbraw/zinc/00/67/62/135006762.db2.gz VOAOHSHYHPYDMG-SNVBAGLBSA-N 1 0 211.309 1.530 10 30 BDEERO C[C@H](C#N)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000248460201 135012435 /nfs/dbraw/zinc/01/24/35/135012435.db2.gz OFXMNQNNJMPQHO-VXGBXAGGSA-N 1 0 237.347 1.084 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250628452 135057339 /nfs/dbraw/zinc/05/73/39/135057339.db2.gz CFHHOBDNPXCBAS-TUAOUCFPSA-N 1 0 208.305 1.837 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000250682713 135057815 /nfs/dbraw/zinc/05/78/15/135057815.db2.gz ZFUWFLPBBJHIMI-WOPDTQHZSA-N 1 0 208.305 1.695 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250874656 135060727 /nfs/dbraw/zinc/06/07/27/135060727.db2.gz TVCUAIDMCCHULU-QJPTWQEYSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1cc(C#N)cc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000253114594 135121851 /nfs/dbraw/zinc/12/18/51/135121851.db2.gz FGQPKCXSGVAJNP-ZDUSSCGKSA-N 1 0 242.326 1.546 10 30 BDEERO CC1(C)CN(c2cccc(C#N)n2)CC[C@H]1[NH3+] ZINC000261541563 135182048 /nfs/dbraw/zinc/18/20/48/135182048.db2.gz BIKQAPYZZTUZQR-LLVKDONJSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1C#N ZINC000261571090 135213312 /nfs/dbraw/zinc/21/33/12/135213312.db2.gz KUPJHAMSNHRINH-MFKMUULPSA-N 1 0 244.342 1.825 10 30 BDEERO CC(C)CNC(=[NH2+])NC[C@H]1CCO[C@H]1C(C)C ZINC000261712247 135247671 /nfs/dbraw/zinc/24/76/71/135247671.db2.gz VMOLHAYINKFPNF-NEPJUHHUSA-N 1 0 241.379 1.608 10 30 BDEERO COc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000261991575 135269386 /nfs/dbraw/zinc/26/93/86/135269386.db2.gz MGBXCOMUMVZKEP-LDYMZIIASA-N 1 0 219.288 1.830 10 30 BDEERO CC[NH+]=C(NCC(C)(C)OC)N[C@@H]1C[C@H]1C ZINC000261998388 135271014 /nfs/dbraw/zinc/27/10/14/135271014.db2.gz SXHKFAZFJMMPQZ-NXEZZACHSA-N 1 0 227.352 1.375 10 30 BDEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262422321 135296401 /nfs/dbraw/zinc/29/64/01/135296401.db2.gz BNKOKLQFEUOJOZ-GMTAPVOTSA-N 1 0 225.336 1.210 10 30 BDEERO CN(C(=[NH2+])NCC1(C(F)F)CC1)C1CC1 ZINC000262470888 135300962 /nfs/dbraw/zinc/30/09/62/135300962.db2.gz OSHYJONJTKRQAU-UHFFFAOYSA-N 1 0 217.263 1.441 10 30 BDEERO C[C@@H]1C[C@@H]1NC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262554647 135305559 /nfs/dbraw/zinc/30/55/59/135305559.db2.gz UPNGAOKVSLFKBE-USWWRNFRSA-N 1 0 245.326 1.823 10 30 BDEERO N#Cc1ccc(F)c(CNC(=[NH2+])NC2CC2)c1 ZINC000262680584 135313085 /nfs/dbraw/zinc/31/30/85/135313085.db2.gz SMZHOUJTGSQWOL-UHFFFAOYSA-N 1 0 232.262 1.264 10 30 BDEERO CC[C@@]1(C(C)C)C[C@H]1NC1=[NH+]CCN1C ZINC000263053969 135329689 /nfs/dbraw/zinc/32/96/89/135329689.db2.gz DTKFOTLUVGSGBP-PWSUYJOCSA-N 1 0 209.337 1.702 10 30 BDEERO C[C@@H](CNC1=[NH+]CCCN1C)C(F)(F)F ZINC000263066735 135330269 /nfs/dbraw/zinc/33/02/69/135330269.db2.gz GFWFHNQUKPEEGN-ZETCQYMHSA-N 1 0 223.242 1.466 10 30 BDEERO CC(C)NC(=[NH2+])NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263078894 135331252 /nfs/dbraw/zinc/33/12/52/135331252.db2.gz HMQGTNUMRAGOAE-GRYCIOLGSA-N 1 0 221.348 1.901 10 30 BDEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H]2C(F)F)C1 ZINC000263135578 135335199 /nfs/dbraw/zinc/33/51/99/135335199.db2.gz HZBZQWPOQRTNNU-VGMNWLOBSA-N 1 0 231.290 1.687 10 30 BDEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079812498 135362390 /nfs/dbraw/zinc/36/23/90/135362390.db2.gz QONPNDBZOFUCMY-GFCCVEGCSA-N 1 0 233.315 1.788 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000293023127 135376802 /nfs/dbraw/zinc/37/68/02/135376802.db2.gz PCPWFNFSBQTINR-SNVBAGLBSA-N 1 0 210.321 1.455 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000336793072 397951394 /nfs/dbraw/zinc/95/13/94/397951394.db2.gz VIIHBQVAEHFUJK-QMMMGPOBSA-N 1 0 249.274 1.401 10 30 BDEERO c1ccc2c(c1)CC[N@@H+](CC[C@H]1CO1)C2 ZINC000307079309 397976871 /nfs/dbraw/zinc/97/68/71/397976871.db2.gz NQTSFSBXQSVEDD-ZDUSSCGKSA-N 1 0 203.285 1.834 10 30 BDEERO C#CCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000070160795 166147941 /nfs/dbraw/zinc/14/79/41/166147941.db2.gz OOFYBNWEDDCLMA-UHFFFAOYSA-N 1 0 231.295 1.613 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662952072 409987100 /nfs/dbraw/zinc/98/71/00/409987100.db2.gz CGSROKWTMHYVRX-NSHDSACASA-N 1 0 240.347 1.083 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000020084769 166191402 /nfs/dbraw/zinc/19/14/02/166191402.db2.gz WJPSKGPCVUPWMU-VIFPVBQESA-N 1 0 205.257 1.685 10 30 BDEERO C#CCOc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878277 166197753 /nfs/dbraw/zinc/19/77/53/166197753.db2.gz JKBQSKWESYOTQG-VIFPVBQESA-N 1 0 233.267 1.317 10 30 BDEERO C=CCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000279065657 166241754 /nfs/dbraw/zinc/24/17/54/166241754.db2.gz FRPNMEFXDXCJMY-UHFFFAOYSA-N 1 0 223.320 1.793 10 30 BDEERO C=CCN(CCc1ccco1)C(=O)[C@H](C)[NH3+] ZINC000262099822 166345049 /nfs/dbraw/zinc/34/50/49/166345049.db2.gz CNINWJFDJBNPFN-JTQLQIEISA-N 1 0 222.288 1.184 10 30 BDEERO C=CC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178286290 166356330 /nfs/dbraw/zinc/35/63/30/166356330.db2.gz XHCBAPLMBJWYNQ-GFCCVEGCSA-N 1 0 205.305 1.842 10 30 BDEERO C=CCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000104342371 166370117 /nfs/dbraw/zinc/37/01/17/166370117.db2.gz QELLIPQCMUCKIF-LLVKDONJSA-N 1 0 248.326 1.696 10 30 BDEERO C=CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000011754552 166385064 /nfs/dbraw/zinc/38/50/64/166385064.db2.gz GRZDYHDXIGBQFM-LBPRGKRZSA-N 1 0 243.310 1.340 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020316324 166388265 /nfs/dbraw/zinc/38/82/65/166388265.db2.gz ZZNSLOOTIGFETA-JTQLQIEISA-N 1 0 236.290 1.606 10 30 BDEERO CC[NH+](CC)CCN[C@H](C#N)c1ccc(O)cc1 ZINC000037941031 169781399 /nfs/dbraw/zinc/78/13/99/169781399.db2.gz BOYZXJGNBSKQFR-CQSZACIVSA-N 1 0 247.342 1.888 10 30 BDEERO CC(C)[C@@H](C[NH+](C)C)Nc1ncc(N)cc1C#N ZINC000049194864 167395180 /nfs/dbraw/zinc/39/51/80/167395180.db2.gz YVWGYNYHKOYZTN-GFCCVEGCSA-N 1 0 247.346 1.534 10 30 BDEERO C=CCOCCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659358419 411374386 /nfs/dbraw/zinc/37/43/86/411374386.db2.gz IQNQGQNIKNLYCD-VXGBXAGGSA-N 1 0 240.347 1.083 10 30 BDEERO CC[N@@H+]1CC[C@@H](CNc2ncc(N)cc2C#N)C1 ZINC000037759199 170009435 /nfs/dbraw/zinc/00/94/35/170009435.db2.gz MRQMXAMYUBVJNG-JTQLQIEISA-N 1 0 245.330 1.289 10 30 BDEERO CC[N@@H+]1CC[C@@H](CNc2nccnc2C#N)C1 ZINC000054377411 170010447 /nfs/dbraw/zinc/01/04/47/170010447.db2.gz MINDAFFBMUQJFC-JTQLQIEISA-N 1 0 231.303 1.102 10 30 BDEERO CC[NH2+]CCC(=O)Nc1cc(C#N)cc(F)c1C ZINC000061292810 170111800 /nfs/dbraw/zinc/11/18/00/170111800.db2.gz JFZROYSPCQCMLL-UHFFFAOYSA-N 1 0 249.289 1.944 10 30 BDEERO CC[NH2+]C[C@H](C)C(=O)N(C)c1cccc(C#N)c1 ZINC000061981073 170120765 /nfs/dbraw/zinc/12/07/65/170120765.db2.gz HYTPPCREKLSBMM-NSHDSACASA-N 1 0 245.326 1.767 10 30 BDEERO CCOC(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049587400 170237496 /nfs/dbraw/zinc/23/74/96/170237496.db2.gz CEYBFINMVIQPQC-UHFFFAOYSA-N 1 0 246.310 1.585 10 30 BDEERO CCOC(=O)N(C)CC#CC[NH+]1CCCC1 ZINC000013823335 170238067 /nfs/dbraw/zinc/23/80/67/170238067.db2.gz YMJHGJKFNKBATQ-UHFFFAOYSA-N 1 0 224.304 1.174 10 30 BDEERO CCOC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049587496 170242271 /nfs/dbraw/zinc/24/22/71/170242271.db2.gz MSYWCCRRZQVFHC-UHFFFAOYSA-N 1 0 232.283 1.243 10 30 BDEERO CCOC1CC[NH+](C[C@@]2(C=O)CCOC2)CC1 ZINC000051177583 170332832 /nfs/dbraw/zinc/33/28/32/170332832.db2.gz KABRLTLAZCQSKE-CYBMUJFWSA-N 1 0 241.331 1.093 10 30 BDEERO CC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(C#N)c1 ZINC000037807968 170861458 /nfs/dbraw/zinc/86/14/58/170861458.db2.gz BFMDTIBLQTXXKQ-GFCCVEGCSA-N 1 0 231.299 1.254 10 30 BDEERO CC[C@@]1(C(=O)N(C)[C@H](C)CC#N)CCC[NH2+]C1 ZINC000063092993 171194351 /nfs/dbraw/zinc/19/43/51/171194351.db2.gz FXHOWOTVLZMXEP-DGCLKSJQSA-N 1 0 237.347 1.527 10 30 BDEERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(C#N)c1 ZINC000038065165 171345327 /nfs/dbraw/zinc/34/53/27/171345327.db2.gz OIUMCJNAHKVPGC-JOYOIKCWSA-N 1 0 231.299 1.473 10 30 BDEERO CC[C@H](C)[C@@](C)(C#N)N1CCC[NH2+]CC1 ZINC000037940342 171381781 /nfs/dbraw/zinc/38/17/81/171381781.db2.gz DXCVYVWYDKUEKM-NWDGAFQWSA-N 1 0 209.337 1.610 10 30 BDEERO C=CCN(C(=O)C[C@@H]([NH3+])C(C)C)[C@H](C)COC ZINC000662855185 412326056 /nfs/dbraw/zinc/32/60/56/412326056.db2.gz RBYQWNQDTACDIQ-VXGBXAGGSA-N 1 0 242.363 1.409 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662858615 412326629 /nfs/dbraw/zinc/32/66/29/412326629.db2.gz ZXJPISQCLNBOOL-GXTWGEPZSA-N 1 0 236.359 1.943 10 30 BDEERO C=CCC1(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCCC1 ZINC000662888131 412335680 /nfs/dbraw/zinc/33/56/80/412335680.db2.gz GGDSRYJMTPXAAC-VXGBXAGGSA-N 1 0 236.359 1.847 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000662953769 412354004 /nfs/dbraw/zinc/35/40/04/412354004.db2.gz PXMGAIMCWDCEGC-GHMZBOCLSA-N 1 0 224.348 1.975 10 30 BDEERO C[N@@H+]1CCC[C@@H](Oc2cccc(N)c2C#N)C1 ZINC000059042959 173022670 /nfs/dbraw/zinc/02/26/70/173022670.db2.gz OHXJXNWOOLGAIJ-SNVBAGLBSA-N 1 0 231.299 1.613 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(C#N)o1 ZINC000311200212 173142619 /nfs/dbraw/zinc/14/26/19/173142619.db2.gz HGOIQBFLBDYDLS-JTQLQIEISA-N 1 0 247.298 1.175 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000048738741 173154405 /nfs/dbraw/zinc/15/44/05/173154405.db2.gz BFTQMZYTLHOGDC-LBPRGKRZSA-N 1 0 201.273 1.674 10 30 BDEERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000042562073 173295266 /nfs/dbraw/zinc/29/52/66/173295266.db2.gz ZYPNQCKNCKDFCX-VHSXEESVSA-N 1 0 231.299 1.343 10 30 BDEERO C[NH2+]CCC(=O)N(C)c1ccccc1C#N ZINC000077324872 173339254 /nfs/dbraw/zinc/33/92/54/173339254.db2.gz OZFLSEHCNLGRHQ-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO C[NH2+]CCOc1cc(Cl)ccc1C#N ZINC000062786569 173357933 /nfs/dbraw/zinc/35/79/33/173357933.db2.gz FCFUDCMSOIDQOA-UHFFFAOYSA-N 1 0 210.664 1.810 10 30 BDEERO C[NH2+]C[C@H](C)Oc1cc(C)ccc1C#N ZINC000051867787 173376120 /nfs/dbraw/zinc/37/61/20/173376120.db2.gz HOVOLEQIWWZZLC-JTQLQIEISA-N 1 0 204.273 1.853 10 30 BDEERO C[NH2+]Cc1cc2c(cc1OCCCC#N)OCO2 ZINC000042874245 173387012 /nfs/dbraw/zinc/38/70/12/173387012.db2.gz ISKSUJAEOUAKJD-UHFFFAOYSA-N 1 0 248.282 1.817 10 30 BDEERO C[NH2+]Cc1cc(F)c(-n2cnc(C#N)n2)c(F)c1 ZINC000062719925 173387459 /nfs/dbraw/zinc/38/74/59/173387459.db2.gz XONINXWECUDVEN-UHFFFAOYSA-N 1 0 249.224 1.137 10 30 BDEERO COCC[N@H+](C)Cc1ccccc1C#CCCO ZINC000049614783 174280168 /nfs/dbraw/zinc/28/01/68/174280168.db2.gz CFLRAVFOLDBVOZ-UHFFFAOYSA-N 1 0 247.338 1.499 10 30 BDEERO COc1ccc(C#CCN2CC[NH2+]CC2)c(C)c1 ZINC000037547847 175051404 /nfs/dbraw/zinc/05/14/04/175051404.db2.gz KLCLMTLZGFZOOO-UHFFFAOYSA-N 1 0 244.338 1.260 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1Cn1cccn1 ZINC000049610052 175051411 /nfs/dbraw/zinc/05/14/11/175051411.db2.gz BTAGWGPFNUPSQY-UHFFFAOYSA-N 1 0 241.294 1.250 10 30 BDEERO COc1ccc(CC(C)N=NC(N)=[NH2+])cc1 ZINC000005445947 175083882 /nfs/dbraw/zinc/08/38/82/175083882.db2.gz HXGOIRJPGDWZEO-RIYZIHGNSA-N 1 0 220.276 1.097 10 30 BDEERO COc1ccc(CC[NH2+]C[C@@H](C)C#N)cc1OC ZINC000036667854 175092066 /nfs/dbraw/zinc/09/20/66/175092066.db2.gz MJSPMFDMAKIZIW-NSHDSACASA-N 1 0 248.326 1.996 10 30 BDEERO COc1ccccc1[C@H](C#N)NCC[NH+](C)C ZINC000019989710 175350562 /nfs/dbraw/zinc/35/05/62/175350562.db2.gz OTGXMKVKVFEBMP-LBPRGKRZSA-N 1 0 233.315 1.411 10 30 BDEERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062113596 175843804 /nfs/dbraw/zinc/84/38/04/175843804.db2.gz WVWALGKUEIRYAS-ZWNOBZJWSA-N 1 0 243.310 1.345 10 30 BDEERO C[C@@H]1CCCN1C(=O)c1ccccc1C#CC[NH3+] ZINC000037912567 176107141 /nfs/dbraw/zinc/10/71/41/176107141.db2.gz VJZVNXADNMVVMF-GFCCVEGCSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@@H]1CCC[N@@H+]1Cc1cccc(/C(N)=N/O)c1 ZINC000037910997 176109580 /nfs/dbraw/zinc/10/95/80/176109580.db2.gz OXFOBJRPCSPKQG-SNVBAGLBSA-N 1 0 233.315 1.765 10 30 BDEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000042428741 176196695 /nfs/dbraw/zinc/19/66/95/176196695.db2.gz ZIROMMKPKNJDQK-FDYHWXHSSA-N 1 0 249.358 1.655 10 30 BDEERO C[C@H](C[NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000054337541 176657614 /nfs/dbraw/zinc/65/76/14/176657614.db2.gz YVXBQWUZXLPJNU-MRVPVSSYSA-N 1 0 203.245 1.092 10 30 BDEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000042428742 177181739 /nfs/dbraw/zinc/18/17/39/177181739.db2.gz ZIROMMKPKNJDQK-UMSGYPCISA-N 1 0 249.358 1.655 10 30 BDEERO C[C@H]1CN(c2cccnc2C#N)C[C@@H]1[NH+](C)C ZINC000130089062 177277327 /nfs/dbraw/zinc/27/73/27/177277327.db2.gz PFECSOUAEOMHAC-GWCFXTLKSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1CO[C@H](c2ccc(C#N)cc2)C[NH2+]1 ZINC000036673399 177302560 /nfs/dbraw/zinc/30/25/60/177302560.db2.gz MVERVMLJBAMJOF-CABZTGNLSA-N 1 0 202.257 1.608 10 30 BDEERO C[C@H]1C[C@@H](Nc2nccc(C#N)n2)C[N@@H+]1C1CC1 ZINC000297612440 177334888 /nfs/dbraw/zinc/33/48/88/177334888.db2.gz VRLJUTWZZZVJGD-GXSJLCMTSA-N 1 0 243.314 1.385 10 30 BDEERO Cc1cc(NC[C@H]2CCC[NH2+]2)cc(C#N)n1 ZINC000308246226 229225671 /nfs/dbraw/zinc/22/56/71/229225671.db2.gz WUDMJYRYBMGDDJ-SNVBAGLBSA-N 1 0 216.288 1.426 10 30 BDEERO Cc1cc(N[C@H](C)[C@H](C)[NH3+])cc(C#N)n1 ZINC000308235620 229421546 /nfs/dbraw/zinc/42/15/46/229421546.db2.gz AOWYJLOXWJXSSX-DTWKUNHWSA-N 1 0 204.277 1.409 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000595482515 487866411 /nfs/dbraw/zinc/86/64/11/487866411.db2.gz PGASGESXTYIKJZ-GUBZILKMSA-N 1 0 230.258 1.692 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000320106144 323537741 /nfs/dbraw/zinc/53/77/41/323537741.db2.gz MZHMCEBSMSTKRC-JGVFFNPUSA-N 1 0 249.274 1.399 10 30 BDEERO C=CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000132559150 325225104 /nfs/dbraw/zinc/22/51/04/325225104.db2.gz ZJSWMIIOEQTAET-GFCCVEGCSA-N 1 0 239.363 1.592 10 30 BDEERO C[C@@H]1COC[C@H](C)[N@H+]1CCCSCC#N ZINC000074991373 325273397 /nfs/dbraw/zinc/27/33/97/325273397.db2.gz RSLOOJOVWPDRRA-PHIMTYICSA-N 1 0 228.361 1.742 10 30 BDEERO C#C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000186052768 488036271 /nfs/dbraw/zinc/03/62/71/488036271.db2.gz BFSPTFCCIZUFQR-OCCSQVGLSA-N 1 0 244.338 1.297 10 30 BDEERO C=C1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000382550809 487546961 /nfs/dbraw/zinc/54/69/61/487546961.db2.gz UMOVNQYYBXLQKV-GHMZBOCLSA-N 1 0 210.321 1.538 10 30 BDEERO C=CCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261538452 534608267 /nfs/dbraw/zinc/60/82/67/534608267.db2.gz YEJMZATZRGFOID-SNVBAGLBSA-N 1 0 210.321 1.538 10 30 BDEERO C[NH+](C)CC#Cc1ccc(C=NO)cc1 ZINC000254478931 524041439 /nfs/dbraw/zinc/04/14/39/524041439.db2.gz KCAYJJSGXZVSAB-UHFFFAOYSA-N 1 0 202.257 1.408 10 30 BDEERO N#Cc1ccc(C(=O)N2CCC([NH3+])CC2)s1 ZINC000229017112 526589498 /nfs/dbraw/zinc/58/94/98/526589498.db2.gz RRMUBTPQODNURJ-UHFFFAOYSA-N 1 0 235.312 1.183 10 30 BDEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1C[C@H]1C ZINC000262706906 535260280 /nfs/dbraw/zinc/26/02/80/535260280.db2.gz JZHWXZPXGKZWDH-MWLCHTKSSA-N 1 0 209.337 1.750 10 30 BDEERO CC[NH+]=C(NCC1CC1)N[C@H]1CC1(C)C ZINC000262760895 535260704 /nfs/dbraw/zinc/26/07/04/535260704.db2.gz KRPHVZKNGPNUMH-JTQLQIEISA-N 1 0 209.337 1.750 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CC1(C)C ZINC000262566670 535263307 /nfs/dbraw/zinc/26/33/07/535263307.db2.gz LTLVAJRZRFYZME-QWRGUYRKSA-N 1 0 239.363 1.519 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](COC)C1 ZINC000262496237 535265657 /nfs/dbraw/zinc/26/56/57/535265657.db2.gz WMQPISQAPNMIOC-SDDRHHMPSA-N 1 0 239.363 1.329 10 30 BDEERO CC[C@]1(C(C)C)C[C@@H]1NC1=[NH+]CCN1C ZINC000263053964 535884118 /nfs/dbraw/zinc/88/41/18/535884118.db2.gz DTKFOTLUVGSGBP-CMPLNLGQSA-N 1 0 209.337 1.702 10 30 BDEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])N(C)C ZINC000262518289 537109806 /nfs/dbraw/zinc/10/98/06/537109806.db2.gz HHMSFRDPAKXLQP-JSGCOSHPSA-N 1 0 247.342 1.602 10 30 BDEERO CC/C=N/OC[C@H](O)C[NH2+]C(C)(C)C ZINC000011422451 581093783 /nfs/dbraw/zinc/09/37/83/581093783.db2.gz AJULDGAPFSVVHF-TZZQWBKVSA-N 1 0 202.298 1.148 10 30 BDEERO Cc1cc(C[NH2+]CC#CCO)ccc1Cl ZINC000757153772 582539303 /nfs/dbraw/zinc/53/93/03/582539303.db2.gz RRJTWSVAFUZCLC-UHFFFAOYSA-N 1 0 223.703 1.734 10 30 BDEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1[NH3+] ZINC000300058093 592502265 /nfs/dbraw/zinc/50/22/65/592502265.db2.gz VIUHMYPRCWBJNN-PHDIDXHHSA-N 1 0 242.735 1.452 10 30 BDEERO CN(c1nc(Cl)c(C#N)s1)[C@@H]1CC[NH2+]C1 ZINC000234325957 631323111 /nfs/dbraw/zinc/32/31/11/631323111.db2.gz CRWLQRMFEWFWFM-ZCFIWIBFSA-N 1 0 242.735 1.466 10 30 BDEERO N#CC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000309293022 631993034 /nfs/dbraw/zinc/99/30/34/631993034.db2.gz QSMNTCZGHFVFBK-OLZOCXBDSA-N 1 0 222.332 1.773 10 30 BDEERO C#CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000084242813 636875244 /nfs/dbraw/zinc/87/52/44/636875244.db2.gz INHSABYZCWHSBC-UHFFFAOYSA-N 1 0 213.284 1.686 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000070246089 643006263 /nfs/dbraw/zinc/00/62/63/643006263.db2.gz KESUIZHSLGBQEO-UHFFFAOYSA-N 1 0 249.310 1.825 10 30 BDEERO CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071311788 643122751 /nfs/dbraw/zinc/12/27/51/643122751.db2.gz HODDKFDQPPPFEA-NSHDSACASA-N 1 0 246.270 1.265 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH3+])C1 ZINC000050249514 643664126 /nfs/dbraw/zinc/66/41/26/643664126.db2.gz KXPXVXRYRJBNBQ-SECBINFHSA-N 1 0 246.270 1.251 10 30 BDEERO CCN(c1ccc(C#N)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071314196 643665932 /nfs/dbraw/zinc/66/59/32/643665932.db2.gz RSUVUBDHFKZJKV-LLVKDONJSA-N 1 0 233.290 1.886 10 30 BDEERO C#CCCCCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708809332 712199508 /nfs/dbraw/zinc/19/95/08/712199508.db2.gz SICOHOAGZMCNIL-OLZOCXBDSA-N 1 0 209.333 1.740 10 30 BDEERO C[NH2+]CCN(c1cc(C)nc(C#N)c1)C(C)C ZINC000720765113 712864188 /nfs/dbraw/zinc/86/41/88/712864188.db2.gz WPKXRUHJEHLLMN-UHFFFAOYSA-N 1 0 232.331 1.696 10 30 BDEERO N#Cc1cc(F)ccc1N1CC[C@H](CC[NH3+])C1 ZINC000723670945 710730925 /nfs/dbraw/zinc/73/09/25/710730925.db2.gz WRIKNFLGUQMMSQ-JTQLQIEISA-N 1 0 233.290 1.872 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723912732 710732725 /nfs/dbraw/zinc/73/27/25/710732725.db2.gz VCSMYGFQXHNBSI-ZWNOBZJWSA-N 1 0 244.342 1.683 10 30 BDEERO Cc1nc(N[C@@H]2C[NH2+]CC2(C)C)ccc1C#N ZINC000721982569 710695291 /nfs/dbraw/zinc/69/52/91/710695291.db2.gz MMAGLIZRCLFDLB-LLVKDONJSA-N 1 0 230.315 1.672 10 30 BDEERO N#Cc1cncc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000721547229 711622627 /nfs/dbraw/zinc/62/26/27/711622627.db2.gz YCNYLXJLNTZFSJ-CQSZACIVSA-N 1 0 245.326 1.690 10 30 BDEERO C=CCCC(C)(C)CNC(=O)C1CC([NH3+])C1 ZINC000707773156 712177468 /nfs/dbraw/zinc/17/74/68/712177468.db2.gz LQUIAKAOBNUWGJ-UHFFFAOYSA-N 1 0 224.348 1.832 10 30 BDEERO COCC1CC([NH2+]Cc2nc(C#N)cs2)C1 ZINC000713951966 712474580 /nfs/dbraw/zinc/47/45/80/712474580.db2.gz FAQJWOYAHVHZOC-UHFFFAOYSA-N 1 0 237.328 1.529 10 30 BDEERO CCC1([NH3+])CCN(c2cc(C#N)ccn2)CC1 ZINC000714751390 712497397 /nfs/dbraw/zinc/49/73/97/712497397.db2.gz ARVGWTCGJZWJIS-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO CC1(C)OC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)O1 ZINC000715072238 712505763 /nfs/dbraw/zinc/50/57/63/712505763.db2.gz QAJCLSJYBNGOQQ-OUAUKWLOSA-N 1 0 224.304 1.420 10 30 BDEERO N#Cc1ncccc1NCC1CC([NH3+])C1 ZINC000715110315 712509409 /nfs/dbraw/zinc/50/94/09/712509409.db2.gz QPIPEIXYGOQBLX-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO N#Cc1ccnc(NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000715131660 712514042 /nfs/dbraw/zinc/51/40/42/712514042.db2.gz IARNGPDAMIQGJA-MGCOHNPYSA-N 1 0 202.261 1.102 10 30 BDEERO C=CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715461895 712519730 /nfs/dbraw/zinc/51/97/30/712519730.db2.gz FAYKUBVNDKYOPE-DGCLKSJQSA-N 1 0 222.332 1.459 10 30 BDEERO C#CC[C@H](COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000716338943 712555477 /nfs/dbraw/zinc/55/54/77/712555477.db2.gz BDTSQXTZWGXBPQ-MNOVXSKESA-N 1 0 213.321 1.021 10 30 BDEERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(C#N)c1 ZINC000716715351 712570895 /nfs/dbraw/zinc/57/08/95/712570895.db2.gz GVORSFHTUWPJGF-UHEGKEBESA-N 1 0 243.310 1.473 10 30 BDEERO C[C@H](CC(C)(C)C#N)[NH2+]C1CC(C(N)=O)C1 ZINC000716754630 712572513 /nfs/dbraw/zinc/57/25/13/712572513.db2.gz IPHISNBSDALAIT-XNWIYYODSA-N 1 0 223.320 1.168 10 30 BDEERO C[C@H](C#N)OCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000379895255 712621357 /nfs/dbraw/zinc/62/13/57/712621357.db2.gz GRMCWGRWCVJRJP-OUAUKWLOSA-N 1 0 212.293 1.072 10 30 BDEERO C#CCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000719583403 712813289 /nfs/dbraw/zinc/81/32/89/712813289.db2.gz ZSLYXQJFVYMGOF-UHFFFAOYSA-N 1 0 206.314 1.745 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720577541 712853870 /nfs/dbraw/zinc/85/38/70/712853870.db2.gz VOJUERKBNCQIDA-UWVGGRQHSA-N 1 0 208.309 1.820 10 30 BDEERO Cc1ccnc(N2C[C@H]([NH3+])C(C)(C)C2)c1C#N ZINC000720761305 712864204 /nfs/dbraw/zinc/86/42/04/712864204.db2.gz ZHRLYKOPMJSYHO-NSHDSACASA-N 1 0 230.315 1.435 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cncc(C#N)n1 ZINC000721113100 712891595 /nfs/dbraw/zinc/89/15/95/712891595.db2.gz JCPOBAXHXCSVIM-NXEZZACHSA-N 1 0 231.303 1.006 10 30 BDEERO C#CCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962070 538909361 /nfs/dbraw/zinc/90/93/61/538909361.db2.gz SRTZXLHVNFGKPM-SMDDNHRTSA-N 1 0 231.295 1.511 10 30 BDEERO CC[C@@H](C)[NH2+]CC#CC(=O)OC(C)(C)C ZINC000685953031 538896707 /nfs/dbraw/zinc/89/67/07/538896707.db2.gz ISIDOTLIVPDYMC-SNVBAGLBSA-N 1 0 211.305 1.720 10 30 BDEERO N#Cc1ccncc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382482308 398173555 /nfs/dbraw/zinc/17/35/55/398173555.db2.gz XLDOZDBYTCEPIK-MWLCHTKSSA-N 1 0 216.288 1.493 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000308999121 136217120 /nfs/dbraw/zinc/21/71/20/136217120.db2.gz NLNOGLHYJHLOJK-GMTAPVOTSA-N 1 0 210.321 1.675 10 30 BDEERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000127350579 178119024 /nfs/dbraw/zinc/11/90/24/178119024.db2.gz CEFVKKYHQVCCSD-LBPRGKRZSA-N 1 0 244.342 1.710 10 30 BDEERO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000308268705 178121887 /nfs/dbraw/zinc/12/18/87/178121887.db2.gz CUTRWXWGROTUJA-IINYFYTJSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1ccc(C#N)c(O[C@@H]2CC[NH2+]C2)c1 ZINC000051868598 178366227 /nfs/dbraw/zinc/36/62/27/178366227.db2.gz MYFOACUSBZHGMR-LLVKDONJSA-N 1 0 202.257 1.607 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)C[NH3+] ZINC000054345551 178367345 /nfs/dbraw/zinc/36/73/45/178367345.db2.gz HRHMBDNYHPLFLC-VIFPVBQESA-N 1 0 217.272 1.400 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000380171770 538986967 /nfs/dbraw/zinc/98/69/67/538986967.db2.gz DRECSUCGMJEFFN-GARJFASQSA-N 1 0 208.305 1.045 10 30 BDEERO CNC(=[NH+]N)c1ccc(Cl)cc1Cl ZINC000042035118 361927752 /nfs/dbraw/zinc/92/77/52/361927752.db2.gz SULITPBLLVONAY-UHFFFAOYSA-N 1 0 218.087 1.833 10 30 BDEERO C=CCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000381559122 539003814 /nfs/dbraw/zinc/00/38/14/539003814.db2.gz QLTDXNIIQLKUDZ-STQMWFEESA-N 1 0 224.348 1.799 10 30 BDEERO C=C(Cl)C[NH2+][C@@H]1CCN2CCC[C@@H]12 ZINC000219280688 342854415 /nfs/dbraw/zinc/85/44/15/342854415.db2.gz FKYCATNDPKKTTL-ZJUUUORDSA-N 1 0 200.713 1.565 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000134541559 342863490 /nfs/dbraw/zinc/86/34/90/342863490.db2.gz CVISCHAWBUHRDK-WHOHXGKFSA-N 1 0 208.305 1.836 10 30 BDEERO CC(C)NC(=[NH+]N)[C@]1(C)CCCS1 ZINC000164945809 342860615 /nfs/dbraw/zinc/86/06/15/342860615.db2.gz PIFAZBHUQJQTFZ-VIFPVBQESA-N 1 0 201.339 1.542 10 30 BDEERO C#CCOc1cccc(C[NH2+]CCOC)c1 ZINC000045945879 343013433 /nfs/dbraw/zinc/01/34/33/343013433.db2.gz MGNOJLAJMKCASQ-UHFFFAOYSA-N 1 0 219.284 1.435 10 30 BDEERO COCCC[N@H+]1[C@H](C)C[C@@H](C=O)C[C@@H]1C ZINC000584883517 343086185 /nfs/dbraw/zinc/08/61/85/343086185.db2.gz QTCPTYLHANFGMV-ZSBIGDGJSA-N 1 0 213.321 1.711 10 30 BDEERO C[C@@H](C#CC[NH+]1CCCC1)N1CCCC1=O ZINC000013448073 343088684 /nfs/dbraw/zinc/08/86/84/343088684.db2.gz LVKGEHAPRFNGNI-LBPRGKRZSA-N 1 0 220.316 1.097 10 30 BDEERO C=CCN(C)C[C@H]1[NH2+]CCc2ccccc21 ZINC000126714572 343171381 /nfs/dbraw/zinc/17/13/81/343171381.db2.gz NJDDKXXYVUBBOT-CQSZACIVSA-N 1 0 216.328 1.991 10 30 BDEERO C[C@H](CCC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000311242927 136275899 /nfs/dbraw/zinc/27/58/99/136275899.db2.gz YBHCMHLCEIFXIF-SNVBAGLBSA-N 1 0 244.342 1.981 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826362 136373104 /nfs/dbraw/zinc/37/31/04/136373104.db2.gz QQJVDQXRXDLLLC-IJLUTSLNSA-N 1 0 218.304 1.553 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000071013180 343585227 /nfs/dbraw/zinc/58/52/27/343585227.db2.gz VUSWIWWVLULESZ-TUAOUCFPSA-N 1 0 208.305 1.837 10 30 BDEERO CC[N@H+](CCC#N)C[C@H]1CCC[C@H](O)C1 ZINC000379823920 343634556 /nfs/dbraw/zinc/63/45/56/343634556.db2.gz VNSCFQRRRAYCPI-RYUDHWBXSA-N 1 0 210.321 1.773 10 30 BDEERO C#CCn1cc(CC[NH3+])c(-c2ccncc2)n1 ZINC000409436876 343841205 /nfs/dbraw/zinc/84/12/05/343841205.db2.gz BUHFBSJJYRUXPS-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(-c2cccs2)n1 ZINC000409437747 343849026 /nfs/dbraw/zinc/84/90/26/343849026.db2.gz IKDXRKFNEAXBFT-UHFFFAOYSA-N 1 0 231.324 1.964 10 30 BDEERO N#CCn1nc(-c2ccsc2)c2c1CC[NH2+]C2 ZINC000409438085 343849684 /nfs/dbraw/zinc/84/96/84/343849684.db2.gz JYPSQQUTLLHQNU-UHFFFAOYSA-N 1 0 244.323 1.781 10 30 BDEERO N#C[C@@H](c1ccccc1F)N1CC(C[NH3+])C1 ZINC000409441591 343859857 /nfs/dbraw/zinc/85/98/57/343859857.db2.gz PXEFJAYTRKBTFS-LBPRGKRZSA-N 1 0 219.263 1.281 10 30 BDEERO C#CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000307297978 343918788 /nfs/dbraw/zinc/91/87/88/343918788.db2.gz VYAJJWCEYWXSTK-HTQZYQBOSA-N 1 0 207.195 1.319 10 30 BDEERO C[NH2+]CCNc1nc(Cl)c(C#N)s1 ZINC000234387776 343960462 /nfs/dbraw/zinc/96/04/62/343960462.db2.gz GWDPOLOFENDDGF-UHFFFAOYSA-N 1 0 216.697 1.299 10 30 BDEERO C=CCSCC[NH2+]Cc1cnn(C)c1C ZINC000126232036 344172142 /nfs/dbraw/zinc/17/21/42/344172142.db2.gz WQNHTLSZXXJIJN-UHFFFAOYSA-N 1 0 225.361 1.737 10 30 BDEERO C=C[C@@]1(C2=[NH+]CCN2)COc2ccccc2O1 ZINC000026002699 344119068 /nfs/dbraw/zinc/11/90/68/344119068.db2.gz UASOMNFQPGGPNL-ZDUSSCGKSA-N 1 0 230.267 1.384 10 30 BDEERO N#CCC1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000227374284 344124141 /nfs/dbraw/zinc/12/41/41/344124141.db2.gz UUWUWJNNGMISNG-CYBMUJFWSA-N 1 0 233.359 1.850 10 30 BDEERO CCN(CC[NH3+])c1nc(C)ccc1C#N ZINC000165934852 344240264 /nfs/dbraw/zinc/24/02/64/344240264.db2.gz HTZMFGCHHNVEPT-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO C=C(C)C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616573914 344185508 /nfs/dbraw/zinc/18/55/08/344185508.db2.gz UVJIXDUPZANQGF-SNVBAGLBSA-N 1 0 218.300 1.899 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084310848 344418732 /nfs/dbraw/zinc/41/87/32/344418732.db2.gz JXPPXUUIYKVULU-MXWKQRLJSA-N 1 0 223.320 1.122 10 30 BDEERO CC[C@@H]1CN(c2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC000251843192 344450941 /nfs/dbraw/zinc/45/09/41/344450941.db2.gz QZMOCESVWSCCME-VXGBXAGGSA-N 1 0 230.315 1.517 10 30 BDEERO N#Cc1cnccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958290 344461633 /nfs/dbraw/zinc/46/16/33/344461633.db2.gz FFRHNRLXVWZNEO-GFCCVEGCSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1ccc(Br)cc1NCC[NH3+] ZINC000166064578 344468717 /nfs/dbraw/zinc/46/87/17/344468717.db2.gz VMDOBMMIXNMKDN-UHFFFAOYSA-N 1 0 240.104 1.691 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000381364983 344497989 /nfs/dbraw/zinc/49/79/89/344497989.db2.gz LCUALZKJZCRIHZ-RQJHMYQMSA-N 1 0 235.247 1.009 10 30 BDEERO N#Cc1cccc(NC2CC[NH2+]CC2)n1 ZINC000081596606 344594917 /nfs/dbraw/zinc/59/49/17/344594917.db2.gz DLXDBGKDKJEUIJ-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO C#CCOc1c(C[NH2+]C[C@H](C)O)cccc1OC ZINC000045946087 192075521 /nfs/dbraw/zinc/07/55/21/192075521.db2.gz QYAZNAKBDFPULT-NSHDSACASA-N 1 0 249.310 1.178 10 30 BDEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000174362258 535007435 /nfs/dbraw/zinc/00/74/35/535007435.db2.gz VTCRPRZIBGFCJO-LLVKDONJSA-N 1 0 247.346 1.512 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C#N ZINC000070447800 345716949 /nfs/dbraw/zinc/71/69/49/345716949.db2.gz CXCYQHCKSKKFEA-SNVBAGLBSA-N 1 0 249.274 1.257 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000300360361 345801957 /nfs/dbraw/zinc/80/19/57/345801957.db2.gz XOKFHYBAKMVQPT-CYDGBPFRSA-N 1 0 222.332 1.819 10 30 BDEERO Cc1cccc(C(N)=[NH+]N)c1Br ZINC000235762134 345851957 /nfs/dbraw/zinc/85/19/57/345851957.db2.gz DJUQSMVUDXSDHP-UHFFFAOYSA-N 1 0 228.093 1.337 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCc2ccc(N)cc21 ZINC000140253192 345852619 /nfs/dbraw/zinc/85/26/19/345852619.db2.gz NPSUSPCYQNJLRC-ZDUSSCGKSA-N 1 0 200.285 1.821 10 30 BDEERO N#Cc1c(F)cccc1NC[C@@H]1COCC[NH2+]1 ZINC000236154884 346200342 /nfs/dbraw/zinc/20/03/42/346200342.db2.gz DJMYHVLHRLWMMZ-SECBINFHSA-N 1 0 235.262 1.098 10 30 BDEERO N#Cc1cncc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000401454841 346718522 /nfs/dbraw/zinc/71/85/22/346718522.db2.gz BZDMKBDJZDMHJK-GFCCVEGCSA-N 1 0 245.330 1.668 10 30 BDEERO C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CCC[NH2+]C1 ZINC000401505127 346752379 /nfs/dbraw/zinc/75/23/79/346752379.db2.gz JNCQRNXKGQHWBI-NXEZZACHSA-N 1 0 231.303 1.148 10 30 BDEERO C=CCCCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309782388 347163252 /nfs/dbraw/zinc/16/32/52/347163252.db2.gz NFQGFZYSQAJVQC-NWDGAFQWSA-N 1 0 224.348 1.990 10 30 BDEERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(CC#N)CC#N)c1 ZINC000042965761 179204137 /nfs/dbraw/zinc/20/41/37/179204137.db2.gz ULMCLJWIWFSZPT-OCCSQVGLSA-N 1 0 242.326 1.732 10 30 BDEERO C=C(Cl)CN1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250514028 362807404 /nfs/dbraw/zinc/80/74/04/362807404.db2.gz DSFYIFYJLGIMCV-GHMZBOCLSA-N 1 0 214.740 1.955 10 30 BDEERO C=C(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616569112 347576003 /nfs/dbraw/zinc/57/60/03/347576003.db2.gz GKYYARYOHAFRRM-KBPBESRZSA-N 1 0 244.338 1.906 10 30 BDEERO CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC000594431129 348045752 /nfs/dbraw/zinc/04/57/52/348045752.db2.gz IEAUANNPYTTXBK-VXGBXAGGSA-N 1 0 239.363 1.948 10 30 BDEERO N#Cc1nccnc1NCC1([NH3+])CCCC1 ZINC000594692275 348099875 /nfs/dbraw/zinc/09/98/75/348099875.db2.gz SPJZSNUFXDFRMS-UHFFFAOYSA-N 1 0 217.276 1.032 10 30 BDEERO CN(CC(C)(C)[NH3+])c1cnccc1C#N ZINC000594692686 348099961 /nfs/dbraw/zinc/09/99/61/348099961.db2.gz ANROFKRGRKNSLE-UHFFFAOYSA-N 1 0 204.277 1.127 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ncc(C#N)cc1[N+](=O)[O-] ZINC000594691961 348100147 /nfs/dbraw/zinc/10/01/47/348100147.db2.gz DOFKOUFGVJENNX-UHFFFAOYSA-N 1 0 249.274 1.035 10 30 BDEERO CN1C[C@H](C[NH2+]Cc2ccc(C#N)s2)CC1=O ZINC000594982370 348164917 /nfs/dbraw/zinc/16/49/17/348164917.db2.gz DATGRBJQKKTYGK-VIFPVBQESA-N 1 0 249.339 1.188 10 30 BDEERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(C#N)c1 ZINC000595105816 348196529 /nfs/dbraw/zinc/19/65/29/348196529.db2.gz YYCCAVXZXLKMLJ-JKDOVBDQSA-N 1 0 230.311 1.980 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000595480839 348251963 /nfs/dbraw/zinc/25/19/63/348251963.db2.gz BBJBRPIZZPDZMN-WDEREUQCSA-N 1 0 240.372 1.526 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251803833 362926088 /nfs/dbraw/zinc/92/60/88/362926088.db2.gz OFNOZHYNVAUMEI-NXEZZACHSA-N 1 0 247.180 1.954 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000595981127 348415863 /nfs/dbraw/zinc/41/58/63/348415863.db2.gz MWLJTMLXOBGPCX-DMDPSCGWSA-N 1 0 235.331 1.266 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1ncccc1C#N ZINC000596030077 348426310 /nfs/dbraw/zinc/42/63/10/348426310.db2.gz IBMVBDQROXAWDF-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)cc1F ZINC000596031733 348427322 /nfs/dbraw/zinc/42/73/22/348427322.db2.gz FDAZARAXOZCRHB-QMMMGPOBSA-N 1 0 207.252 1.717 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000596033799 348427981 /nfs/dbraw/zinc/42/79/81/348427981.db2.gz WLEUAXZNNXOOMI-SECBINFHSA-N 1 0 230.315 1.462 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000401933724 348777898 /nfs/dbraw/zinc/77/78/98/348777898.db2.gz DDWRWDRSJMWWAS-ZWNOBZJWSA-N 1 0 231.299 1.156 10 30 BDEERO CC(C)Cc1nc(C#N)c(N2CC[NH2+]CC2)o1 ZINC000616574643 349080604 /nfs/dbraw/zinc/08/06/04/349080604.db2.gz UTPCWJXXYOBTDH-UHFFFAOYSA-N 1 0 234.303 1.154 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000395232375 323222289 /nfs/dbraw/zinc/22/22/89/323222289.db2.gz PLIKYTALUYWZLU-PWSUYJOCSA-N 1 0 222.332 1.552 10 30 BDEERO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000309019355 349304869 /nfs/dbraw/zinc/30/48/69/349304869.db2.gz SUXKOPBFWCEWSN-GHMZBOCLSA-N 1 0 210.321 1.819 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)Cc2ccccc2)C1 ZINC000409440578 350138191 /nfs/dbraw/zinc/13/81/91/350138191.db2.gz LOTSISGGSQFZJM-ZDUSSCGKSA-N 1 0 215.300 1.025 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000401360970 350780241 /nfs/dbraw/zinc/78/02/41/350780241.db2.gz FCWXGRNTMFFDHZ-UTLUCORTSA-N 1 0 247.180 1.966 10 30 BDEERO [NH3+]C1(CC(=O)C2=COCC2)CCCCC1 ZINC000306725370 350894690 /nfs/dbraw/zinc/89/46/90/350894690.db2.gz KKFABKBVHXJDMS-UHFFFAOYSA-N 1 0 209.289 1.911 10 30 BDEERO C=C(CS)C[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000231633376 350991033 /nfs/dbraw/zinc/99/10/33/350991033.db2.gz WVKIGHQJOJTXDM-GHMZBOCLSA-N 1 0 214.378 1.497 10 30 BDEERO C[C@H]1CC[N@@H+](C(C)(C)C=O)CCS1 ZINC000306832730 351145230 /nfs/dbraw/zinc/14/52/30/351145230.db2.gz ONTRLSKXFGNBTR-VIFPVBQESA-N 1 0 201.335 1.791 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000383020681 351166970 /nfs/dbraw/zinc/16/69/70/351166970.db2.gz PLGNHNZIYXBKPU-MRVPVSSYSA-N 1 0 234.259 1.250 10 30 BDEERO C[N@@H+]1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616653618 351193740 /nfs/dbraw/zinc/19/37/40/351193740.db2.gz ZTFQHKCFJZGKQZ-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1cccc([C@@H]2C[N@H+](CCO)CCCO2)c1 ZINC000616649905 351179966 /nfs/dbraw/zinc/17/99/66/351179966.db2.gz OVSULNCTUQMYFN-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO N#Cc1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616662782 351219247 /nfs/dbraw/zinc/21/92/47/351219247.db2.gz FKCVAIFEERLDEB-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO [NH3+]CC#Cc1occc1Br ZINC000068980620 351311331 /nfs/dbraw/zinc/31/13/31/351311331.db2.gz QJNIDZFUOLLQSC-UHFFFAOYSA-N 1 0 200.035 1.352 10 30 BDEERO C#CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000306969616 351386612 /nfs/dbraw/zinc/38/66/12/351386612.db2.gz SITBMZVQRPOLPB-UTLUCORTSA-N 1 0 213.371 1.589 10 30 BDEERO C=C(Br)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000307241247 351746135 /nfs/dbraw/zinc/74/61/35/351746135.db2.gz RDDKNSABZIPJKG-RKDXNWHRSA-N 1 0 233.153 1.577 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[NH2+]CC1 ZINC000022223261 187592086 /nfs/dbraw/zinc/59/20/86/187592086.db2.gz SZSPIEHXIQGVKZ-UHFFFAOYSA-N 1 0 246.270 1.266 10 30 BDEERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411217100 191173073 /nfs/dbraw/zinc/17/30/73/191173073.db2.gz LGBAMRARDIFQQX-WDEREUQCSA-N 1 0 224.304 1.564 10 30 BDEERO Cn1nccc1CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000230777879 352362736 /nfs/dbraw/zinc/36/27/36/352362736.db2.gz SXGPWFUZZAVGMJ-YPMHNXCESA-N 1 0 232.331 1.635 10 30 BDEERO CC[C@H](C#N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044825881 352442361 /nfs/dbraw/zinc/44/23/61/352442361.db2.gz PUWVPOOQNAVJPR-VXGBXAGGSA-N 1 0 239.363 1.629 10 30 BDEERO CCCN/C(=[NH+]/N)[C@@H]1CCC(F)(F)C1 ZINC000300893077 352578199 /nfs/dbraw/zinc/57/81/99/352578199.db2.gz BNUKGUHNXZYPGV-SSDOTTSWSA-N 1 0 205.252 1.694 10 30 BDEERO CC#C[NH2+]C[C@H]1CCc2[nH]c(C)c(C)c2C1=O ZINC000045809477 352670061 /nfs/dbraw/zinc/67/00/61/352670061.db2.gz YCYWZYAZEIWEKZ-LLVKDONJSA-N 1 0 230.311 1.947 10 30 BDEERO CC#CC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160106196 353257705 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/nfs/dbraw/zinc/32/53/91/188325391.db2.gz XCBDJKYYXLZAAB-LBPRGKRZSA-N 1 0 244.338 1.771 10 30 BDEERO N#C[C@H](NC1CCCC1)C1CCOCC1 ZINC000052178920 188332523 /nfs/dbraw/zinc/33/25/23/188332523.db2.gz JWSKYDCZFSOGOJ-LBPRGKRZSA-N 1 0 208.305 1.837 10 30 BDEERO C=CCOc1ccc(OCC)c(C(N)=[NH2+])c1 ZINC000039098832 188357100 /nfs/dbraw/zinc/35/71/00/188357100.db2.gz YKZXRSFZEBXMRX-UHFFFAOYSA-N 1 0 220.272 1.934 10 30 BDEERO C[C@@H]1C[N@@H+](CCCS)C[C@H](C)N1C ZINC000129548740 353372812 /nfs/dbraw/zinc/37/28/12/353372812.db2.gz CUOKOBPHAZWDNX-AOOOYVTPSA-N 1 0 202.367 1.331 10 30 BDEERO C/C(=N/O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000216635747 188355537 /nfs/dbraw/zinc/35/55/37/188355537.db2.gz XHJCYRIQWZMLHM-UROBUVALSA-N 1 0 234.299 1.738 10 30 BDEERO SCCc1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000083347543 188355742 /nfs/dbraw/zinc/35/57/42/188355742.db2.gz IUZJJYILAHMBJA-ZETCQYMHSA-N 1 0 213.306 1.009 10 30 BDEERO C#CCNC[C@H](C)[NH+]1CCC(C)(C)CC1 ZINC000061823484 188360576 /nfs/dbraw/zinc/36/05/76/188360576.db2.gz BDWYETGANPPPCB-LBPRGKRZSA-N 1 0 208.349 1.720 10 30 BDEERO C=C(Br)CN1CCCC[C@@H]1C[NH3+] ZINC000044559274 188397113 /nfs/dbraw/zinc/39/71/13/188397113.db2.gz NPTWZZLRHBKLPL-SECBINFHSA-N 1 0 233.153 1.708 10 30 BDEERO C=CCNC(=O)[C@@H](C)OCC[C@@H]1CCC[NH2+]C1 ZINC000051917370 166384233 /nfs/dbraw/zinc/38/42/33/166384233.db2.gz GHGNCMLHCBIJQA-NEPJUHHUSA-N 1 0 240.347 1.083 10 30 BDEERO C=CCc1ccccc1OCC[NH2+]CCN(C)C ZINC000053589031 188401229 /nfs/dbraw/zinc/40/12/29/188401229.db2.gz VMKAIZCVYCVXTB-UHFFFAOYSA-N 1 0 248.370 1.945 10 30 BDEERO C[NH2+]CCC1CCN(c2ccncc2C#N)CC1 ZINC000399065509 353764195 /nfs/dbraw/zinc/76/41/95/353764195.db2.gz BEMTVIHIPPGKJI-UHFFFAOYSA-N 1 0 244.342 1.779 10 30 BDEERO CCCNC1=CC(=O)[C@@H](C(=O)OC)C(C)(C)C1 ZINC000606303545 353859220 /nfs/dbraw/zinc/85/92/20/353859220.db2.gz SVJXMYKKHOCAFB-NSHDSACASA-N 1 0 239.315 1.658 10 30 BDEERO N#CC1(N2CC[NH2+]CC2)CCCCCC1 ZINC000019394889 181029685 /nfs/dbraw/zinc/02/96/85/181029685.db2.gz IYJKUNPRDZVXHP-UHFFFAOYSA-N 1 0 207.321 1.508 10 30 BDEERO N#C[C@@H](CCc1ccccc1)N1CC[NH2+]CC1 ZINC000061625187 181054289 /nfs/dbraw/zinc/05/42/89/181054289.db2.gz GDMDSNFKMIKJSY-CQSZACIVSA-N 1 0 229.327 1.417 10 30 BDEERO N#C[C@@H](N)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000062436865 181055765 /nfs/dbraw/zinc/05/57/65/181055765.db2.gz MOWYPWNDEOSZHD-STQMWFEESA-N 1 0 221.348 1.882 10 30 BDEERO N#C[C@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000019391028 181063312 /nfs/dbraw/zinc/06/33/12/181063312.db2.gz HNGQUNIJQDVFHI-ZDUSSCGKSA-N 1 0 215.300 1.026 10 30 BDEERO N#C[C@H](CCc1ccccc1)N1CC[NH2+]CC1 ZINC000061625186 181063660 /nfs/dbraw/zinc/06/36/60/181063660.db2.gz GDMDSNFKMIKJSY-AWEZNQCLSA-N 1 0 229.327 1.417 10 30 BDEERO N#C[C@H](c1ccc(F)cc1)N1CCC[NH2+]CC1 ZINC000037940488 181066984 /nfs/dbraw/zinc/06/69/84/181066984.db2.gz RURRGMLHSJRQSQ-CYBMUJFWSA-N 1 0 233.290 1.686 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000054825374 181058395 /nfs/dbraw/zinc/05/83/95/181058395.db2.gz AUPAOICEMUUJJR-CMPLNLGQSA-N 1 0 208.305 1.837 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000054828282 181059861 /nfs/dbraw/zinc/05/98/61/181059861.db2.gz AAHAFJFZOZQVNT-QWHCGFSZSA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000061890435 181060100 /nfs/dbraw/zinc/06/01/00/181060100.db2.gz PPIQEYGBFPYPSX-NWDGAFQWSA-N 1 0 235.331 1.185 10 30 BDEERO N#Cc1c(Cl)cccc1NCCC[NH3+] ZINC000052906386 181073302 /nfs/dbraw/zinc/07/33/02/181073302.db2.gz RQGHHUZOXVYWNG-UHFFFAOYSA-N 1 0 209.680 1.972 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000054825546 181068671 /nfs/dbraw/zinc/06/86/71/181068671.db2.gz YLKKMEWAPHCRIO-OLZOCXBDSA-N 1 0 215.300 1.906 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000035124224 166389133 /nfs/dbraw/zinc/38/91/33/166389133.db2.gz NTJXLVGUZYNLGT-MNOVXSKESA-N 1 0 233.315 1.423 10 30 BDEERO N#Cc1cc(Br)nc(C[NH3+])c1 ZINC000095766598 181083141 /nfs/dbraw/zinc/08/31/41/181083141.db2.gz VWADWOICZABAQU-UHFFFAOYSA-N 1 0 212.050 1.174 10 30 BDEERO N#Cc1cc(C[NH2+]C[C@H]2CCCO2)ccc1F ZINC000083360866 181086374 /nfs/dbraw/zinc/08/63/74/181086374.db2.gz QMMARPMUEWAHEI-GFCCVEGCSA-N 1 0 234.274 1.966 10 30 BDEERO N#Cc1cc(NC2CC[NH2+]CC2)ccc1F ZINC000051636170 181091108 /nfs/dbraw/zinc/09/11/08/181091108.db2.gz DPONYHVDVYPOJZ-UHFFFAOYSA-N 1 0 219.263 1.861 10 30 BDEERO N#Cc1cc(O[C@H]2CCC[NH2+]C2)ccn1 ZINC000061813101 181092238 /nfs/dbraw/zinc/09/22/38/181092238.db2.gz OKOFCEJGAHRZFJ-NSHDSACASA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1cc(OC[C@@H]2CCC[NH2+]2)ccn1 ZINC000061813069 181092292 /nfs/dbraw/zinc/09/22/92/181092292.db2.gz ACSHRCIUSHMDSO-VIFPVBQESA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc(C[NH2+]CCn2cncn2)s1 ZINC000165226126 181107845 /nfs/dbraw/zinc/10/78/45/181107845.db2.gz WBXODFHHQYRTDE-UHFFFAOYSA-N 1 0 233.300 1.001 10 30 BDEERO N#Cc1ccc(CO[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051782443 181110768 /nfs/dbraw/zinc/11/07/68/181110768.db2.gz OVUUWVSFVGSUCE-NSHDSACASA-N 1 0 220.247 1.576 10 30 BDEERO N#Cc1ccc(C[C@@H]2COCC[C@H]2[NH3+])cc1 ZINC000095077449 181110829 /nfs/dbraw/zinc/11/08/29/181110829.db2.gz XGMBHKYEJABGDU-CHWSQXEVSA-N 1 0 216.284 1.465 10 30 BDEERO N#Cc1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000083371667 181106429 /nfs/dbraw/zinc/10/64/29/181106429.db2.gz MMOMLWXRJLFJDS-CYBMUJFWSA-N 1 0 243.310 1.302 10 30 BDEERO N#Cc1ccc(NC2CC([NH3+])C2)c(F)c1 ZINC000036886636 181119253 /nfs/dbraw/zinc/11/92/53/181119253.db2.gz FJNVFKYIMDBKIN-UHFFFAOYSA-N 1 0 205.236 1.599 10 30 BDEERO N#Cc1ccc(N[C@@H]2C[C@@H]2[NH3+])c(Cl)c1 ZINC000062791267 181125736 /nfs/dbraw/zinc/12/57/36/181125736.db2.gz WZNUVPOKTNSZKR-WCBMZHEXSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(OCC[NH3+])cc1C(F)(F)F ZINC000051870112 181127423 /nfs/dbraw/zinc/12/74/23/181127423.db2.gz SWEBGKGJSMSDOY-UHFFFAOYSA-N 1 0 230.189 1.915 10 30 BDEERO N#Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1Cl ZINC000061847577 181128833 /nfs/dbraw/zinc/12/88/33/181128833.db2.gz XQQWHMSXMFCULG-SNVBAGLBSA-N 1 0 222.675 1.952 10 30 BDEERO N#Cc1cccc2c1[C@H](O)[C@H]([NH3+])CCC2 ZINC000019795536 181144372 /nfs/dbraw/zinc/14/43/72/181144372.db2.gz RRXPVOTVQBERML-ZYHUDNBSSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043324221 181149289 /nfs/dbraw/zinc/14/92/89/181149289.db2.gz IYDNJQNCLSSUHN-LLVKDONJSA-N 1 0 201.273 1.722 10 30 BDEERO N#Cc1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043324223 181149542 /nfs/dbraw/zinc/14/95/42/181149542.db2.gz IYDNJQNCLSSUHN-NSHDSACASA-N 1 0 201.273 1.722 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000020033720 166399149 /nfs/dbraw/zinc/39/91/49/166399149.db2.gz FRZFWMNQMCLGMM-UHFFFAOYSA-N 1 0 204.273 1.709 10 30 BDEERO N/C(=N\O)c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000019472873 181181455 /nfs/dbraw/zinc/18/14/55/181181455.db2.gz WTECGGAFYVTTHQ-UHFFFAOYSA-N 1 0 237.278 1.516 10 30 BDEERO N#Cc1ccc(Cn2cncc2CCCO)cc1 ZINC000034123980 355797863 /nfs/dbraw/zinc/79/78/63/355797863.db2.gz ACOYOVQVLSTOMH-UHFFFAOYSA-N 1 0 241.294 1.728 10 30 in-vivo BDEERO C[C@@H]1CN(CC2(CC#N)CC2)C[C@@H]1[NH+](C)C ZINC000124134561 356525644 /nfs/dbraw/zinc/52/56/44/356525644.db2.gz SLZKOVOXQUNTLA-NEPJUHHUSA-N 1 0 221.348 1.562 10 30 BDEERO C[C@H]([NH3+])CCNc1c(F)cc(C#N)cc1F ZINC000088125068 356519383 /nfs/dbraw/zinc/51/93/83/356519383.db2.gz MEDWMXVQUGCZHH-ZETCQYMHSA-N 1 0 225.242 1.986 10 30 BDEERO C[C@@H]1[C@H](C)N(C(=O)CC(C)(C)C#N)CC[N@H+]1C ZINC000336631230 134152142 /nfs/dbraw/zinc/15/21/42/134152142.db2.gz JJZDSQQXUXFXBY-MNOVXSKESA-N 1 0 237.347 1.477 10 30 BDEERO N#Cc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000675076963 538512805 /nfs/dbraw/zinc/51/28/05/538512805.db2.gz VBRSCHYNSXDEMW-UHFFFAOYSA-N 1 0 224.267 1.525 10 30 BDEERO C[C@@H](C[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131302246 325135386 /nfs/dbraw/zinc/13/53/86/325135386.db2.gz LUJGATYCKXSALB-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCN2CCC[C@@H]12 ZINC000219280608 357382939 /nfs/dbraw/zinc/38/29/39/357382939.db2.gz ZEJMEXAZBDRFEB-ZJUUUORDSA-N 1 0 245.164 1.721 10 30 BDEERO C=C(Br)CN1CCC[C@@H]1C[NH3+] ZINC000168918763 357994306 /nfs/dbraw/zinc/99/43/06/357994306.db2.gz QWWWXHGJFSBOEY-MRVPVSSYSA-N 1 0 219.126 1.318 10 30 BDEERO CCCCCCCCC[NH2+][C@H]1CNC1=O ZINC000584610751 358273733 /nfs/dbraw/zinc/27/37/33/358273733.db2.gz BQRIQHAHBKJCGB-NSHDSACASA-N 1 0 212.337 1.825 10 30 BDEERO C=C(Br)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169097552 358737199 /nfs/dbraw/zinc/73/71/99/358737199.db2.gz LPBLXPGRHHNONA-ZJUUUORDSA-N 1 0 245.164 1.721 10 30 BDEERO C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C#N ZINC000224380072 359578033 /nfs/dbraw/zinc/57/80/33/359578033.db2.gz BPYUCMXNIXNWKJ-IJLUTSLNSA-N 1 0 207.321 1.362 10 30 BDEERO CC[C@@H](C[NH3+])C(=O)C#Cc1ccccc1 ZINC000306326019 359610044 /nfs/dbraw/zinc/61/00/44/359610044.db2.gz WTAUDPQJMANRPJ-LBPRGKRZSA-N 1 0 201.269 1.592 10 30 BDEERO C=C(Br)CNC1=[NH+]CC(C)(C)CN1 ZINC000306332896 359633134 /nfs/dbraw/zinc/63/31/34/359633134.db2.gz DBTFRIJQRDVGAL-UHFFFAOYSA-N 1 0 246.152 1.470 10 30 BDEERO C=C([C@H]([NH3+])c1cncnc1)C(F)(F)F ZINC000306331624 359633173 /nfs/dbraw/zinc/63/31/73/359633173.db2.gz GHTDFFLWCVQGLG-ZETCQYMHSA-N 1 0 203.167 1.595 10 30 BDEERO C#CCOc1cccc(C[NH2+][C@@H](CC)CO)c1 ZINC000045945665 359745905 /nfs/dbraw/zinc/74/59/05/359745905.db2.gz WMXIWYDJAPSFIC-ZDUSSCGKSA-N 1 0 233.311 1.559 10 30 BDEERO C=CCCCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000120834816 360073966 /nfs/dbraw/zinc/07/39/66/360073966.db2.gz UQSLBKWIZKMZEP-LBPRGKRZSA-N 1 0 210.321 1.553 10 30 BDEERO C[C@H]1C[N@H+](CC2(C=O)CCCC2)C[C@@H]1O ZINC000306628093 361298896 /nfs/dbraw/zinc/29/88/96/361298896.db2.gz JGNUEQLENRYODH-QWRGUYRKSA-N 1 0 211.305 1.058 10 30 BDEERO [NH3+]CC#Cc1cccc(NC(=O)c2ccoc2)c1 ZINC000037551227 181346136 /nfs/dbraw/zinc/34/61/36/181346136.db2.gz LTFCXOULKANMHN-UHFFFAOYSA-N 1 0 240.262 1.842 10 30 BDEERO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037165052 361710248 /nfs/dbraw/zinc/71/02/48/361710248.db2.gz OEXGZCBONPQIRM-KGLIPLIRSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1NC(=O)CC1CC1 ZINC000049731609 181346042 /nfs/dbraw/zinc/34/60/42/181346042.db2.gz RYJNYGJIFOGCTF-UHFFFAOYSA-N 1 0 246.285 1.875 10 30 BDEERO [NH3+]CC#Cc1ccc(NC(=O)C2CCC2)cc1 ZINC000037551037 181346881 /nfs/dbraw/zinc/34/68/81/181346881.db2.gz HMJAKDYLOPWQJD-UHFFFAOYSA-N 1 0 228.295 1.735 10 30 BDEERO [NH3+]CC#Cc1cnc(NC(=O)c2ccco2)s1 ZINC000037550680 181347431 /nfs/dbraw/zinc/34/74/31/181347431.db2.gz RYKIDDZDTKXPKY-UHFFFAOYSA-N 1 0 247.279 1.299 10 30 BDEERO [NH3+]CC#Cc1ccccc1C(=O)NC1CCC1 ZINC000052214077 181346378 /nfs/dbraw/zinc/34/63/78/181346378.db2.gz ZGLIYWNNYOUHQZ-UHFFFAOYSA-N 1 0 228.295 1.279 10 30 BDEERO [NH3+]CC#Cc1ccc(F)c(C(=O)N2CCCC2)c1 ZINC000037569763 181346446 /nfs/dbraw/zinc/34/64/46/181346446.db2.gz XPTLGDPWFUWROP-UHFFFAOYSA-N 1 0 246.285 1.372 10 30 BDEERO C=C(Br)COC1CC[NH2+]CC1 ZINC000037681822 364517255 /nfs/dbraw/zinc/51/72/55/364517255.db2.gz AANQUNRQGFYFAT-UHFFFAOYSA-N 1 0 220.110 1.664 10 30 BDEERO N#CCCOCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000338921888 365442200 /nfs/dbraw/zinc/44/22/00/365442200.db2.gz OPTATVCIVAXDSQ-OLZOCXBDSA-N 1 0 238.331 1.560 10 30 BDEERO N#Cc1cccc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000581419592 367462557 /nfs/dbraw/zinc/46/25/57/367462557.db2.gz CUPXQLIOFCNUFZ-CQSZACIVSA-N 1 0 242.326 1.533 10 30 BDEERO C=C[C@H]([NH2+]C)[C@H]1SCCS[C@H]1C ZINC000252717404 367827689 /nfs/dbraw/zinc/82/76/89/367827689.db2.gz BFHVIBFDQJUCQE-CIUDSAMLSA-N 1 0 203.376 1.998 10 30 BDEERO O=C(C[n+]1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000048523591 368377467 /nfs/dbraw/zinc/37/74/67/368377467.db2.gz HAPNPZLKRJCWKE-UHFFFAOYSA-N 1 0 244.230 1.160 10 30 BDEERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037853691 369335999 /nfs/dbraw/zinc/33/59/99/369335999.db2.gz OGLLIAHIHPFVOD-GFCCVEGCSA-N 1 0 248.326 1.686 10 30 BDEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)cn1 ZINC000404849271 369437448 /nfs/dbraw/zinc/43/74/48/369437448.db2.gz PXURQKUCOWMFLQ-UHFFFAOYSA-N 1 0 216.288 1.494 10 30 BDEERO CN(CCOCC[NH3+])c1cccc(F)c1C#N ZINC000600955723 369576084 /nfs/dbraw/zinc/57/60/84/369576084.db2.gz FOIMBPMSXDQJIN-UHFFFAOYSA-N 1 0 237.278 1.109 10 30 BDEERO N#Cc1cccnc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959208 369575379 /nfs/dbraw/zinc/57/53/79/369575379.db2.gz TUYSSRHBKJILSQ-LBPRGKRZSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1nccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962476 369579381 /nfs/dbraw/zinc/57/93/81/369579381.db2.gz DNYQGIHIAWABSA-MGCOHNPYSA-N 1 0 231.303 1.278 10 30 BDEERO Cc1nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1C#N ZINC000600961736 369580204 /nfs/dbraw/zinc/58/02/04/369580204.db2.gz RKVIVHLSFQMAGT-SKDRFNHKSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(F)cc1C#N ZINC000600962095 369580685 /nfs/dbraw/zinc/58/06/85/369580685.db2.gz AAXKEZYGCZNAIW-GZMMTYOYSA-N 1 0 219.263 1.623 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(F)cc1C#N ZINC000600962102 369581644 /nfs/dbraw/zinc/58/16/44/369581644.db2.gz AAXKEZYGCZNAIW-KCJUWKMLSA-N 1 0 219.263 1.623 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251527711 369847734 /nfs/dbraw/zinc/84/77/34/369847734.db2.gz JXPPXUUIYKVULU-VWYCJHECSA-N 1 0 223.320 1.122 10 30 BDEERO CC[C@H]1CN(c2nc(C)ccc2C#N)CC[C@H]1[NH3+] ZINC000251860301 369979587 /nfs/dbraw/zinc/97/95/87/369979587.db2.gz SSHFYSNQQMYIAE-WCQYABFASA-N 1 0 244.342 1.825 10 30 BDEERO C[C@H]1CCCN(c2cc(C#N)ccn2)[C@H]1C[NH3+] ZINC000252172825 370000174 /nfs/dbraw/zinc/00/01/74/370000174.db2.gz OHVVAAMRPKTKMO-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000252738092 370121181 /nfs/dbraw/zinc/12/11/81/370121181.db2.gz CVISCHAWBUHRDK-FIQHERPVSA-N 1 0 208.305 1.836 10 30 BDEERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309910245 370274755 /nfs/dbraw/zinc/27/47/55/370274755.db2.gz MGNJJSSWYZSNQR-UMSGYPCISA-N 1 0 221.348 1.608 10 30 BDEERO N#Cc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310935196 370373074 /nfs/dbraw/zinc/37/30/74/370373074.db2.gz IGPKOZKJHAABMZ-KKUMJFAQSA-N 1 0 241.338 1.727 10 30 BDEERO N#Cc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310935198 370373126 /nfs/dbraw/zinc/37/31/26/370373126.db2.gz IGPKOZKJHAABMZ-SOUVJXGZSA-N 1 0 241.338 1.727 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1cnccn1 ZINC000389941922 371183810 /nfs/dbraw/zinc/18/38/10/371183810.db2.gz LQXKLPPMVIZZEH-WCQYABFASA-N 1 0 230.315 1.691 10 30 BDEERO Cc1nccn1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000390570142 371217595 /nfs/dbraw/zinc/21/75/95/371217595.db2.gz NAPRPHJUAZCTBL-RYUDHWBXSA-N 1 0 218.304 1.473 10 30 BDEERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(C#N)cc2F)CCO1 ZINC000132985225 371963867 /nfs/dbraw/zinc/96/38/67/371963867.db2.gz HAGJBFNBARIRBX-NOZJJQNGSA-N 1 0 249.289 1.250 10 30 BDEERO C#CC[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000228282748 372012305 /nfs/dbraw/zinc/01/23/05/372012305.db2.gz GHKMNUVWDLTRQT-XHNCKOQMSA-N 1 0 201.360 1.574 10 30 BDEERO OCC#Cc1ccccc1C[NH+]1CCSCC1 ZINC000049617022 183033924 /nfs/dbraw/zinc/03/39/24/183033924.db2.gz PNKQEFMUAJHHPA-UHFFFAOYSA-N 1 0 247.363 1.579 10 30 BDEERO CCC[N@H+](C)Cc1ccc(/C(N)=N/O)cc1F ZINC000037098466 169080981 /nfs/dbraw/zinc/08/09/81/169080981.db2.gz NPTBWFGDUXFDTM-UHFFFAOYSA-N 1 0 239.294 1.762 10 30 BDEERO CCCNC1(C#N)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524117 169254970 /nfs/dbraw/zinc/25/49/70/169254970.db2.gz KBUOVAUBYYQWGJ-FOSCPWQOSA-N 1 0 207.321 1.505 10 30 BDEERO CCC[C@@H](C)[N@H+](C)CC(=O)N(C)CCC#N ZINC000035238610 169363616 /nfs/dbraw/zinc/36/36/16/169363616.db2.gz IDCGHOOJLHOSDB-LLVKDONJSA-N 1 0 225.336 1.479 10 30 BDEERO C#CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000069768716 383846098 /nfs/dbraw/zinc/84/60/98/383846098.db2.gz MXZLRPUELTYLFT-GFCCVEGCSA-N 1 0 201.269 1.992 10 30 BDEERO CC(C)(C)OC(=O)[C@@H](C=O)[C@@H]([NH3+])C(C)(C)C ZINC000091368768 384123321 /nfs/dbraw/zinc/12/33/21/384123321.db2.gz SQPCRWIJGQALTK-DTWKUNHWSA-N 1 0 229.320 1.517 10 30 BDEERO Cn1cc([C@H]2CC[N@H+](CCCC#N)C2)cn1 ZINC000116314750 384128465 /nfs/dbraw/zinc/12/84/65/384128465.db2.gz KZLMOQFZTSYYID-NSHDSACASA-N 1 0 218.304 1.513 10 30 BDEERO C[C@@H](C[NH3+])CNc1ccc(F)cc1C#N ZINC000336719258 384255959 /nfs/dbraw/zinc/25/59/59/384255959.db2.gz ZBQKIFBFHODELS-QMMMGPOBSA-N 1 0 207.252 1.704 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335591287 384354439 /nfs/dbraw/zinc/35/44/39/384354439.db2.gz SAVJQXJLJIUSAL-GXFFZTMASA-N 1 0 248.301 1.900 10 30 BDEERO C[C@H](C[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000082576385 384399863 /nfs/dbraw/zinc/39/98/63/384399863.db2.gz TWKNMMLJHDMSJH-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO C[C@H](C[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000082576241 384400167 /nfs/dbraw/zinc/40/01/67/384400167.db2.gz USHAJGKTYOIICZ-MRVPVSSYSA-N 1 0 216.288 1.201 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000235604012 384463464 /nfs/dbraw/zinc/46/34/64/384463464.db2.gz IMIJSEOGQPGQQO-NOZJJQNGSA-N 1 0 234.274 1.964 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1ccc(C#N)cc1F ZINC000082640330 384512527 /nfs/dbraw/zinc/51/25/27/384512527.db2.gz HLBDPYAVARDUSQ-QMMMGPOBSA-N 1 0 207.252 1.481 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1ncccc1C#N ZINC000082668128 384529647 /nfs/dbraw/zinc/52/96/47/384529647.db2.gz QAQQKIPOFHSOIS-LLVKDONJSA-N 1 0 218.304 1.739 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000310966169 384592514 /nfs/dbraw/zinc/59/25/14/384592514.db2.gz CKUAMUZXTHVRGH-QMTHXVAHSA-N 1 0 244.342 1.683 10 30 BDEERO Cc1ccc(C#N)c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071190227 384694276 /nfs/dbraw/zinc/69/42/76/384694276.db2.gz KMDOONSPHAKPRW-GFCCVEGCSA-N 1 0 244.342 1.650 10 30 BDEERO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000135481931 384828833 /nfs/dbraw/zinc/82/88/33/384828833.db2.gz QONPKIKPSFEDGF-BXKDBHETSA-N 1 0 220.272 1.808 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000320682424 384791899 /nfs/dbraw/zinc/79/18/99/384791899.db2.gz LLRPGFANXCYBBS-SFYZADRCSA-N 1 0 219.292 1.194 10 30 BDEERO N#Cc1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536953331 384804719 /nfs/dbraw/zinc/80/47/19/384804719.db2.gz JAVCPILWCJBQPB-ZDUSSCGKSA-N 1 0 230.311 1.763 10 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BDEERO CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424102714 387527219 /nfs/dbraw/zinc/52/72/19/387527219.db2.gz LTVOWGWWQLYEQC-QWRGUYRKSA-N 1 0 225.336 1.558 10 30 BDEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424134043 387638950 /nfs/dbraw/zinc/63/89/50/387638950.db2.gz HLJQVIWQOPCHHB-PWSUYJOCSA-N 1 0 237.347 1.702 10 30 BDEERO CC(C)(C)OC(=O)N[C@@]1(C#N)CCC[NH2+]CC1 ZINC000575573096 387753927 /nfs/dbraw/zinc/75/39/27/387753927.db2.gz YZPBBZBHIWXPJF-LBPRGKRZSA-N 1 0 239.319 1.547 10 30 BDEERO C=C(Br)CN1CCC(C)([NH3+])CC1 ZINC000575568228 387727200 /nfs/dbraw/zinc/72/72/00/387727200.db2.gz NBTMCMABWNQRDV-UHFFFAOYSA-N 1 0 233.153 1.708 10 30 BDEERO C#CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510592 387918876 /nfs/dbraw/zinc/91/88/76/387918876.db2.gz XFQIYJNGIZMCHG-GFCCVEGCSA-N 1 0 244.342 1.775 10 30 BDEERO Cn1nccc1C1CC[NH+](CCCC#N)CC1 ZINC000195502613 387915027 /nfs/dbraw/zinc/91/50/27/387915027.db2.gz PZXOHTCYUKOQBA-UHFFFAOYSA-N 1 0 232.331 1.903 10 30 BDEERO Cc1cc(C)c(C#N)c(OCC[NH2+]C(C)C)n1 ZINC000051871618 177837599 /nfs/dbraw/zinc/83/75/99/177837599.db2.gz WPDODYZRSSJUSZ-UHFFFAOYSA-N 1 0 233.315 1.947 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)C#N ZINC000083550514 388055151 /nfs/dbraw/zinc/05/51/51/388055151.db2.gz WLLDFFGPRQUGEM-GHMZBOCLSA-N 1 0 235.331 1.231 10 30 BDEERO N#Cc1cc(C[N@H+]2CC[C@H](CCO)C2)ccc1F ZINC000229751031 388397222 /nfs/dbraw/zinc/39/72/22/388397222.db2.gz SBEHWVIGKSTXES-LLVKDONJSA-N 1 0 248.301 1.902 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)o1 ZINC000245782639 388432322 /nfs/dbraw/zinc/43/23/22/388432322.db2.gz UNEGAKGKBNTLDO-NEPJUHHUSA-N 1 0 245.326 1.820 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000250255988 388589325 /nfs/dbraw/zinc/58/93/25/388589325.db2.gz SMDXIOUUMUEYPP-AWEZNQCLSA-N 1 0 242.326 1.628 10 30 BDEERO CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037850557 388598475 /nfs/dbraw/zinc/59/84/75/388598475.db2.gz HYOAEFXWPNIMLL-CYBMUJFWSA-N 1 0 248.326 1.688 10 30 BDEERO C[C@H](CCC[NH3+])Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000311059302 388673195 /nfs/dbraw/zinc/67/31/95/388673195.db2.gz JNXLAKPHANROIT-MRVPVSSYSA-N 1 0 249.274 1.401 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000311059304 388673579 /nfs/dbraw/zinc/67/35/79/388673579.db2.gz JNXLAKPHANROIT-QMMMGPOBSA-N 1 0 249.274 1.401 10 30 BDEERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(C#N)cc1 ZINC000091538537 388634774 /nfs/dbraw/zinc/63/47/74/388634774.db2.gz PHVUYWUILDDPOM-PWQPVHBWSA-N 1 0 230.311 1.980 10 30 BDEERO N#Cc1cccc2c1CN(C(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000405107574 388637341 /nfs/dbraw/zinc/63/73/41/388637341.db2.gz ZHCIIJKTQJLQOS-LLVKDONJSA-N 1 0 241.294 1.010 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308238323 388658544 /nfs/dbraw/zinc/65/85/44/388658544.db2.gz IHPQTFIWOYTNDA-PRHODGIISA-N 1 0 216.288 1.045 10 30 BDEERO CN(CC1CC[NH2+]CC1)c1cc(C#N)ccn1 ZINC000094043198 388749016 /nfs/dbraw/zinc/74/90/16/388749016.db2.gz FPALSSRWXQFBRL-UHFFFAOYSA-N 1 0 230.315 1.389 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000282233968 388813538 /nfs/dbraw/zinc/81/35/38/388813538.db2.gz FSFZIXUJQJOAGP-GWCFXTLKSA-N 1 0 243.310 1.315 10 30 BDEERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095075927 388758146 /nfs/dbraw/zinc/75/81/46/388758146.db2.gz DBJSFVMTFWAVNW-KBPBESRZSA-N 1 0 230.311 1.725 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000564574723 388878356 /nfs/dbraw/zinc/87/83/56/388878356.db2.gz FWXSEIPJRUHWFY-VXGBXAGGSA-N 1 0 209.337 1.562 10 30 BDEERO C[C@H]1CN(c2ccnc(C#N)c2)C[C@H](C)[NH2+]1 ZINC000061811530 132387319 /nfs/dbraw/zinc/38/73/19/132387319.db2.gz MRKRCVPIBJTTHN-UWVGGRQHSA-N 1 0 216.288 1.140 10 30 BDEERO N#Cc1ccnc(N2CCC[C@H]([NH3+])C2)c1Cl ZINC000236331126 132429514 /nfs/dbraw/zinc/42/95/14/132429514.db2.gz SHUAKRUVQBTEOY-VIFPVBQESA-N 1 0 236.706 1.534 10 30 BDEERO C[C@H]1CCCN(c2ncccc2C#N)[C@H]1C[NH3+] ZINC000252209271 132457416 /nfs/dbraw/zinc/45/74/16/132457416.db2.gz VWVISRVRJNHYIS-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO COc1c(CN[C@@H]2CCC[C@@H]2C#N)c(C)nn1C ZINC000168913614 134248555 /nfs/dbraw/zinc/24/85/55/134248555.db2.gz CIBKKHKMYKFDBB-ZYHUDNBSSA-N 1 0 248.330 1.519 10 30 BDEERO C[C@H](CC#N)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220289718 134301621 /nfs/dbraw/zinc/30/16/21/134301621.db2.gz GAMOWWIKURNUOH-UPJWGTAASA-N 1 0 222.332 1.916 10 30 BDEERO N#CCCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183815403 134356564 /nfs/dbraw/zinc/35/65/64/134356564.db2.gz MOFISTRIMNHRLN-UHFFFAOYSA-N 1 0 244.342 1.897 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250874660 135060384 /nfs/dbraw/zinc/06/03/84/135060384.db2.gz TVCUAIDMCCHULU-TUAOUCFPSA-N 1 0 208.305 1.837 10 30 BDEERO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCC[C@H]1O ZINC000252432374 135088663 /nfs/dbraw/zinc/08/86/63/135088663.db2.gz FVZSNAWFYZXNSC-GRYCIOLGSA-N 1 0 210.321 1.771 10 30 BDEERO Cc1c(CN[C@@H]2CCC[C@@H]2C#N)cnn1C ZINC000086552078 135089633 /nfs/dbraw/zinc/08/96/33/135089633.db2.gz SXKACGWAOVCKCW-ZYHUDNBSSA-N 1 0 218.304 1.510 10 30 BDEERO CC[C@H](C)C[N@@H+]1CCCC[C@H]1C(N)=NO ZINC000252465446 135090524 /nfs/dbraw/zinc/09/05/24/135090524.db2.gz FOZNJJIBVRUHGM-UWVGGRQHSA-N 1 0 213.325 1.633 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C#N)CCC1 ZINC000252661847 135094813 /nfs/dbraw/zinc/09/48/13/135094813.db2.gz QGUDIUAXXCJCOD-RYUDHWBXSA-N 1 0 247.342 1.375 10 30 BDEERO CC1(C)CN(c2cccc(C#N)n2)CC[C@@H]1[NH3+] ZINC000261541564 135181588 /nfs/dbraw/zinc/18/15/88/135181588.db2.gz BIKQAPYZZTUZQR-NSHDSACASA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CCN(c2cc(C#N)ccn2)[C@H](C[NH3+])C1 ZINC000261541580 135181711 /nfs/dbraw/zinc/18/17/11/135181711.db2.gz KOGSAWHQALSWKM-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CCN(c2ncccc2C#N)[C@H](C[NH3+])C1 ZINC000261542566 135182995 /nfs/dbraw/zinc/18/29/95/135182995.db2.gz PLZINLUFKZANAO-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO CC1(C)CN(c2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC000261552271 135191374 /nfs/dbraw/zinc/19/13/74/135191374.db2.gz MUUBTLBQTZGYAC-NSHDSACASA-N 1 0 230.315 1.517 10 30 BDEERO CC1(C)CN(c2cccnc2C#N)CC[C@@H]1[NH3+] ZINC000261552566 135191485 /nfs/dbraw/zinc/19/14/85/135191485.db2.gz NBFMIVPJCABALE-LBPRGKRZSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261572942 135214528 /nfs/dbraw/zinc/21/45/28/135214528.db2.gz MCJKPBRMXRBTDW-GXFFZTMASA-N 1 0 244.342 1.825 10 30 BDEERO Cc1nc(N2CC[C@H]([NH3+])C(C)(C)C2)ccc1C#N ZINC000261586802 135227819 /nfs/dbraw/zinc/22/78/19/135227819.db2.gz UPDAHYLCRDZFHQ-LBPRGKRZSA-N 1 0 244.342 1.825 10 30 BDEERO CNC(N[C@H](C)c1ccc(C)c(F)c1)=[NH+]C ZINC000261962860 135267005 /nfs/dbraw/zinc/26/70/05/135267005.db2.gz KQNXTLUTDHYPJO-SECBINFHSA-N 1 0 223.295 1.990 10 30 BDEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262031762 135275142 /nfs/dbraw/zinc/27/51/42/135275142.db2.gz XMNUQJDEZFDTGA-TUAOUCFPSA-N 1 0 244.766 1.486 10 30 BDEERO C[C@@H]1C[C@H]1NC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262554646 135305642 /nfs/dbraw/zinc/30/56/42/135305642.db2.gz UPNGAOKVSLFKBE-ADEWGFFLSA-N 1 0 245.326 1.823 10 30 BDEERO CN(C)C(=[NH2+])NC[C@H](O)c1ccc(Cl)s1 ZINC000262551344 135305654 /nfs/dbraw/zinc/30/56/54/135305654.db2.gz YMQHLCYMNHXICC-LURJTMIESA-N 1 0 247.751 1.311 10 30 BDEERO N#Cc1ccc(F)c(CNC2=[NH+]CCCN2)c1 ZINC000262607016 135308185 /nfs/dbraw/zinc/30/81/85/135308185.db2.gz ABEZBEHRIZWOGJ-UHFFFAOYSA-N 1 0 232.262 1.136 10 30 BDEERO CNC(N[C@@H]1C[C@@]1(C)c1ccccc1OC)=[NH+]C ZINC000262667128 135312501 /nfs/dbraw/zinc/31/25/01/135312501.db2.gz NTZPKQBRSIFUHQ-OCCSQVGLSA-N 1 0 247.342 1.520 10 30 BDEERO C[C@H]1C[NH+]=C(NCc2c(F)cc(F)cc2F)N1 ZINC000263141067 135335706 /nfs/dbraw/zinc/33/57/06/135335706.db2.gz OGBWQAAPCKXGRF-LURJTMIESA-N 1 0 243.232 1.541 10 30 BDEERO C[C@@H]1CC(CNC(=[NH2+])N2CCC2)C[C@@H](C)O1 ZINC000263175061 135337378 /nfs/dbraw/zinc/33/73/78/135337378.db2.gz SPRYNDOGWYHGSS-NXEZZACHSA-N 1 0 225.336 1.210 10 30 BDEERO CC1CCN(C(=[NH2+])N[C@H]2C[C@@H]2C(F)F)CC1 ZINC000263183704 135338225 /nfs/dbraw/zinc/33/82/25/135338225.db2.gz WBYHBVIMJOWEFC-IUCAKERBSA-N 1 0 231.290 1.687 10 30 BDEERO [NH2+]=C(N[C@H]1CCC12CCCC2)N1CCOCC1 ZINC000263242753 135341507 /nfs/dbraw/zinc/34/15/07/135341507.db2.gz GWHTYDCMXMMJFM-NSHDSACASA-N 1 0 237.347 1.356 10 30 BDEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000282273997 135370705 /nfs/dbraw/zinc/37/07/05/135370705.db2.gz HUCNJUVIDDMQRV-GXTWGEPZSA-N 1 0 242.322 1.295 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000286218335 135373015 /nfs/dbraw/zinc/37/30/15/135373015.db2.gz SFPWTUMFEJWLHL-GHMZBOCLSA-N 1 0 228.311 1.407 10 30 BDEERO C=C1CN(c2cc(N)[nH+]cc2Br)C1 ZINC000575510173 397971809 /nfs/dbraw/zinc/97/18/09/397971809.db2.gz XDPZILLXFTWSCO-UHFFFAOYSA-N 1 0 240.104 1.633 10 30 BDEERO Cn1cncc1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000401851074 397984723 /nfs/dbraw/zinc/98/47/23/397984723.db2.gz SQHUGXPVDCVQBT-JQWIXIFHSA-N 1 0 218.304 1.244 10 30 BDEERO C#CCCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000150734573 166125570 /nfs/dbraw/zinc/12/55/70/166125570.db2.gz LYPWXMPDEFBLMX-UHFFFAOYSA-N 1 0 235.331 1.630 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662952070 409986813 /nfs/dbraw/zinc/98/68/13/409986813.db2.gz CGSROKWTMHYVRX-LLVKDONJSA-N 1 0 240.347 1.083 10 30 BDEERO C#CCOc1cc2c(cc1C[NH2+]C)OCO2 ZINC000042874214 166197605 /nfs/dbraw/zinc/19/76/05/166197605.db2.gz USBQSAJOGJQSKI-UHFFFAOYSA-N 1 0 219.240 1.147 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC000062889744 166222228 /nfs/dbraw/zinc/22/22/28/166222228.db2.gz SLUWMDITWHGPRX-HNNXBMFYSA-N 1 0 242.322 1.996 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)c1 ZINC000019439184 166222530 /nfs/dbraw/zinc/22/25/30/166222530.db2.gz UJROHDYWJBVBEC-GWCFXTLKSA-N 1 0 230.311 1.980 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000237444046 166246399 /nfs/dbraw/zinc/24/63/99/166246399.db2.gz BBMMFOGLUSBNEX-MNOVXSKESA-N 1 0 210.321 1.599 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336773089 166300351 /nfs/dbraw/zinc/30/03/51/166300351.db2.gz YQNHBSBUYUXCJX-GARJFASQSA-N 1 0 210.321 1.598 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000037817719 166310429 /nfs/dbraw/zinc/31/04/29/166310429.db2.gz IHWIGHIEGXSKKD-LLVKDONJSA-N 1 0 210.321 1.409 10 30 BDEERO C=CCN(CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000032103629 166341006 /nfs/dbraw/zinc/34/10/06/166341006.db2.gz BVHSNLUPSAWEBW-UHFFFAOYSA-N 1 0 248.326 1.405 10 30 BDEERO C=CCN(Cc1cccc(OC)c1)C(=O)C[NH3+] ZINC000032089749 166345852 /nfs/dbraw/zinc/34/58/52/166345852.db2.gz YPVHRASXDBPHHA-UHFFFAOYSA-N 1 0 234.299 1.169 10 30 BDEERO C=CCNC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723577 166372962 /nfs/dbraw/zinc/37/29/62/166372962.db2.gz DRZAUKMJVCIWIO-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccccc1 ZINC000057499452 166373101 /nfs/dbraw/zinc/37/31/01/166373101.db2.gz WFJOAPCGLXKGMN-LBPRGKRZSA-N 1 0 218.300 1.421 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020314536 166382989 /nfs/dbraw/zinc/38/29/89/166382989.db2.gz RZMOCDSLSQUMIW-LLVKDONJSA-N 1 0 248.326 1.476 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])C1CCCCC1 ZINC000076611861 166385683 /nfs/dbraw/zinc/38/56/83/166385683.db2.gz GLJPMLUIOVDGOC-LBPRGKRZSA-N 1 0 224.348 1.834 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccc(C)cc1 ZINC000076615057 166390930 /nfs/dbraw/zinc/39/09/30/166390930.db2.gz DLPSGHZZFGJWSE-CYBMUJFWSA-N 1 0 232.327 1.730 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000095082327 166398961 /nfs/dbraw/zinc/39/89/61/166398961.db2.gz XXLWTTLARAOKCX-UHFFFAOYSA-N 1 0 244.216 1.818 10 30 BDEERO C=CC[NH2+]CC(=O)N(C)Cc1ccccc1C ZINC000095081766 166399344 /nfs/dbraw/zinc/39/93/44/166399344.db2.gz XCNPWJYTVXDRER-UHFFFAOYSA-N 1 0 232.327 1.729 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000095082102 166399811 /nfs/dbraw/zinc/39/98/11/166399811.db2.gz XINMOUKWPCQBJF-UHFFFAOYSA-N 1 0 249.701 1.926 10 30 BDEERO CC(C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037852124 167007080 /nfs/dbraw/zinc/00/70/80/167007080.db2.gz CZFIZJZHXYWFBJ-ZDUSSCGKSA-N 1 0 248.326 1.544 10 30 BDEERO CC(C)[NH2+]CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000037808425 167094728 /nfs/dbraw/zinc/09/47/28/167094728.db2.gz JELAGSMDCSWRLE-UHFFFAOYSA-N 1 0 245.326 1.515 10 30 BDEERO CC(C)[NH2+]CC(=O)Nc1ccccc1C#N ZINC000037385994 167097500 /nfs/dbraw/zinc/09/75/00/167097500.db2.gz JZWBBMXJFYAXAG-UHFFFAOYSA-N 1 0 217.272 1.495 10 30 BDEERO CC(C)[NH2+]C[C@H](O)CN(C)c1cccc(C#N)c1 ZINC000061950834 167115737 /nfs/dbraw/zinc/11/57/37/167115737.db2.gz YANWVKRDMFWXRG-AWEZNQCLSA-N 1 0 247.342 1.353 10 30 BDEERO CCN(C[C@H](C)C#N)C(=O)C1CCC([NH3+])CC1 ZINC000037821122 169888770 /nfs/dbraw/zinc/88/87/70/169888770.db2.gz UUANVFPLKIMOAI-VOMCLLRMSA-N 1 0 237.347 1.512 10 30 BDEERO CCN(c1nc(C)cc(C)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071314302 169944843 /nfs/dbraw/zinc/94/48/43/169944843.db2.gz CMKHDKWNYQXHFZ-GFCCVEGCSA-N 1 0 244.342 1.758 10 30 BDEERO CCNC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587452 170082571 /nfs/dbraw/zinc/08/25/71/170082571.db2.gz DNTQQDBWICEYIB-LLVKDONJSA-N 1 0 245.326 1.377 10 30 BDEERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000044648316 170109116 /nfs/dbraw/zinc/10/91/16/170109116.db2.gz CUDHOJHBCSIJRZ-JTQLQIEISA-N 1 0 231.299 1.345 10 30 BDEERO CCNc1ccc(NC2=[NH+]CCN2)cc1 ZINC000040845048 170174078 /nfs/dbraw/zinc/17/40/78/170174078.db2.gz AEDGYKKUCHJGJO-UHFFFAOYSA-N 1 0 204.277 1.299 10 30 BDEERO CC[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037569859 170748582 /nfs/dbraw/zinc/74/85/82/170748582.db2.gz IBHUGGSVICKJHB-LLVKDONJSA-N 1 0 230.311 1.525 10 30 BDEERO CC[C@@]1(C(=O)Nc2sccc2C#N)CC[NH2+]C1 ZINC000062900400 171198102 /nfs/dbraw/zinc/19/81/02/171198102.db2.gz JYHOEJGXEKYWIJ-GFCCVEGCSA-N 1 0 249.339 1.948 10 30 BDEERO CC[C@H](C)[NH+]1CCN(C(C)(C)C#N)CC1 ZINC000070995816 171319016 /nfs/dbraw/zinc/31/90/16/171319016.db2.gz IRNPPFJXBHNRMG-NSHDSACASA-N 1 0 209.337 1.705 10 30 BDEERO CN(C(=O)CCC[NH3+])c1ccc(C#N)cc1 ZINC000061980598 172304357 /nfs/dbraw/zinc/30/43/57/172304357.db2.gz CPZHTPKPQFGHMW-UHFFFAOYSA-N 1 0 217.272 1.260 10 30 BDEERO CN(C(=O)C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000049305033 172309315 /nfs/dbraw/zinc/30/93/15/172309315.db2.gz DFTPFVJFKVFFOF-UHFFFAOYSA-N 1 0 243.310 1.269 10 30 BDEERO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccccc1C#N ZINC000077343568 172333985 /nfs/dbraw/zinc/33/39/85/172333985.db2.gz BIHCTOLNRCAHFN-NSHDSACASA-N 1 0 229.283 1.131 10 30 BDEERO C[NH+](C)C(C)(C)CN[C@@H]1CCCC[C@H]1C#N ZINC000054827509 172395063 /nfs/dbraw/zinc/39/50/63/172395063.db2.gz LZFIRZNYAYSOJU-NWDGAFQWSA-N 1 0 223.364 1.999 10 30 BDEERO C[NH+](C)CCCN[C@@H](C#N)c1ccccn1 ZINC000019985455 172442683 /nfs/dbraw/zinc/44/26/83/172442683.db2.gz ZDVPDMUFEPVDFY-LBPRGKRZSA-N 1 0 218.304 1.188 10 30 BDEERO C[N@@H+]1CCC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000061811897 173023530 /nfs/dbraw/zinc/02/35/30/173023530.db2.gz WQTDTMRUBUNZEK-LLVKDONJSA-N 1 0 216.288 1.459 10 30 BDEERO CN(Cc1cccnc1C#N)C[C@H]1CC[N@H+](C)C1 ZINC000071189160 173144176 /nfs/dbraw/zinc/14/41/76/173144176.db2.gz DUSYPWBVRDAHPI-LBPRGKRZSA-N 1 0 244.342 1.337 10 30 BDEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C#N)cc1 ZINC000061300212 173318620 /nfs/dbraw/zinc/31/86/20/173318620.db2.gz TVNHIBFCFUBHNG-UHFFFAOYSA-N 1 0 217.272 1.495 10 30 BDEERO C[NH2+]C[C@H](C)Oc1nc(C)ccc1C#N ZINC000051867934 173375996 /nfs/dbraw/zinc/37/59/96/173375996.db2.gz QHWVBANKCCZLHW-VIFPVBQESA-N 1 0 205.261 1.248 10 30 BDEERO C[NH2+]C[C@H]1CCN(c2nc(C)ccc2C#N)C1 ZINC000071147924 173382639 /nfs/dbraw/zinc/38/26/39/173382639.db2.gz APPRMYMZJDAGJH-LLVKDONJSA-N 1 0 230.315 1.307 10 30 BDEERO COCC[N@H+](C[C@@H](C)/C(N)=N/O)[C@@H](C)C1CC1 ZINC000042679933 174297035 /nfs/dbraw/zinc/29/70/35/174297035.db2.gz VZNUVFDVEYVMMY-ZJUUUORDSA-N 1 0 243.351 1.116 10 30 BDEERO COCC[N@H+]([C@H](C)C/C(N)=N/O)[C@@H](C)C1CC1 ZINC000042679935 174301880 /nfs/dbraw/zinc/30/18/80/174301880.db2.gz APRPEQCDHGWCOI-ZJUUUORDSA-N 1 0 243.351 1.258 10 30 BDEERO COc1ccc(C#CCN2CC[NH2+]CC2)cc1F ZINC000037547800 175051568 /nfs/dbraw/zinc/05/15/68/175051568.db2.gz AOWUXBNDGPXVOB-UHFFFAOYSA-N 1 0 248.301 1.091 10 30 BDEERO COc1ccc2ccccc2c1C=NNC(N)=[NH2+] ZINC000007929811 175225899 /nfs/dbraw/zinc/22/58/99/175225899.db2.gz GZCIZPIDCLIFSQ-LZYBPNLTSA-N 1 0 242.282 1.665 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1cccc(C#N)n1 ZINC000336720723 175666089 /nfs/dbraw/zinc/66/60/89/175666089.db2.gz ZWMHDESHVHAJTK-VIFPVBQESA-N 1 0 204.277 1.493 10 30 BDEERO C[C@@H](CC[NH+](C)C)Nc1ccc(N)cc1C#N ZINC000049555446 175671402 /nfs/dbraw/zinc/67/14/02/175671402.db2.gz QVAMGSSVRPVIQS-JTQLQIEISA-N 1 0 232.331 1.893 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000336687882 175673571 /nfs/dbraw/zinc/67/35/71/175673571.db2.gz GTTVNRAFNZZRDW-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H](C[NH3+])C(=O)N(C)Cc1cc(C#N)ccc1F ZINC000054341204 175703118 /nfs/dbraw/zinc/70/31/18/175703118.db2.gz SZGZUEVHQXBXJU-VIFPVBQESA-N 1 0 249.289 1.251 10 30 BDEERO C[C@@H](c1ccc(C#N)cc1)N(C)CC[NH3+] ZINC000054416710 176013021 /nfs/dbraw/zinc/01/30/21/176013021.db2.gz KASWZBQNGMLPNY-JTQLQIEISA-N 1 0 203.289 1.510 10 30 BDEERO C[C@@H]1CC(=O)N(Cc2ccccc2C#CC[NH3+])C1 ZINC000062817447 176048410 /nfs/dbraw/zinc/04/84/10/176048410.db2.gz LXWWMSNXEGIZCM-GFCCVEGCSA-N 1 0 242.322 1.365 10 30 BDEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(/C(N)=N/O)cc1 ZINC000037910985 176109254 /nfs/dbraw/zinc/10/92/54/176109254.db2.gz NDGMPGJWCMNDMA-SNVBAGLBSA-N 1 0 233.315 1.765 10 30 BDEERO C[C@@H]1CCC[C@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940408 176151558 /nfs/dbraw/zinc/15/15/58/176151558.db2.gz GBTKTNSJUWRDTQ-OLZOCXBDSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@@H]1CC[N@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049613623 176176630 /nfs/dbraw/zinc/17/66/30/176176630.db2.gz OESSEZAQNUWZEK-CYBMUJFWSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000042428739 176222206 /nfs/dbraw/zinc/22/22/06/176222206.db2.gz ZIROMMKPKNJDQK-FVCCEPFGSA-N 1 0 249.358 1.655 10 30 BDEERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1cnc(C#N)cn1 ZINC000274706533 176269758 /nfs/dbraw/zinc/26/97/58/176269758.db2.gz RVHAFXCKYNWNBQ-ZYHUDNBSSA-N 1 0 245.330 1.125 10 30 BDEERO C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000251659149 176303472 /nfs/dbraw/zinc/30/34/72/176303472.db2.gz GUBDFUWVZZSIEB-IUODEOHRSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@@H]1CN(Cc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049608491 176303692 /nfs/dbraw/zinc/30/36/92/176303692.db2.gz RNHWRCPATUTJLU-CYBMUJFWSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251793832 176304094 /nfs/dbraw/zinc/30/40/94/176304094.db2.gz NPBCGKOUIMRBDY-IUODEOHRSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@@H]1CN(c2cccc(C#N)n2)C[C@H]1[NH+](C)C ZINC000251619395 176320318 /nfs/dbraw/zinc/32/03/18/176320318.db2.gz DWBVJLBZUNWATD-ZYHUDNBSSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1(C#N)CC1 ZINC000336488404 176323289 /nfs/dbraw/zinc/32/32/89/176323289.db2.gz MFLBMKFUXGTBJV-NEPJUHHUSA-N 1 0 219.332 1.459 10 30 BDEERO C[C@H](C[NH3+])CC(=O)Nc1ccccc1C#N ZINC000076609129 176657261 /nfs/dbraw/zinc/65/72/61/176657261.db2.gz AVORMKWHKYZSNQ-VIFPVBQESA-N 1 0 217.272 1.482 10 30 BDEERO C[C@H]([NH3+])Cc1cc2c(cc1OCC#N)OCO2 ZINC000042878019 176761780 /nfs/dbraw/zinc/76/17/80/176761780.db2.gz IMTHHTAKMCMDHK-QMMMGPOBSA-N 1 0 234.255 1.207 10 30 BDEERO C[C@H](O)c1ccc2ccnc(NC(N)=[NH2+])c2c1 ZINC000026981449 177017582 /nfs/dbraw/zinc/01/75/82/177017582.db2.gz ZLTLKUCDVPEMSE-ZETCQYMHSA-N 1 0 230.271 1.193 10 30 BDEERO C[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NCCC#N ZINC000042862884 177080062 /nfs/dbraw/zinc/08/00/62/177080062.db2.gz AZQPJODJHICYKA-NWDGAFQWSA-N 1 0 237.347 1.432 10 30 BDEERO C[C@H]1CCCC[C@@]1(C#N)NCC[NH+](C)C ZINC000037940681 177084100 /nfs/dbraw/zinc/08/41/00/177084100.db2.gz GYWXDRQTJQPXJA-RYUDHWBXSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NCCC#N ZINC000042862889 177086277 /nfs/dbraw/zinc/08/62/77/177086277.db2.gz AZQPJODJHICYKA-RYUDHWBXSA-N 1 0 237.347 1.432 10 30 BDEERO C[C@H]1CN(C(=O)c2ccc(C#N)o2)C[C@H]1[NH+](C)C ZINC000335312239 177226870 /nfs/dbraw/zinc/22/68/70/177226870.db2.gz LEPDVSCXQOISDQ-GXSJLCMTSA-N 1 0 247.298 1.173 10 30 BDEERO C[C@H]1C[NH+]=C(Nc2ccc(N(C)C)cc2)N1 ZINC000169330667 177278919 /nfs/dbraw/zinc/27/89/19/177278919.db2.gz STRPFZXGLKNUAX-VIFPVBQESA-N 1 0 218.304 1.321 10 30 BDEERO Cc1cc(N2CCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308239221 229224717 /nfs/dbraw/zinc/22/47/17/229224717.db2.gz KVCWPOKIXHFTEN-NSHDSACASA-N 1 0 216.288 1.189 10 30 BDEERO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC000399413969 262783841 /nfs/dbraw/zinc/78/38/41/262783841.db2.gz FJSSXKOLTQRCQQ-GFCCVEGCSA-N 1 0 244.342 1.650 10 30 BDEERO Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(C#N)cn1 ZINC000399457833 267342644 /nfs/dbraw/zinc/34/26/44/267342644.db2.gz UHKAGLYYOITSAR-HZMBPMFUSA-N 1 0 244.342 1.648 10 30 BDEERO CC1CC(C#N)(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)C1 ZINC000124181256 322998628 /nfs/dbraw/zinc/99/86/28/322998628.db2.gz HDRZVPRDILWNIR-ATJQQHLPSA-N 1 0 249.358 1.335 10 30 BDEERO N#Cc1cnccc1N[C@H]1CCC[NH2+]C1 ZINC000260322617 323030738 /nfs/dbraw/zinc/03/07/38/323030738.db2.gz UROWKLAOZFEJFQ-JTQLQIEISA-N 1 0 202.261 1.117 10 30 BDEERO C[C@@H](C[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000082576239 325543076 /nfs/dbraw/zinc/54/30/76/325543076.db2.gz USHAJGKTYOIICZ-QMMMGPOBSA-N 1 0 216.288 1.201 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251829028 488064431 /nfs/dbraw/zinc/06/44/31/488064431.db2.gz ZAANQHJDQVWCEL-AGIUHOORSA-N 1 0 232.331 1.944 10 30 BDEERO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308246802 534004230 /nfs/dbraw/zinc/00/42/30/534004230.db2.gz ZRIFATHRZDJAHA-GXFFZTMASA-N 1 0 230.315 1.801 10 30 BDEERO CC(C)(C)NC(=[NH2+])NCc1ccc2cc[nH]c2n1 ZINC000262410211 534664180 /nfs/dbraw/zinc/66/41/80/534664180.db2.gz XIHXIDRASKOGMR-UHFFFAOYSA-N 1 0 245.330 1.766 10 30 BDEERO CC(C)(C)NC(=[NH2+])NCc1cnc(C2CC2)o1 ZINC000263086088 534664262 /nfs/dbraw/zinc/66/42/62/534664262.db2.gz IIKSQMPZDZZOPL-UHFFFAOYSA-N 1 0 236.319 1.755 10 30 BDEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000078784771 534862224 /nfs/dbraw/zinc/86/22/24/534862224.db2.gz SNOOCZRAJOZDKY-VHSXEESVSA-N 1 0 241.335 1.021 10 30 BDEERO CC(C)CNC(=[NH2+])NCc1cnc(C2CC2)o1 ZINC000263171004 535065065 /nfs/dbraw/zinc/06/50/65/535065065.db2.gz SAJFEFCOABEBRK-UHFFFAOYSA-N 1 0 236.319 1.612 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC1(C)C ZINC000262796018 535263659 /nfs/dbraw/zinc/26/36/59/535263659.db2.gz LSTSQQAHULSVCT-WDEREUQCSA-N 1 0 239.363 1.377 10 30 BDEERO CNC(=O)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185866803 536383980 /nfs/dbraw/zinc/38/39/80/536383980.db2.gz TWOAIUHCMYMJQH-SDDRHHMPSA-N 1 0 237.347 1.429 10 30 BDEERO CCCON=C[C@H](O)C[NH2+]C(C)(C)C ZINC000394710258 581093859 /nfs/dbraw/zinc/09/38/59/581093859.db2.gz SMJOAFHPQBEWCA-SECBINFHSA-N 1 0 202.298 1.148 10 30 BDEERO CC[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698542 582806896 /nfs/dbraw/zinc/80/68/96/582806896.db2.gz RJJPFTKYNQLESA-UHFFFAOYSA-N 1 0 209.314 1.544 10 30 BDEERO N#Cc1cccc(COC2C[NH2+]C2)c1F ZINC000222380044 592479333 /nfs/dbraw/zinc/47/93/33/592479333.db2.gz OGFHSCDHUGHIDC-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO C#CCC[NH2+]Cc1ccccc1OCC#C ZINC000069767523 631279126 /nfs/dbraw/zinc/27/91/26/631279126.db2.gz MTLVCGGUCSMNHX-UHFFFAOYSA-N 1 0 213.280 1.812 10 30 BDEERO C=CC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000308867231 632003403 /nfs/dbraw/zinc/00/34/03/632003403.db2.gz GPKXNSHCIHKRCW-CYBMUJFWSA-N 1 0 205.301 1.756 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1cc(C#N)cc(C)n1 ZINC000161733180 632395558 /nfs/dbraw/zinc/39/55/58/632395558.db2.gz KXAJNRQRLMXSRX-ZDUSSCGKSA-N 1 0 244.342 1.840 10 30 BDEERO N#Cc1ccc(COC2C[NH2+]C2)c(F)c1 ZINC000062809858 633121696 /nfs/dbraw/zinc/12/16/96/633121696.db2.gz UFEPDZHELMBIHE-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000164773765 640504813 /nfs/dbraw/zinc/50/48/13/640504813.db2.gz ZONXZLMQGNHLLN-AXFHLTTASA-N 1 0 222.332 1.939 10 30 BDEERO CC#CCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000229095283 640921488 /nfs/dbraw/zinc/92/14/88/640921488.db2.gz BIRKWCACGUUKPQ-QWRGUYRKSA-N 1 0 209.289 1.141 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1ccnc(C#N)c1 ZINC000063169410 641143468 /nfs/dbraw/zinc/14/34/68/641143468.db2.gz DWFFOXCSGZZJBQ-CYBMUJFWSA-N 1 0 230.315 1.532 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cc(C#N)n1 ZINC000231942517 641219359 /nfs/dbraw/zinc/21/93/59/641219359.db2.gz JTJIJFPPTIDLBV-LBPRGKRZSA-N 1 0 245.330 1.235 10 30 BDEERO C#C[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000185961837 643416176 /nfs/dbraw/zinc/41/61/76/643416176.db2.gz ZBLUQVHDJRZXAK-VXGBXAGGSA-N 1 0 239.363 1.284 10 30 BDEERO CN(CCCCCC[NH3+])c1cc(C#N)ccn1 ZINC000710782806 712256824 /nfs/dbraw/zinc/25/68/24/712256824.db2.gz YIOCCRKXXPRDHM-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000715730901 712531476 /nfs/dbraw/zinc/53/14/76/712531476.db2.gz DNAOVWWDPSMILT-MNOVXSKESA-N 1 0 211.305 1.836 10 30 BDEERO CC1(C)CN(c2ccncc2C#N)C[C@@H]1[NH3+] ZINC000720755426 712863771 /nfs/dbraw/zinc/86/37/71/712863771.db2.gz HXBCWALVWHMCCD-NSHDSACASA-N 1 0 216.288 1.127 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H](CC[NH3+])C2)n1 ZINC000723669323 710731344 /nfs/dbraw/zinc/73/13/44/710731344.db2.gz HOQMHNWOXNXRKA-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO Cc1nc(N2CC[C@@H](CC[NH3+])C2)ccc1C#N ZINC000723670105 711533536 /nfs/dbraw/zinc/53/35/36/711533536.db2.gz PGQKULLIWLJGEK-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(N2CC[C@H](CC[NH3+])C2)c(C#N)cn1 ZINC000723685114 711534234 /nfs/dbraw/zinc/53/42/34/711534234.db2.gz ATACCAZDNAPCHD-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H]1C ZINC000227825298 711833124 /nfs/dbraw/zinc/83/31/24/711833124.db2.gz KDORADZIDHKSKG-WDEREUQCSA-N 1 0 238.331 1.667 10 30 BDEERO Cc1cc(N[C@H]2C[NH2+]CC2(C)C)cc(C#N)n1 ZINC000721977348 711856047 /nfs/dbraw/zinc/85/60/47/711856047.db2.gz SMODHIFZWAEBJY-LBPRGKRZSA-N 1 0 230.315 1.094 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721986717 711861385 /nfs/dbraw/zinc/86/13/85/711861385.db2.gz ZCJKQIVKHVXKMP-SNVBAGLBSA-N 1 0 231.303 1.067 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000701924867 712033665 /nfs/dbraw/zinc/03/36/65/712033665.db2.gz PPEOIZWXGBMRHF-RXMQYKEDSA-N 1 0 230.724 1.688 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000702649566 712058707 /nfs/dbraw/zinc/05/87/07/712058707.db2.gz LNGPXPYMTQBEOV-SCZZXKLOSA-N 1 0 246.270 1.392 10 30 BDEERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000708728613 712198349 /nfs/dbraw/zinc/19/83/49/712198349.db2.gz POTWRORQORRWFM-WYUUTHIRSA-N 1 0 208.305 1.693 10 30 BDEERO CCC1([NH3+])CCN(c2cccnc2C#N)CC1 ZINC000714751491 712497209 /nfs/dbraw/zinc/49/72/09/712497209.db2.gz CXIMEESWHPBFMX-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000715114073 712510092 /nfs/dbraw/zinc/51/00/92/712510092.db2.gz OVUKFHAYOKZZBF-PHIMTYICSA-N 1 0 201.273 1.707 10 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BDEERO CCCC[C@@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685954304 538899123 /nfs/dbraw/zinc/89/91/23/538899123.db2.gz UYPPGLRDARSWFY-SNVBAGLBSA-N 1 0 211.305 1.849 10 30 BDEERO C#CCCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962036 538909261 /nfs/dbraw/zinc/90/92/61/538909261.db2.gz SEJFLBTZCJGOFQ-IUODEOHRSA-N 1 0 245.322 1.902 10 30 BDEERO CCC(CC)(CO)[NH2+]Cc1cccnc1C#N ZINC000061658889 168329283 /nfs/dbraw/zinc/32/92/83/168329283.db2.gz RRIFPHSLUCPYIQ-UHFFFAOYSA-N 1 0 233.315 1.594 10 30 BDEERO Cc1cc(C#N)nc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382477084 398173599 /nfs/dbraw/zinc/17/35/99/398173599.db2.gz UFOTXOWWBFNUCB-UWVGGRQHSA-N 1 0 231.303 1.196 10 30 BDEERO CC[NH2+][C@H](C)CNc1nc(C)cc(C)c1C#N ZINC000387434526 365540394 /nfs/dbraw/zinc/54/03/94/365540394.db2.gz JBDGHSIBFZFTTM-LLVKDONJSA-N 1 0 232.331 1.980 10 30 BDEERO C=C(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568709 538938078 /nfs/dbraw/zinc/93/80/78/538938078.db2.gz CRUPULXSTPSCLF-ZIAGYGMSSA-N 1 0 244.338 1.824 10 30 BDEERO CCC(CC)[N@H+](CCOC)C[C@H](C)/C(N)=N/O ZINC000042679916 168374609 /nfs/dbraw/zinc/37/46/09/168374609.db2.gz FDAZWRILICNATG-JTQLQIEISA-N 1 0 245.367 1.506 10 30 BDEERO CCC(CC)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629253 168387334 /nfs/dbraw/zinc/38/73/34/168387334.db2.gz RIORTLDNKOGDRD-UHFFFAOYSA-N 1 0 245.326 1.310 10 30 BDEERO C=C(C)C[C@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000130860267 398285328 /nfs/dbraw/zinc/28/53/28/398285328.db2.gz ZPVOGKMEOBHTMS-UWVGGRQHSA-N 1 0 217.334 1.247 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000380132793 538985790 /nfs/dbraw/zinc/98/57/90/538985790.db2.gz TYXJCLJZHLBTJZ-UTUOFQBUSA-N 1 0 213.321 1.328 10 30 BDEERO CC(C)NC(=[NH+]N)[C@@]1(C)CCCS1 ZINC000164945935 342860519 /nfs/dbraw/zinc/86/05/19/342860519.db2.gz PIFAZBHUQJQTFZ-SECBINFHSA-N 1 0 201.339 1.542 10 30 BDEERO C=CC[C@@H]([NH3+])[C@H](O)/C=C/c1ccccc1 ZINC000116801024 342938157 /nfs/dbraw/zinc/93/81/57/342938157.db2.gz UJYQUQGOAFGOHT-WGVUZWOWSA-N 1 0 203.285 1.964 10 30 BDEERO [NH3+][C@H]1CCCC[C@H]1C(=O)C1=CCCCO1 ZINC000167701481 346892904 /nfs/dbraw/zinc/89/29/04/346892904.db2.gz KHUFASZHAWMTKE-ZJUUUORDSA-N 1 0 209.289 1.767 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000252451433 343126608 /nfs/dbraw/zinc/12/66/08/343126608.db2.gz LWTPOISJNULTRM-TUAOUCFPSA-N 1 0 208.305 1.837 10 30 BDEERO C=CC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000237482549 136272201 /nfs/dbraw/zinc/27/22/01/136272201.db2.gz HVQZGXCKGBZXCJ-AWEZNQCLSA-N 1 0 236.359 1.943 10 30 BDEERO C=CC[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885310 136363747 /nfs/dbraw/zinc/36/37/47/136363747.db2.gz CZACIBMKRCNUKC-CYBMUJFWSA-N 1 0 234.347 1.793 10 30 BDEERO C[C@H]1C[NH+]=C(NCCc2c[nH]c3ncccc23)N1 ZINC000262673600 136374596 /nfs/dbraw/zinc/37/45/96/136374596.db2.gz SEXJUQHLBYGPKB-VIFPVBQESA-N 1 0 243.314 1.043 10 30 BDEERO N#CCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000083854157 343502241 /nfs/dbraw/zinc/50/22/41/343502241.db2.gz ZOZWTBPZXGKZHL-GHMZBOCLSA-N 1 0 208.305 1.573 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C#N)ncn1 ZINC000310762281 343568138 /nfs/dbraw/zinc/56/81/38/343568138.db2.gz KPGFAFYCABQLES-GFCCVEGCSA-N 1 0 245.330 1.269 10 30 BDEERO N#C[C@@H](c1cccc(F)c1)N1CC([NH3+])C1 ZINC000409439341 343846883 /nfs/dbraw/zinc/84/68/83/343846883.db2.gz GVZABGODBDNMNT-NSHDSACASA-N 1 0 205.236 1.033 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2ccc(OC)cc2)C1 ZINC000409439438 343847310 /nfs/dbraw/zinc/84/73/10/343847310.db2.gz HLWUPIHLYBEKDU-CYBMUJFWSA-N 1 0 231.299 1.163 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2ccccc2)C1 ZINC000409439451 343847354 /nfs/dbraw/zinc/84/73/54/343847354.db2.gz HOOZZYYSRSFJSZ-LBPRGKRZSA-N 1 0 201.273 1.155 10 30 BDEERO C[NH2+]C1CN([C@](C)(C#N)Cc2ccccc2)C1 ZINC000409440530 343852219 /nfs/dbraw/zinc/85/22/19/343852219.db2.gz LLEWAQWPNFUUOJ-AWEZNQCLSA-N 1 0 229.327 1.415 10 30 BDEERO C#CCn1nc(-c2cccs2)cc1CC[NH3+] ZINC000409443424 343867135 /nfs/dbraw/zinc/86/71/35/343867135.db2.gz MQXGYZMFKANXOO-UHFFFAOYSA-N 1 0 231.324 1.746 10 30 BDEERO N/[NH+]=C(/NC1CCCC1)[C@@H]1CCSC1 ZINC000070005313 343945983 /nfs/dbraw/zinc/94/59/83/343945983.db2.gz MMUIMDZOBIJQHC-MRVPVSSYSA-N 1 0 213.350 1.544 10 30 BDEERO Cc1ccnc(N2CCC(CC[NH3+])CC2)c1C#N ZINC000135203078 343966957 /nfs/dbraw/zinc/96/69/57/343966957.db2.gz JZLQZBITESGJEI-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000381354928 344496638 /nfs/dbraw/zinc/49/66/38/344496638.db2.gz IUQZYYDIMBZFTK-RNFRBKRXSA-N 1 0 235.247 1.009 10 30 BDEERO C=CC[C@@H]([NH3+])C(=O)NCc1ccccc1 ZINC000127995976 344706585 /nfs/dbraw/zinc/70/65/85/344706585.db2.gz FHZZLTZODAESLX-LLVKDONJSA-N 1 0 204.273 1.206 10 30 BDEERO C#CCOc1c(C[NH2+]CCOC)cccc1OC ZINC000045945868 192075852 /nfs/dbraw/zinc/07/58/52/192075852.db2.gz ARCOUALZEWNAAK-UHFFFAOYSA-N 1 0 249.310 1.443 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000119557432 344853544 /nfs/dbraw/zinc/85/35/44/344853544.db2.gz BZRRWYXAJFORPP-LBPRGKRZSA-N 1 0 218.304 1.013 10 30 BDEERO CC#CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000156494445 345168250 /nfs/dbraw/zinc/16/82/50/345168250.db2.gz XQUNHTCZHWWKCR-AWEZNQCLSA-N 1 0 230.311 1.948 10 30 BDEERO N#Cc1cc(Br)ccc1C[NH3+] ZINC000216322713 345140612 /nfs/dbraw/zinc/14/06/12/345140612.db2.gz IGFKIZDLWRQEOH-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO C=C(Br)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000157394695 345237552 /nfs/dbraw/zinc/23/75/52/345237552.db2.gz VDIIWUXMDHEQBL-IUCAKERBSA-N 1 0 233.153 1.564 10 30 BDEERO C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000168704812 345378413 /nfs/dbraw/zinc/37/84/13/345378413.db2.gz TXLPVVBYXGKDTJ-VXGBXAGGSA-N 1 0 213.321 1.472 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070447939 345716904 /nfs/dbraw/zinc/71/69/04/345716904.db2.gz ATWWGAHTYCPHCD-GFCCVEGCSA-N 1 0 232.331 1.965 10 30 BDEERO N#Cc1cccnc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000257351932 345773872 /nfs/dbraw/zinc/77/38/72/345773872.db2.gz HZGMPVZPCFLJQR-XYPYZODXSA-N 1 0 216.288 1.635 10 30 BDEERO Cc1cnn(CC[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000235954098 346175144 /nfs/dbraw/zinc/17/51/44/346175144.db2.gz NRENPVLVXXDWQU-STQMWFEESA-N 1 0 232.331 1.864 10 30 BDEERO N#Cc1sc(N[C@H]2CC[NH2+]C2)nc1Cl ZINC000236043656 346186619 /nfs/dbraw/zinc/18/66/19/346186619.db2.gz AYGBSTYUSFPBCY-YFKPBYRVSA-N 1 0 228.708 1.442 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000309544862 347097814 /nfs/dbraw/zinc/09/78/14/347097814.db2.gz ZKHYABKUYPREBF-NWDGAFQWSA-N 1 0 218.304 1.555 10 30 BDEERO CNC(Nc1ccc(Br)cc1)=[NH+]N ZINC000164625352 346613456 /nfs/dbraw/zinc/61/34/56/346613456.db2.gz OXBWJFYJENNOSB-UHFFFAOYSA-N 1 0 243.108 1.310 10 30 BDEERO N#Cc1cncc(NCC2([NH3+])CCCCC2)n1 ZINC000401496890 346741030 /nfs/dbraw/zinc/74/10/30/346741030.db2.gz DTTAHKKXXZTSMD-UHFFFAOYSA-N 1 0 231.303 1.422 10 30 BDEERO C[C@H](Nc1cncc(C#N)n1)[C@@H]1CCC[NH2+]C1 ZINC000401505129 346752648 /nfs/dbraw/zinc/75/26/48/346752648.db2.gz JNCQRNXKGQHWBI-VHSXEESVSA-N 1 0 231.303 1.148 10 30 BDEERO C#CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000309968662 347206680 /nfs/dbraw/zinc/20/66/80/347206680.db2.gz OLOSKECZEPHIQP-NEPJUHHUSA-N 1 0 223.316 1.183 10 30 BDEERO Cc1ccccc1[C@@H](C#N)N1CC[NH2+]CC1 ZINC000019400984 179316029 /nfs/dbraw/zinc/31/60/29/179316029.db2.gz WVHZLLVPSYUDFE-CYBMUJFWSA-N 1 0 215.300 1.465 10 30 BDEERO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981404 348416664 /nfs/dbraw/zinc/41/66/64/348416664.db2.gz OLZHXHRPZQHWRQ-PWSUYJOCSA-N 1 0 223.320 1.122 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000595981770 348416859 /nfs/dbraw/zinc/41/68/59/348416859.db2.gz PFZSCFWXQGCSCP-XIVSLSHWSA-N 1 0 235.331 1.266 10 30 BDEERO Cc1ccnc(NCC23CC(C2)C[NH2+]3)c1C#N ZINC000596027760 348425443 /nfs/dbraw/zinc/42/54/43/348425443.db2.gz WSHWCZQUAUOWNE-UHFFFAOYSA-N 1 0 228.299 1.426 10 30 BDEERO N#CCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000616572590 349062291 /nfs/dbraw/zinc/06/22/91/349062291.db2.gz STWCYNQYVIZLEP-NSHDSACASA-N 1 0 235.331 1.329 10 30 BDEERO CC(C)(CNC(=O)CC#N)C1CC[NH2+]CC1 ZINC000616572187 349065170 /nfs/dbraw/zinc/06/51/70/349065170.db2.gz PMKPYWICUNRMMF-UHFFFAOYSA-N 1 0 223.320 1.042 10 30 BDEERO CC(C)(O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000309019356 349305153 /nfs/dbraw/zinc/30/51/53/349305153.db2.gz SUXKOPBFWCEWSN-MNOVXSKESA-N 1 0 210.321 1.819 10 30 BDEERO Cc1nc(NC[C@H]([NH3+])C(C)C)ccc1C#N ZINC000309217019 180019311 /nfs/dbraw/zinc/01/93/11/180019311.db2.gz POAGHZNPFHIFDG-NSHDSACASA-N 1 0 218.304 1.657 10 30 BDEERO N#Cc1cc(NCCC[NH3+])ccc1[N+](=O)[O-] ZINC000123107984 191072865 /nfs/dbraw/zinc/07/28/65/191072865.db2.gz ANMVMDMRBJKECI-UHFFFAOYSA-N 1 0 220.232 1.227 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CO1 ZINC000402347345 350191344 /nfs/dbraw/zinc/19/13/44/350191344.db2.gz RHAHSEMXZPTXID-RHYQMDGZSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CO1 ZINC000402347346 350191353 /nfs/dbraw/zinc/19/13/53/350191353.db2.gz RHAHSEMXZPTXID-WISYIIOYSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CO1 ZINC000402347347 350191780 /nfs/dbraw/zinc/19/17/80/350191780.db2.gz RHAHSEMXZPTXID-WYUUTHIRSA-N 1 0 208.305 1.836 10 30 BDEERO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000309350327 350327372 /nfs/dbraw/zinc/32/73/72/350327372.db2.gz BROLZODGHSVJCD-QJPTWQEYSA-N 1 0 226.320 1.056 10 30 BDEERO N#Cc1cccc([C@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616597921 350654397 /nfs/dbraw/zinc/65/43/97/350654397.db2.gz IDEZJYSDIZDERS-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccnc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382450083 350815827 /nfs/dbraw/zinc/81/58/27/350815827.db2.gz DKDMCCWNZKGGCZ-MWLCHTKSSA-N 1 0 216.288 1.493 10 30 BDEERO N#Cc1cccnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382454515 350815913 /nfs/dbraw/zinc/81/59/13/350815913.db2.gz IDHJUCSNJVMMMK-ONGXEEELSA-N 1 0 216.288 1.493 10 30 BDEERO N#Cc1ccc([C@H]2COCCC[NH2+]2)cc1 ZINC000616603535 350789950 /nfs/dbraw/zinc/78/99/50/350789950.db2.gz PYMKIKLZNRVXEY-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000382457029 350831222 /nfs/dbraw/zinc/83/12/22/350831222.db2.gz KJKONCJIAWAFNV-VHSXEESVSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382471691 350838939 /nfs/dbraw/zinc/83/89/39/350838939.db2.gz QEUQYFMEUKDPDZ-CMPLNLGQSA-N 1 0 230.315 1.801 10 30 BDEERO CNC(=[NH2+])Nc1cccc(Cl)c1F ZINC000052069822 350901790 /nfs/dbraw/zinc/90/17/90/350901790.db2.gz VBMUJCNPYSEFLX-UHFFFAOYSA-N 1 0 201.632 1.645 10 30 BDEERO C[C@@H](CS)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000306734363 350904747 /nfs/dbraw/zinc/90/47/47/350904747.db2.gz UVCVUHLBHKNYJK-MNOVXSKESA-N 1 0 215.362 1.807 10 30 BDEERO C=CC[C@H](CO)C[NH2+]Cc1cnn(C)c1C ZINC000336684896 350928925 /nfs/dbraw/zinc/92/89/25/350928925.db2.gz ICTBOESIVVPUMW-NSHDSACASA-N 1 0 223.320 1.003 10 30 BDEERO O=C(C[NH+]1CCCCCC1)C1=CCCO1 ZINC000306712064 350872808 /nfs/dbraw/zinc/87/28/08/350872808.db2.gz STJFJKUZQMZKBD-UHFFFAOYSA-N 1 0 209.289 1.736 10 30 BDEERO O=C[C@@H]1CCCCN1Cc1cncs1 ZINC000159766943 350991226 /nfs/dbraw/zinc/99/12/26/350991226.db2.gz WIXDFCQOCIEGOI-VIFPVBQESA-N 1 0 210.302 1.697 10 30 BDEERO CN1CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000616632584 351112492 /nfs/dbraw/zinc/11/24/92/351112492.db2.gz MPQJNNDSIBHBTR-LBPRGKRZSA-N 1 0 201.273 1.134 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1cc(C#N)c2ccccc2n1 ZINC000382998381 351162821 /nfs/dbraw/zinc/16/28/21/351162821.db2.gz NKJWINXQARXSMG-JTQLQIEISA-N 1 0 240.310 1.890 10 30 BDEERO CC(C)N1CC[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000616638405 351139697 /nfs/dbraw/zinc/13/96/97/351139697.db2.gz ZHWPVMFPIPYVFV-CQSZACIVSA-N 1 0 229.327 1.913 10 30 BDEERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(C#N)c1 ZINC000616638582 351140461 /nfs/dbraw/zinc/14/04/61/351140461.db2.gz ZHWPVMFPIPYVFV-AWEZNQCLSA-N 1 0 229.327 1.913 10 30 BDEERO CCN(C[C@H](C)C#N)C[C@@H]1CCC[N@@H+]1C ZINC000386652488 363024817 /nfs/dbraw/zinc/02/48/17/363024817.db2.gz BWYACLFTDSXBRG-NEPJUHHUSA-N 1 0 209.337 1.562 10 30 BDEERO C[C@@H]1CSC(NCc2ccns2)=[NH+]1 ZINC000404302065 351348838 /nfs/dbraw/zinc/34/88/38/351348838.db2.gz APMIEBDPNPXUGS-ZCFIWIBFSA-N 1 0 213.331 1.724 10 30 BDEERO C[C@H]1CSC(NCc2ccns2)=[NH+]1 ZINC000404302057 351349472 /nfs/dbraw/zinc/34/94/72/351349472.db2.gz APMIEBDPNPXUGS-LURJTMIESA-N 1 0 213.331 1.724 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(C#N)n1 ZINC000133629322 351412993 /nfs/dbraw/zinc/41/29/93/351412993.db2.gz LVDINZKJPZJXPY-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO N#C[C@@H]1OCCC[C@@H]1NCc1ccccc1 ZINC000307139191 351495499 /nfs/dbraw/zinc/49/54/99/351495499.db2.gz ANVZJBBXWGHHJL-STQMWFEESA-N 1 0 216.284 1.847 10 30 BDEERO Cc1cc(Br)cc(NC(N)=[NH+]N)c1 ZINC000232060702 351613593 /nfs/dbraw/zinc/61/35/93/351613593.db2.gz OFCMIUZPJLZJOA-UHFFFAOYSA-N 1 0 243.108 1.358 10 30 BDEERO Cc1cc(C)c(C#N)c(NC2CC([NH3+])C2)n1 ZINC000036268777 187595589 /nfs/dbraw/zinc/59/55/89/187595589.db2.gz CUBUAJLDVMAHHM-UHFFFAOYSA-N 1 0 216.288 1.472 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000638472235 352285017 /nfs/dbraw/zinc/28/50/17/352285017.db2.gz PVZOEJNUXGPILH-IJLUTSLNSA-N 1 0 222.332 1.267 10 30 BDEERO CN(CCC[NH3+])c1c(C#N)nnc2ccccc21 ZINC000133835560 352593381 /nfs/dbraw/zinc/59/33/81/352593381.db2.gz MPYHMGADUSZQSR-UHFFFAOYSA-N 1 0 241.298 1.286 10 30 BDEERO CN(CCC[NH3+])c1nc2c(cc1C#N)CCC2 ZINC000133832409 352577677 /nfs/dbraw/zinc/57/76/77/352577677.db2.gz XTPODAKVEIMIOE-UHFFFAOYSA-N 1 0 230.315 1.227 10 30 BDEERO N#CCC1(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000398802345 353139100 /nfs/dbraw/zinc/13/91/00/353139100.db2.gz RQIKPZAUHMRFCI-YNEHKIRRSA-N 1 0 234.343 1.773 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336754548 353145765 /nfs/dbraw/zinc/14/57/65/353145765.db2.gz IHHNXDKMKAFHGP-BJDJZHNGSA-N 1 0 208.305 1.836 10 30 BDEERO C#CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000019875413 188232390 /nfs/dbraw/zinc/23/23/90/188232390.db2.gz PSXYTKVTDXXUFD-UHFFFAOYSA-N 1 0 211.268 1.595 10 30 BDEERO N#CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000038101686 188283437 /nfs/dbraw/zinc/28/34/37/188283437.db2.gz YHKNLEDBEFASPH-UHFFFAOYSA-N 1 0 243.310 1.291 10 30 BDEERO CC(C)[N@H+](C)CCNc1ncc(N)cc1C#N ZINC000054111990 188300514 /nfs/dbraw/zinc/30/05/14/188300514.db2.gz DQHFANNOCUAYNO-UHFFFAOYSA-N 1 0 233.319 1.288 10 30 BDEERO N#Cc1ccnc([S@@](=O)CC2CC[NH2+]CC2)c1 ZINC000095073706 188318941 /nfs/dbraw/zinc/31/89/41/188318941.db2.gz FOXYXXFGQGSLNY-QGZVFWFLSA-N 1 0 249.339 1.060 10 30 BDEERO N#Cc1ccnc([S@](=O)CC2CC[NH2+]CC2)c1 ZINC000095073707 188319462 /nfs/dbraw/zinc/31/94/62/188319462.db2.gz FOXYXXFGQGSLNY-KRWDZBQOSA-N 1 0 249.339 1.060 10 30 BDEERO C#CCN1CCC([NH2+]Cc2ccco2)CC1 ZINC000037184266 188324615 /nfs/dbraw/zinc/32/46/15/188324615.db2.gz FMPHTBHGHSAARV-UHFFFAOYSA-N 1 0 218.300 1.467 10 30 BDEERO CC(C)[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000037571780 188325974 /nfs/dbraw/zinc/32/59/74/188325974.db2.gz SYFUTNYPSCSZGQ-LBPRGKRZSA-N 1 0 244.338 1.771 10 30 BDEERO C[C@H]1CCN(c2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000398972281 353401047 /nfs/dbraw/zinc/40/10/47/353401047.db2.gz AWRAJQGNJWTXND-JQWIXIFHSA-N 1 0 230.315 1.374 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862280 188396821 /nfs/dbraw/zinc/39/68/21/188396821.db2.gz CJIAAGZHMQBWAV-AVGNSLFASA-N 1 0 236.359 1.540 10 30 BDEERO Fc1ccc(F)c(C#CCN2CC[NH2+]CC2)c1 ZINC000037547810 180973863 /nfs/dbraw/zinc/97/38/63/180973863.db2.gz AYUNTLXJVCPIMW-UHFFFAOYSA-N 1 0 236.265 1.222 10 30 BDEERO CCC([NH3+])(CC)CNc1ccncc1C#N ZINC000399001337 353551707 /nfs/dbraw/zinc/55/17/07/353551707.db2.gz SIYHWYCRCTVHNL-UHFFFAOYSA-N 1 0 218.304 1.305 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccncc1C#N ZINC000399022944 353680371 /nfs/dbraw/zinc/68/03/71/353680371.db2.gz IRSJICVISAXUMS-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO N#C[C@@H](C1CCCCC1)N1CCC[NH2+]CC1 ZINC000037940411 181054406 /nfs/dbraw/zinc/05/44/06/181054406.db2.gz RSRDMULCOCQIKD-ZDUSSCGKSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037940504 181057860 /nfs/dbraw/zinc/05/78/60/181057860.db2.gz DQLGGXMBYMFOKN-ZDUSSCGKSA-N 1 0 231.299 1.252 10 30 BDEERO N#C[C@@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000019268486 181057893 /nfs/dbraw/zinc/05/78/93/181057893.db2.gz SSVJEACHUGJDGJ-LBPRGKRZSA-N 1 0 219.263 1.296 10 30 BDEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000054826395 181058749 /nfs/dbraw/zinc/05/87/49/181058749.db2.gz FKAKIDWNNNNBFB-QWHCGFSZSA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000054824509 181059065 /nfs/dbraw/zinc/05/90/65/181059065.db2.gz LTVHYWZBDSTGQR-MELADBBJSA-N 1 0 233.359 1.753 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O)cc1O ZINC000061891468 181060970 /nfs/dbraw/zinc/06/09/70/181060970.db2.gz FBSDHBAGFXPUFI-JOYOIKCWSA-N 1 0 232.283 1.880 10 30 BDEERO N#Cc1c(CN2CC[C@H]([NH3+])C2)cn2ccccc12 ZINC000050243092 181073037 /nfs/dbraw/zinc/07/30/37/181073037.db2.gz VVJNJNWCFOEKEN-LBPRGKRZSA-N 1 0 240.310 1.344 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)C1CC[NH2+]CC1 ZINC000036158255 181074474 /nfs/dbraw/zinc/07/44/74/181074474.db2.gz CJOYZBCYIJMWLS-UHFFFAOYSA-N 1 0 247.273 1.635 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)cc1O ZINC000061891467 181068838 /nfs/dbraw/zinc/06/88/38/181068838.db2.gz FBSDHBAGFXPUFI-SKDRFNHKSA-N 1 0 232.283 1.880 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000061892672 181069079 /nfs/dbraw/zinc/06/90/79/181069079.db2.gz WLVKPYDSLCSZDB-NEPJUHHUSA-N 1 0 208.305 1.695 10 30 BDEERO N#Cc1c2ccccc2n2c1CC[NH2+]CC2 ZINC000013535393 181079075 /nfs/dbraw/zinc/07/90/75/181079075.db2.gz XGGUCZZULJWRBF-UHFFFAOYSA-N 1 0 211.268 1.659 10 30 BDEERO N#Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000051638388 181090886 /nfs/dbraw/zinc/09/08/86/181090886.db2.gz XGUVSZXVBSPLKT-VIFPVBQESA-N 1 0 247.273 1.635 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1cccc(C)c1 ZINC000076615054 166390243 /nfs/dbraw/zinc/39/02/43/166390243.db2.gz SWTAHSLNDJWXHP-CYBMUJFWSA-N 1 0 232.327 1.730 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)c(F)c1 ZINC000089169318 181109330 /nfs/dbraw/zinc/10/93/30/181109330.db2.gz CJBZVJJDXXIBCL-TZMCWYRMSA-N 1 0 248.301 1.948 10 30 BDEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000245562715 181103775 /nfs/dbraw/zinc/10/37/75/181103775.db2.gz PEJCGLQHYZSCJD-LBPRGKRZSA-N 1 0 245.326 1.821 10 30 BDEERO N#Cc1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000051888412 181110869 /nfs/dbraw/zinc/11/08/69/181110869.db2.gz PPOSEMSGFQJOQW-CYBMUJFWSA-N 1 0 216.284 1.684 10 30 BDEERO N#Cc1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000033817839 181121924 /nfs/dbraw/zinc/12/19/24/181121924.db2.gz NEWMGJCDJJKCHO-UHFFFAOYSA-N 1 0 220.232 1.227 10 30 BDEERO N#Cc1ccc(Cl)cc1OCCC[NH3+] ZINC000062786587 181111835 /nfs/dbraw/zinc/11/18/35/181111835.db2.gz QLZLQYUZYYDGPZ-UHFFFAOYSA-N 1 0 210.664 1.939 10 30 BDEERO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000020055579 181113020 /nfs/dbraw/zinc/11/30/20/181113020.db2.gz GERNNEVQPAMZDM-GFCCVEGCSA-N 1 0 234.274 1.966 10 30 BDEERO N#Cc1ccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000051360506 181115200 /nfs/dbraw/zinc/11/52/00/181115200.db2.gz YVKRYDWQKUIYGL-QWHCGFSZSA-N 1 0 242.326 1.674 10 30 BDEERO N#Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1Cl ZINC000037386617 181118515 /nfs/dbraw/zinc/11/85/15/181118515.db2.gz YIGMEJXEZNXKTG-UHFFFAOYSA-N 1 0 249.701 1.902 10 30 BDEERO N#Cc1ccc(OCCN2CCC([NH3+])CC2)cc1 ZINC000036754659 181127433 /nfs/dbraw/zinc/12/74/33/181127433.db2.gz CCPLBHZEQPOJRU-UHFFFAOYSA-N 1 0 245.326 1.360 10 30 BDEERO N#Cc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940481 181130375 /nfs/dbraw/zinc/13/03/75/181130375.db2.gz VVAFODIQBDSVRE-AWEZNQCLSA-N 1 0 240.310 1.418 10 30 BDEERO N#Cc1cccc(Cn2ccnc2C[NH3+])c1 ZINC000051004075 181139365 /nfs/dbraw/zinc/13/93/65/181139365.db2.gz BVKDJFZQIDJCAY-UHFFFAOYSA-N 1 0 212.256 1.262 10 30 BDEERO N#Cc1cccc(C2=NO[C@H](C[NH3+])C2)c1 ZINC000082644276 181136706 /nfs/dbraw/zinc/13/67/06/181136706.db2.gz GFSYQADYMXLSCE-JTQLQIEISA-N 1 0 201.229 1.010 10 30 BDEERO N#Cc1cccc2c1[C@H](O)[C@@H]([NH3+])CCC2 ZINC000019795538 181144240 /nfs/dbraw/zinc/14/42/40/181144240.db2.gz RRXPVOTVQBERML-CMPLNLGQSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1C[C@@H]1COCC[C@H]1[NH3+] ZINC000095077461 181147441 /nfs/dbraw/zinc/14/74/41/181147441.db2.gz QWCMAAQXPJPLSA-CHWSQXEVSA-N 1 0 216.284 1.465 10 30 BDEERO N#Cc1ccc(NCC2CC[NH2+]CC2)cn1 ZINC000122666491 363387114 /nfs/dbraw/zinc/38/71/14/363387114.db2.gz ISWQCVPHSUTALG-UHFFFAOYSA-N 1 0 216.288 1.365 10 30 BDEERO N#Cc1ccsc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116198 181161020 /nfs/dbraw/zinc/16/10/20/181161020.db2.gz DSFLGIKVOQRTPE-MRVPVSSYSA-N 1 0 221.285 1.168 10 30 BDEERO N#Cc1ncccc1COc1cccc(C[NH3+])c1 ZINC000061656394 181170801 /nfs/dbraw/zinc/17/08/01/181170801.db2.gz BOJUGDQSETVBPJ-UHFFFAOYSA-N 1 0 239.278 1.991 10 30 BDEERO [NH2+]=C(CS)NC1Cc2ccccc2C1 ZINC000147262399 181184632 /nfs/dbraw/zinc/18/46/32/181184632.db2.gz YOGPBFFJZUYBSU-UHFFFAOYSA-N 1 0 206.314 1.441 10 30 BDEERO O=C1C=C(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000160256941 355762606 /nfs/dbraw/zinc/76/26/06/355762606.db2.gz JKFWHTCCCNCAFZ-LLVKDONJSA-N 1 0 206.289 1.013 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccncc1C#N ZINC000399382239 356484662 /nfs/dbraw/zinc/48/46/62/356484662.db2.gz OMEDJOUMGSPLKI-LLVKDONJSA-N 1 0 230.315 1.341 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)nc1 ZINC000122688013 363492504 /nfs/dbraw/zinc/49/25/04/363492504.db2.gz OUGAYAPYLWSNAK-NSHDSACASA-N 1 0 218.304 1.883 10 30 BDEERO CC[N@@H+](Cc1nn(C)cc1CC#N)CC(C)C ZINC000675056686 538479168 /nfs/dbraw/zinc/47/91/68/538479168.db2.gz VEDYQDVRRZIBKT-UHFFFAOYSA-N 1 0 234.347 1.964 10 30 BDEERO CN(c1ccc(C#N)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000384859985 356780692 /nfs/dbraw/zinc/78/06/92/356780692.db2.gz MSFVGQVYWIBUHF-UHFFFAOYSA-N 1 0 246.270 1.392 10 30 BDEERO C=CC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000583035333 357465845 /nfs/dbraw/zinc/46/58/45/357465845.db2.gz SQUDMTGLAAFBBN-ZDUSSCGKSA-N 1 0 236.359 1.801 10 30 BDEERO [NH3+]CC/N=C/c1cc(Br)ccc1O ZINC000584624193 358291816 /nfs/dbraw/zinc/29/18/16/358291816.db2.gz GJLNAAATKYEZJV-WUXMJOGZSA-N 1 0 243.104 1.532 10 30 BDEERO CC[NH2+]CCCNc1nc(C)ccc1C#N ZINC000043395930 358374716 /nfs/dbraw/zinc/37/47/16/358374716.db2.gz ZNZRMVBRCVWPQJ-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO CC#CCC[NH2+]C[C@@H](O)COCCCC ZINC000227897269 358366240 /nfs/dbraw/zinc/36/62/40/358366240.db2.gz VXIKCPBVACRDLM-GFCCVEGCSA-N 1 0 213.321 1.167 10 30 BDEERO C[C@H]([NH3+])CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214553739 358875626 /nfs/dbraw/zinc/87/56/26/358875626.db2.gz WIKRCLFGNOFQSV-ZETCQYMHSA-N 1 0 235.247 1.011 10 30 BDEERO CC(C)[NH2+]CCCNc1cnc(C#N)cn1 ZINC000578507885 366583503 /nfs/dbraw/zinc/58/35/03/366583503.db2.gz XDBUJGPUOZRECQ-UHFFFAOYSA-N 1 0 219.292 1.148 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@H]1C ZINC000306466349 360079643 /nfs/dbraw/zinc/07/96/43/360079643.db2.gz PJXDAHWTKGNCDG-HTQZYQBOSA-N 1 0 219.126 1.317 10 30 BDEERO C=C(Cl)CN1CC[N@@H+](C)CC[C@H]1C ZINC000306478493 360126165 /nfs/dbraw/zinc/12/61/65/360126165.db2.gz HLACPUDXUXCDIB-SNVBAGLBSA-N 1 0 202.729 1.765 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC000092630831 360185888 /nfs/dbraw/zinc/18/58/88/360185888.db2.gz VFGYXVZVGGHJMC-QWRGUYRKSA-N 1 0 223.320 1.089 10 30 BDEERO CC[C@H](NC(NC)=[NH+]C)c1cccs1 ZINC000306548459 360418869 /nfs/dbraw/zinc/41/88/69/360418869.db2.gz BQMUBWOAKIHLQI-QMMMGPOBSA-N 1 0 211.334 1.994 10 30 BDEERO N#Cc1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000070588019 361575396 /nfs/dbraw/zinc/57/53/96/361575396.db2.gz RLORCFWBMCPHNK-LLVKDONJSA-N 1 0 204.298 1.936 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH2+]CC1 ZINC000037116588 361677221 /nfs/dbraw/zinc/67/72/21/361677221.db2.gz QSGSELXUINHWBQ-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2ccc(=O)cc2)s1 ZINC000061628376 181345733 /nfs/dbraw/zinc/34/57/33/181345733.db2.gz QBRZIOUAENEYFG-UHFFFAOYSA-N 1 0 244.319 1.268 10 30 BDEERO [NH3+]CC#Cc1cccc(Cn2ccc(=O)cc2)c1 ZINC000061628384 181346855 /nfs/dbraw/zinc/34/68/55/181346855.db2.gz XHIACBRQMSRJTD-UHFFFAOYSA-N 1 0 238.290 1.207 10 30 BDEERO [NH3+]CC#Cc1ccccc1Cn1cc(Cl)cn1 ZINC000049610220 181347410 /nfs/dbraw/zinc/34/74/10/181347410.db2.gz PXEAKNMYBPMBCZ-UHFFFAOYSA-N 1 0 245.713 1.895 10 30 BDEERO [NH3+]CC#Cc1ccccc1OCc1cccnc1 ZINC000037547911 181347683 /nfs/dbraw/zinc/34/76/83/181347683.db2.gz NIXPIJHINYVGQM-UHFFFAOYSA-N 1 0 238.290 1.971 10 30 BDEERO CCN(CC[NH3+])c1nc(C)cc(C)c1C#N ZINC000122839750 363889426 /nfs/dbraw/zinc/88/94/26/363889426.db2.gz NUJMWTUBRFKVMV-UHFFFAOYSA-N 1 0 218.304 1.355 10 30 BDEERO NC(=[NH2+])NN=Cc1cc(Cl)cs1 ZINC000252614995 364069964 /nfs/dbraw/zinc/06/99/64/364069964.db2.gz YQAQZFDNPFKXBF-UHFFFAOYSA-N 1 0 202.670 1.218 10 30 BDEERO Cc1cc(C#N)nc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000600958771 364365954 /nfs/dbraw/zinc/36/59/54/364365954.db2.gz KERUWAZLPANAMM-NSHDSACASA-N 1 0 245.330 1.364 10 30 BDEERO C=C(Br)C[NH2+]CCCOC ZINC000037681222 364517383 /nfs/dbraw/zinc/51/73/83/364517383.db2.gz HDJCCRBBWYQMES-UHFFFAOYSA-N 1 0 208.099 1.521 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC#N ZINC000247481029 364623352 /nfs/dbraw/zinc/62/33/52/364623352.db2.gz SRLFBVYPASDXCY-RYUDHWBXSA-N 1 0 207.321 1.459 10 30 BDEERO Cc1c(NC2=[NH+]CCN2)cccc1[N+](=O)[O-] ZINC000142775714 541391466 /nfs/dbraw/zinc/39/14/66/541391466.db2.gz QBDYTBDWXYWSIP-UHFFFAOYSA-N 1 0 220.232 1.084 10 30 BDEERO N#CCCOCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000338921890 365442044 /nfs/dbraw/zinc/44/20/44/365442044.db2.gz OPTATVCIVAXDSQ-STQMWFEESA-N 1 0 238.331 1.560 10 30 BDEERO C=C1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000382575017 367543658 /nfs/dbraw/zinc/54/36/58/367543658.db2.gz CFPDOYRBQWHNDJ-GFCCVEGCSA-N 1 0 222.332 1.555 10 30 BDEERO C#C[C@H]([NH2+]CC)[C@@H]1SCCS[C@H]1C ZINC000252722918 367894468 /nfs/dbraw/zinc/89/44/68/367894468.db2.gz SBVQWBUELQYHOE-LPEHRKFASA-N 1 0 215.387 1.835 10 30 BDEERO O=C(C[n+]1ccccn1)c1cccs1 ZINC000048523587 368377500 /nfs/dbraw/zinc/37/75/00/368377500.db2.gz KNTAJNKAADDNBS-UHFFFAOYSA-N 1 0 205.262 1.314 10 30 BDEERO C[N@@H+]1CCC[C@H]1CN1CCC[C@@H](CC#N)C1 ZINC000259628761 370925397 /nfs/dbraw/zinc/92/53/97/370925397.db2.gz AEYHGGOLCKIZQM-STQMWFEESA-N 1 0 221.348 1.706 10 30 BDEERO CCC[N@@H+]1CCCN(c2nccnc2C#N)CC1 ZINC000074258575 368834970 /nfs/dbraw/zinc/83/49/70/368834970.db2.gz WCUAMQZDXSOBCJ-UHFFFAOYSA-N 1 0 245.330 1.270 10 30 BDEERO CC[C@@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122990479 368998217 /nfs/dbraw/zinc/99/82/17/368998217.db2.gz SJEJOSMTMRCJDT-MFKMUULPSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nnc(N[C@H]2CC[C@H](C)[NH2+]C2)c(C#N)c1C ZINC000600956043 369577655 /nfs/dbraw/zinc/57/76/55/369577655.db2.gz VBPLKPWIGRKNJW-KWQFWETISA-N 1 0 245.330 1.518 10 30 BDEERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)nc2)C[NH2+]1 ZINC000600955062 369576654 /nfs/dbraw/zinc/57/66/54/369576654.db2.gz JJXSSDBCRPVPBG-MWLCHTKSSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@@H]1CC[C@@H](Nc2cccc(C#N)n2)C[NH2+]1 ZINC000600955458 369575285 /nfs/dbraw/zinc/57/52/85/369575285.db2.gz MXFQYAKRLBJLHH-MWLCHTKSSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C#N)cn1 ZINC000600955820 369578486 /nfs/dbraw/zinc/57/84/86/369578486.db2.gz RQSJGDIIKSSGEZ-BXKDBHETSA-N 1 0 230.315 1.236 10 30 BDEERO Cc1nc(N2C[C@H]([NH3+])C[C@@H]2C)ccc1C#N ZINC000600963055 369579765 /nfs/dbraw/zinc/57/97/65/369579765.db2.gz QSASGEJWOIMQHA-GZMMTYOYSA-N 1 0 216.288 1.188 10 30 BDEERO N#Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ncn1 ZINC000600963560 369580116 /nfs/dbraw/zinc/58/01/16/369580116.db2.gz YDOCAPGMUQZBHI-MGCOHNPYSA-N 1 0 231.303 1.278 10 30 BDEERO Cc1ccnc(N2C[C@H]([NH3+])C[C@H]2C)c1C#N ZINC000600962829 369580757 /nfs/dbraw/zinc/58/07/57/369580757.db2.gz NKNAPFSUGAQSKG-NXEZZACHSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@H]1CN(c2ccc(F)cc2C#N)C[C@H]1C[NH3+] ZINC000600961510 369581416 /nfs/dbraw/zinc/58/14/16/369581416.db2.gz RXXPIETULQOYNH-GXSJLCMTSA-N 1 0 233.290 1.728 10 30 BDEERO CC[C@H]1CN(c2ccc(C#N)c(C)n2)CC[C@H]1[NH3+] ZINC000311191900 370389925 /nfs/dbraw/zinc/38/99/25/370389925.db2.gz GBCCCLTVZYKKHT-WCQYABFASA-N 1 0 244.342 1.825 10 30 BDEERO C[NH2+]CCCOc1cc([N+](=O)[O-])ccc1C#N ZINC000113658504 370449924 /nfs/dbraw/zinc/44/99/24/370449924.db2.gz DANWYCOLCCEQLQ-UHFFFAOYSA-N 1 0 235.243 1.455 10 30 BDEERO C[C@H]1CN(Cc2ccnc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124148811 371154043 /nfs/dbraw/zinc/15/40/43/371154043.db2.gz JMSOOXUQWVBYCK-FZMZJTMJSA-N 1 0 244.342 1.335 10 30 BDEERO C#C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000131758414 371667686 /nfs/dbraw/zinc/66/76/86/371667686.db2.gz CQDWRUQHIAXHNZ-CQSZACIVSA-N 1 0 215.296 1.647 10 30 BDEERO CNC(=[NH2+])Nc1c(F)cc(F)cc1Cl ZINC000215835653 371642018 /nfs/dbraw/zinc/64/20/18/371642018.db2.gz XTUFABMTUWMVHW-UHFFFAOYSA-N 1 0 219.622 1.975 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000162332728 371660561 /nfs/dbraw/zinc/66/05/61/371660561.db2.gz MDRJGXKPWOGKGB-VXGBXAGGSA-N 1 0 238.331 1.200 10 30 BDEERO NC(=[NH2+])Nc1c(Cl)cccc1Cl ZINC000039191365 372900579 /nfs/dbraw/zinc/90/05/79/372900579.db2.gz FBVLZVUGJGEIEC-UHFFFAOYSA-N 1 0 204.060 1.898 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000068914206 373089001 /nfs/dbraw/zinc/08/90/01/373089001.db2.gz XKIBTHGVTDSBHJ-DTORHVGOSA-N 1 0 233.153 1.577 10 30 BDEERO CCC[NH2+]CCC(=O)Nc1n[nH]c(CC)n1 ZINC000072417555 169256713 /nfs/dbraw/zinc/25/67/13/169256713.db2.gz XFIYCELXQOEJTP-UHFFFAOYSA-N 1 0 225.296 1.345 10 30 BDEERO CCCN[C@@H](C#N)CC[N@H+](C)C1CCOCC1 ZINC000062435193 169273033 /nfs/dbraw/zinc/27/30/33/169273033.db2.gz OXQLYHIUDSLVJS-GFCCVEGCSA-N 1 0 239.363 1.379 10 30 BDEERO C#CCn1cc(C(N)=[NH2+])c(-c2cccs2)n1 ZINC000409437469 383846768 /nfs/dbraw/zinc/84/67/68/383846768.db2.gz GXCYXOWWJGYTAF-UHFFFAOYSA-N 1 0 230.296 1.529 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334746125 383946196 /nfs/dbraw/zinc/94/61/96/383946196.db2.gz NVAVNKYCKPZZRP-GXFFZTMASA-N 1 0 248.301 1.900 10 30 BDEERO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1OC ZINC000116927209 383946306 /nfs/dbraw/zinc/94/63/06/383946306.db2.gz DQWAWGVXPIMOFY-SECBINFHSA-N 1 0 223.320 1.791 10 30 BDEERO Cc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1C#N ZINC000135085444 384004153 /nfs/dbraw/zinc/00/41/53/384004153.db2.gz BWSDRTBTLRNDNL-GFCCVEGCSA-N 1 0 242.326 1.546 10 30 BDEERO C#CCCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173512168 533037440 /nfs/dbraw/zinc/03/74/40/533037440.db2.gz XYARRGSKVPDVOG-CYBMUJFWSA-N 1 0 249.358 1.280 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cccc(C#N)n1 ZINC000081597871 384191032 /nfs/dbraw/zinc/19/10/32/384191032.db2.gz ULJRDPKBBNZXTR-JTQLQIEISA-N 1 0 204.277 1.348 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335587983 384310394 /nfs/dbraw/zinc/31/03/94/384310394.db2.gz DLWMGIPXUNKUHC-GWCFXTLKSA-N 1 0 248.301 1.900 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc(F)cc1C#N ZINC000335610031 384320191 /nfs/dbraw/zinc/32/01/91/384320191.db2.gz LZFHESMQDKZPSL-MRVPVSSYSA-N 1 0 207.252 1.481 10 30 BDEERO C#CCCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000252693452 533056358 /nfs/dbraw/zinc/05/63/58/533056358.db2.gz LYDOVKMFFLSCDT-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO C#CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227362364 533056625 /nfs/dbraw/zinc/05/66/25/533056625.db2.gz AYNLTJCMJQEIQT-KBPBESRZSA-N 1 0 220.360 1.958 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000071139985 384654833 /nfs/dbraw/zinc/65/48/33/384654833.db2.gz JDSAMHWGUOHPRR-CYBMUJFWSA-N 1 0 243.310 1.334 10 30 BDEERO CC#CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000155401777 384719492 /nfs/dbraw/zinc/71/94/92/384719492.db2.gz RENJTLZEVIQSJJ-ZDUSSCGKSA-N 1 0 217.316 1.970 10 30 BDEERO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCO1 ZINC000135481885 384828628 /nfs/dbraw/zinc/82/86/28/384828628.db2.gz QONPKIKPSFEDGF-SKDRFNHKSA-N 1 0 220.272 1.808 10 30 BDEERO N#CC[C@@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000259553318 384977263 /nfs/dbraw/zinc/97/72/63/384977263.db2.gz HMBFKALZELGHLI-CYBMUJFWSA-N 1 0 215.300 1.503 10 30 BDEERO C=C(Cl)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246486511 385168794 /nfs/dbraw/zinc/16/87/94/385168794.db2.gz GVIKWTVSPGPTOJ-NSHDSACASA-N 1 0 214.740 1.909 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309004731 385365163 /nfs/dbraw/zinc/36/51/63/385365163.db2.gz PJGCPUVSRDVRIV-GARJFASQSA-N 1 0 210.321 1.675 10 30 BDEERO Cc1cc(N[C@H](CC[NH3+])C(F)F)cc(C#N)n1 ZINC000308237682 385411766 /nfs/dbraw/zinc/41/17/66/385411766.db2.gz GCIVNZOJPJZBLD-SNVBAGLBSA-N 1 0 240.257 1.656 10 30 BDEERO Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)cc(C#N)n1 ZINC000308245530 385413977 /nfs/dbraw/zinc/41/39/77/385413977.db2.gz RQJCFDQTOWYRST-NOZJJQNGSA-N 1 0 230.315 1.672 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)nc1 ZINC000336696766 385745734 /nfs/dbraw/zinc/74/57/34/385745734.db2.gz OHSJHGCVRPSCBR-VIFPVBQESA-N 1 0 204.277 1.493 10 30 BDEERO C=C(Br)CN1CC[C@H](C[NH3+])C1 ZINC000050249294 386685762 /nfs/dbraw/zinc/68/57/62/386685762.db2.gz YSKNTSAGNZVVJA-MRVPVSSYSA-N 1 0 219.126 1.176 10 30 BDEERO N[NH+]=C(N)NCc1cc(Cl)sc1Cl ZINC000307596163 386748974 /nfs/dbraw/zinc/74/89/74/386748974.db2.gz LQNVNSRJEQLDRZ-UHFFFAOYSA-N 1 0 239.131 1.333 10 30 BDEERO C#CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575451290 386800039 /nfs/dbraw/zinc/80/00/39/386800039.db2.gz SFUPMQBSFDUPMB-JSGCOSHPSA-N 1 0 242.322 1.399 10 30 BDEERO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)c(F)c1 ZINC000211935225 387010257 /nfs/dbraw/zinc/01/02/57/387010257.db2.gz BSFWIZOVFXOYTG-SECBINFHSA-N 1 0 219.263 1.495 10 30 BDEERO CC[C@H]([NH3+])C#Cc1ccc(Br)cn1 ZINC000575508710 387392254 /nfs/dbraw/zinc/39/22/54/387392254.db2.gz SAQUHGXQQCUTFL-VIFPVBQESA-N 1 0 239.116 1.933 10 30 BDEERO CC(C)(C)OC(=O)N[C@]1(C#N)CCC[NH2+]CC1 ZINC000575573091 387754257 /nfs/dbraw/zinc/75/42/57/387754257.db2.gz YZPBBZBHIWXPJF-GFCCVEGCSA-N 1 0 239.319 1.547 10 30 BDEERO CC#CC[NH2+][C@H]1CCc2c1cccc2O ZINC000167701600 388256284 /nfs/dbraw/zinc/25/62/84/388256284.db2.gz VDRUYWNXQRUUSO-LBPRGKRZSA-N 1 0 201.269 1.992 10 30 BDEERO N#Cc1ccnc(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000250243326 388588900 /nfs/dbraw/zinc/58/89/00/388588900.db2.gz KJGHXEITNCJFSC-ZDUSSCGKSA-N 1 0 242.326 1.628 10 30 BDEERO CC#CCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245420302 388577419 /nfs/dbraw/zinc/57/74/19/388577419.db2.gz HLRGGUNVSHTTCQ-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO N#Cc1ccc(C[NH2+]CC2CC(O)C2)c(F)c1 ZINC000091526011 388633721 /nfs/dbraw/zinc/63/37/21/388633721.db2.gz NZBDCHMEUCLXHP-UHFFFAOYSA-N 1 0 234.274 1.558 10 30 BDEERO C[NH2+]C[C@H]1CCCN(c2cc(C)nc(C#N)c2)C1 ZINC000308239841 388658335 /nfs/dbraw/zinc/65/83/35/388658335.db2.gz LWZPTDZWVOTJGY-GFCCVEGCSA-N 1 0 244.342 1.698 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335177815 388827538 /nfs/dbraw/zinc/82/75/38/388827538.db2.gz ORRTYMCXGABQGC-CYBMUJFWSA-N 1 0 247.317 1.833 10 30 BDEERO C=C(C)CS(=O)(=O)NC[C@H](C)[NH+](CC)CC ZINC000184376594 533525348 /nfs/dbraw/zinc/52/53/48/533525348.db2.gz BJRVJAWAHJACFC-NSHDSACASA-N 1 0 248.392 1.212 10 30 BDEERO Cc1ccc(C#N)c(N2CCC(C[NH3+])CC2)n1 ZINC000044514918 132224837 /nfs/dbraw/zinc/22/48/37/132224837.db2.gz LBPSYUYBOUHQAO-UHFFFAOYSA-N 1 0 230.315 1.437 10 30 BDEERO CC#CCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000051662767 132229170 /nfs/dbraw/zinc/22/91/70/132229170.db2.gz RSGOAKKZKFMZFC-UHFFFAOYSA-N 1 0 230.311 1.498 10 30 BDEERO Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1C#N ZINC000302644685 132265126 /nfs/dbraw/zinc/26/51/26/132265126.db2.gz LYWVURJOLWOBHB-LBPRGKRZSA-N 1 0 242.326 1.546 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)nn1 ZINC000301995206 132308709 /nfs/dbraw/zinc/30/87/09/132308709.db2.gz OFWWDOVXZGSMSE-CMPLNLGQSA-N 1 0 243.314 1.021 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000161725053 132451682 /nfs/dbraw/zinc/45/16/82/132451682.db2.gz JKCVMEWYECDRTQ-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000357002020 134181458 /nfs/dbraw/zinc/18/14/58/134181458.db2.gz GOKGCRVMZDJKHW-NEPJUHHUSA-N 1 0 235.331 1.233 10 30 BDEERO C=CCCC[NH+]1CCC(n2cncn2)CC1 ZINC000117875835 134221991 /nfs/dbraw/zinc/22/19/91/134221991.db2.gz CPKLILJECQZJBI-UHFFFAOYSA-N 1 0 220.320 1.881 10 30 BDEERO C#CCCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179877759 134324424 /nfs/dbraw/zinc/32/44/24/134324424.db2.gz BMDQRQQGKBEZAG-CQSZACIVSA-N 1 0 248.370 1.877 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000224390545 134346566 /nfs/dbraw/zinc/34/65/66/134346566.db2.gz OCUNXMUZOVKKHC-NEPJUHHUSA-N 1 0 208.305 1.695 10 30 BDEERO C=C(C)C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000130814758 134623720 /nfs/dbraw/zinc/62/37/20/134623720.db2.gz ULIMVYMMDBUFLY-WDEREUQCSA-N 1 0 231.361 1.508 10 30 BDEERO C=C(Br)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000153537573 134639016 /nfs/dbraw/zinc/63/90/16/134639016.db2.gz UOUIPTZJXDSNJW-JGVFFNPUSA-N 1 0 247.136 1.139 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214644070 134789389 /nfs/dbraw/zinc/78/93/89/134789389.db2.gz TZPYWXTUJVMGSP-VIFPVBQESA-N 1 0 249.274 1.257 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000250636300 135057363 /nfs/dbraw/zinc/05/73/63/135057363.db2.gz FTUACUODWKSADA-SDDRHHMPSA-N 1 0 208.305 1.837 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cnc(C#N)cn1 ZINC000251708483 135074821 /nfs/dbraw/zinc/07/48/21/135074821.db2.gz JHMOIYRYRBIYOI-JQWIXIFHSA-N 1 0 243.314 1.021 10 30 BDEERO CC(C)c1nnc(CNC(=[NH2+])N(C)C)s1 ZINC000262438061 135119002 /nfs/dbraw/zinc/11/90/02/135119002.db2.gz UEVHUDVXAUASBU-UHFFFAOYSA-N 1 0 227.337 1.038 10 30 BDEERO Cc1nnc(NCC[C@H](C)[NH3+])c(C#N)c1C ZINC000087615580 135160326 /nfs/dbraw/zinc/16/03/26/135160326.db2.gz YILIXHMVBLMRFE-ZETCQYMHSA-N 1 0 219.292 1.114 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cnc(C#N)cn1 ZINC000087780155 135168042 /nfs/dbraw/zinc/16/80/42/135168042.db2.gz MUIHISOZMMWPKE-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261586596 135227366 /nfs/dbraw/zinc/22/73/66/135227366.db2.gz UMUDFNZCLATEIU-QWHCGFSZSA-N 1 0 242.326 1.307 10 30 BDEERO CC1(C)CN(c2ccnc(C#N)c2)CC[C@H]1[NH3+] ZINC000261546551 135238535 /nfs/dbraw/zinc/23/85/35/135238535.db2.gz GYUICMVERQVMRU-GFCCVEGCSA-N 1 0 230.315 1.517 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@@H]1CCO[C@H]1C(C)C ZINC000261632146 135242062 /nfs/dbraw/zinc/24/20/62/135242062.db2.gz JSHCXMWYWOFKHR-QWRGUYRKSA-N 1 0 227.352 1.360 10 30 BDEERO C#CCNC(=[NH+]C)N(C)Cc1csc(C)n1 ZINC000261618966 135244356 /nfs/dbraw/zinc/24/43/56/135244356.db2.gz BEZCTKFDYAFVPP-UHFFFAOYSA-N 1 0 236.344 1.092 10 30 BDEERO CC[C@@H](C)NC(=[NH2+])NCc1cc(C)nc(C)n1 ZINC000261752904 135250102 /nfs/dbraw/zinc/25/01/02/135250102.db2.gz KBLRAWZHSGTDBA-MRVPVSSYSA-N 1 0 235.335 1.296 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000261992641 135270700 /nfs/dbraw/zinc/27/07/00/135270700.db2.gz RRRSDJUVAJJSNM-LOWVWBTDSA-N 1 0 237.347 1.083 10 30 BDEERO C[C@@H]1C[C@H]1NC(NCCc1ccco1)=[NH+]C1CC1 ZINC000262287388 135290939 /nfs/dbraw/zinc/29/09/39/135290939.db2.gz XULMSEMBVSYKBA-ZWNOBZJWSA-N 1 0 247.342 1.928 10 30 BDEERO C[C@@H]1CN(C(=[NH2+])NC2C(C)(C)C2(C)C)CCO1 ZINC000262434136 135296880 /nfs/dbraw/zinc/29/68/80/135296880.db2.gz FXLSCQJHBJOZKJ-SECBINFHSA-N 1 0 239.363 1.456 10 30 BDEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000262452932 135300044 /nfs/dbraw/zinc/30/00/44/135300044.db2.gz WJCXDEOQDHJFLJ-CABZTGNLSA-N 1 0 233.315 1.968 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](COC)C1 ZINC000262459189 135300132 /nfs/dbraw/zinc/30/01/32/135300132.db2.gz LXRKDAKCSJDRAU-WDEREUQCSA-N 1 0 239.363 1.329 10 30 BDEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000262452931 135300190 /nfs/dbraw/zinc/30/01/90/135300190.db2.gz WJCXDEOQDHJFLJ-BXKDBHETSA-N 1 0 233.315 1.968 10 30 BDEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000262452933 135300433 /nfs/dbraw/zinc/30/04/33/135300433.db2.gz WJCXDEOQDHJFLJ-JOYOIKCWSA-N 1 0 233.315 1.968 10 30 BDEERO C[C@@H]1C[NH+]=C(N[C@H]2C[C@@H]2C2CCCCC2)N1 ZINC000262474605 135301229 /nfs/dbraw/zinc/30/12/29/135301229.db2.gz BWEPHJXKNANMDO-JLLWLGSASA-N 1 0 221.348 1.893 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000262570775 135306269 /nfs/dbraw/zinc/30/62/69/135306269.db2.gz MYDPHZOLDKYDLT-OUAUKWLOSA-N 1 0 209.337 1.702 10 30 BDEERO CN(C)C(=[NH+]C[C@@H]1CC12CCOCC2)N(C)C ZINC000262772410 135317172 /nfs/dbraw/zinc/31/71/72/135317172.db2.gz HNTWXDYWRYTPJI-NSHDSACASA-N 1 0 239.363 1.282 10 30 BDEERO N#Cc1ccc(CNC(=[NH2+])N2CCC2)s1 ZINC000263127451 135335046 /nfs/dbraw/zinc/33/50/46/135335046.db2.gz MRWJYAMKAWDJMX-UHFFFAOYSA-N 1 0 220.301 1.140 10 30 BDEERO C[C@H]1CC(CNC(=[NH2+])N2CCC2)C[C@H](C)O1 ZINC000263175063 135337050 /nfs/dbraw/zinc/33/70/50/135337050.db2.gz SPRYNDOGWYHGSS-UWVGGRQHSA-N 1 0 225.336 1.210 10 30 BDEERO C[C@@H]1C[C@@H](CNC(=[NH2+])NC2CCC2)C[C@H](C)O1 ZINC000263208712 135339538 /nfs/dbraw/zinc/33/95/38/135339538.db2.gz YRMWNIFHXWOHRU-JGPRNRPPSA-N 1 0 239.363 1.647 10 30 BDEERO COC[C@H](C)NC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263283810 135344470 /nfs/dbraw/zinc/34/44/70/135344470.db2.gz SYWQIGFRNFJLLU-QWRGUYRKSA-N 1 0 239.363 1.648 10 30 BDEERO CCOC(=O)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000081546127 135387724 /nfs/dbraw/zinc/38/77/24/135387724.db2.gz LPJRRPHEEFNGQG-MNOVXSKESA-N 1 0 224.304 1.612 10 30 BDEERO C=CCOCCCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000662665062 409823959 /nfs/dbraw/zinc/82/39/59/409823959.db2.gz ZTDFFZZYGARQEK-WDEREUQCSA-N 1 0 228.336 1.069 10 30 BDEERO C#CCNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000037697775 166182721 /nfs/dbraw/zinc/18/27/21/166182721.db2.gz GPDAIYPNEUUSTF-WDEREUQCSA-N 1 0 246.310 1.223 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N1CCOc2ccccc2C1 ZINC000063013835 166187811 /nfs/dbraw/zinc/18/78/11/166187811.db2.gz KLLFAEIGJOIXGK-CYBMUJFWSA-N 1 0 244.338 1.492 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1cc(Br)cn1 ZINC000053538355 166188918 /nfs/dbraw/zinc/18/89/18/166188918.db2.gz JLWRYDCQTGHSQL-QMMMGPOBSA-N 1 0 242.120 1.429 10 30 BDEERO C#CC[NH2+]C[C@H](C)N1Cc2ccccc2C1 ZINC000053493189 166188940 /nfs/dbraw/zinc/18/89/40/166188940.db2.gz CXEGFESJUYISHB-LBPRGKRZSA-N 1 0 214.312 1.614 10 30 BDEERO C#CCOc1ccc(C[NH2+]C[C@H](C)O)cc1OC ZINC000045946079 166198708 /nfs/dbraw/zinc/19/87/08/166198708.db2.gz AJMGVMBGDJKJJX-NSHDSACASA-N 1 0 249.310 1.178 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054071792 166222163 /nfs/dbraw/zinc/22/21/63/166222163.db2.gz DRQAXFIBXNFGMB-SECBINFHSA-N 1 0 202.257 1.214 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062112512 166222710 /nfs/dbraw/zinc/22/27/10/166222710.db2.gz ZTSFCJHXXUANBP-NSHDSACASA-N 1 0 214.268 1.216 10 30 BDEERO C=CCN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000037817750 166310274 /nfs/dbraw/zinc/31/02/74/166310274.db2.gz LEUNJBJGYQNDEL-AWEZNQCLSA-N 1 0 246.354 1.979 10 30 BDEERO CC(C)NC1(C#N)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036924618 167092598 /nfs/dbraw/zinc/09/25/98/167092598.db2.gz PQBUCLBBVAUWBC-FOSCPWQOSA-N 1 0 207.321 1.503 10 30 BDEERO CC[NH+](CC)CCOc1ccc(C#N)cn1 ZINC000040239979 169783028 /nfs/dbraw/zinc/78/30/28/169783028.db2.gz RBBNXPHBVYLNFE-UHFFFAOYSA-N 1 0 219.288 1.674 10 30 BDEERO CC[NH+](CC)Cc1ccc(/C(N)=N/O)cc1F ZINC000019472501 169791096 /nfs/dbraw/zinc/79/10/96/169791096.db2.gz JRFVOFBLHZZSPF-UHFFFAOYSA-N 1 0 239.294 1.762 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000336696108 411401748 /nfs/dbraw/zinc/40/17/48/411401748.db2.gz ZJRMLFYQODFUFB-VOAKCMCISA-N 1 0 222.332 1.819 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659359186 411402178 /nfs/dbraw/zinc/40/21/78/411402178.db2.gz PSVSBJWIRSHCDO-NWDGAFQWSA-N 1 0 240.347 1.213 10 30 BDEERO C[N@@H+]1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616648962 411411335 /nfs/dbraw/zinc/41/13/35/411411335.db2.gz IBUQQJULUTZCAC-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccnc(C#N)c1 ZINC000092631325 169979092 /nfs/dbraw/zinc/97/90/92/169979092.db2.gz VKBRLOLUSIXOPO-AWEZNQCLSA-N 1 0 244.342 1.874 10 30 BDEERO CCNC(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000037471297 170084825 /nfs/dbraw/zinc/08/48/25/170084825.db2.gz YPUYHZHSENZCSN-UHFFFAOYSA-N 1 0 217.272 1.138 10 30 BDEERO CC[C@@H](C)CNC(=O)c1cncc(C#CC[NH3+])c1 ZINC000054491047 170706415 /nfs/dbraw/zinc/70/64/15/170706415.db2.gz QMMQELUWZNBPIW-LLVKDONJSA-N 1 0 245.326 1.168 10 30 BDEERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)cn2)C[NH2+]1 ZINC000600955676 411838182 /nfs/dbraw/zinc/83/81/82/411838182.db2.gz QFIHIBNAFZBZDL-MWLCHTKSSA-N 1 0 216.288 1.506 10 30 BDEERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)c1cccc(C#N)c1 ZINC000061980788 170793874 /nfs/dbraw/zinc/79/38/74/170793874.db2.gz QTXUCEOYDURSEP-MFKMUULPSA-N 1 0 245.326 1.894 10 30 BDEERO CC[C@@]1(C(=O)N(CCC#N)CCC#N)CC[NH2+]C1 ZINC000062896406 171194890 /nfs/dbraw/zinc/19/48/90/171194890.db2.gz QDIFUPWQWCUPJM-CYBMUJFWSA-N 1 0 248.330 1.032 10 30 BDEERO CC[C@H]([NH3+])Cc1cc(OC)ccc1OCC#N ZINC000037722820 171485446 /nfs/dbraw/zinc/48/54/46/171485446.db2.gz DYYGWDGKJGITBX-NSHDSACASA-N 1 0 234.299 1.877 10 30 BDEERO C=CCOCCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662663192 412262118 /nfs/dbraw/zinc/26/21/18/412262118.db2.gz GBPUYRMMUSWVOL-GFCCVEGCSA-N 1 0 240.347 1.228 10 30 BDEERO CN(C(=O)C(C)(C)[NH3+])c1cccc(C#N)c1 ZINC000061980763 172294634 /nfs/dbraw/zinc/29/46/34/172294634.db2.gz VECOJICJRXWURP-UHFFFAOYSA-N 1 0 217.272 1.258 10 30 BDEERO CN(C)C(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054828057 172360750 /nfs/dbraw/zinc/36/07/50/172360750.db2.gz FDOREBMTNXSVJQ-QWRGUYRKSA-N 1 0 223.320 1.137 10 30 BDEERO CN(CC[NH+](C)C)c1ccccc1C#N ZINC000104346746 172454373 /nfs/dbraw/zinc/45/43/73/172454373.db2.gz MPWAYDVSJIFPHB-UHFFFAOYSA-N 1 0 203.289 1.556 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccccc2C#N)C1 ZINC000042375207 173125280 /nfs/dbraw/zinc/12/52/80/173125280.db2.gz AXVYEFBSFCKSLP-LLVKDONJSA-N 1 0 201.273 1.674 10 30 BDEERO C[NH2+]CCC(=O)N(C)c1cccc(C#N)c1 ZINC000061980814 173339419 /nfs/dbraw/zinc/33/94/19/173339419.db2.gz MHRPEKSRNJRREG-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO C[NH2+]CCCC(=O)N(CCC#N)Cc1ccco1 ZINC000037824450 173343344 /nfs/dbraw/zinc/34/33/44/173343344.db2.gz PNRRNWGDWHBESB-UHFFFAOYSA-N 1 0 249.314 1.521 10 30 BDEERO C[NH2+]C[C@@H]1CCN(c2cccc(C#N)c2)C1 ZINC000077307522 173370601 /nfs/dbraw/zinc/37/06/01/173370601.db2.gz QRCJXYDBDUQGNP-LBPRGKRZSA-N 1 0 215.300 1.604 10 30 BDEERO C[NH2+]C[C@@H]1CCN(c2nc(C)ccc2C#N)C1 ZINC000071147927 173371085 /nfs/dbraw/zinc/37/10/85/173371085.db2.gz APPRMYMZJDAGJH-NSHDSACASA-N 1 0 230.315 1.307 10 30 BDEERO COC(=O)[C@H](Cc1cccc(C#N)c1)[C@@H](C)[NH3+] ZINC000022013025 173798436 /nfs/dbraw/zinc/79/84/36/173798436.db2.gz FWYKZUWBMJBOMM-BXKDBHETSA-N 1 0 232.283 1.237 10 30 BDEERO COCCOCc1ccc(C#CC[NH3+])cc1F ZINC000049610716 174364237 /nfs/dbraw/zinc/36/42/37/174364237.db2.gz GGUYFEIOPYBERC-UHFFFAOYSA-N 1 0 237.274 1.299 10 30 BDEERO COc1ccc(CC[NH3+])cc1OCCCC#N ZINC000037721752 175090331 /nfs/dbraw/zinc/09/03/31/175090331.db2.gz OJHPPNVUMDVZAK-UHFFFAOYSA-N 1 0 234.299 1.879 10 30 BDEERO COc1cccc([C@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000037940498 175291690 /nfs/dbraw/zinc/29/16/90/175291690.db2.gz SYTPWUPUTZUDNS-AWEZNQCLSA-N 1 0 245.326 1.555 10 30 BDEERO C[C@@H](C[N@H+](C)CCc1ccccc1)/C(N)=N/O ZINC000042458021 175701726 /nfs/dbraw/zinc/70/17/26/175701726.db2.gz HBDIDGZHNPPGQE-NSHDSACASA-N 1 0 235.331 1.543 10 30 BDEERO C[C@@H]([NH3+])Cc1noc(-c2cccc(C#N)c2)n1 ZINC000054161282 175808198 /nfs/dbraw/zinc/80/81/98/175808198.db2.gz DTFWXFLGOLUBPW-MRVPVSSYSA-N 1 0 228.255 1.498 10 30 BDEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)NC1CC1 ZINC000037749160 175897560 /nfs/dbraw/zinc/89/75/60/175897560.db2.gz HLCWRMVNEHQPIQ-SNVBAGLBSA-N 1 0 243.310 1.315 10 30 BDEERO C[C@@H](c1ccc(C#N)cc1)N1CCC[NH2+]CC1 ZINC000038086944 176013731 /nfs/dbraw/zinc/01/37/31/176013731.db2.gz TVGCOASKKAAEFT-LBPRGKRZSA-N 1 0 229.327 1.915 10 30 BDEERO C[C@H](C[NH3+])C(=O)N(C)c1ccc(C#N)cc1 ZINC000061980636 176655950 /nfs/dbraw/zinc/65/59/50/176655950.db2.gz DUUTZKIGWBARIY-SECBINFHSA-N 1 0 217.272 1.116 10 30 BDEERO C[C@H]([NH3+])c1ccc(N(CC#N)CC#N)c(F)c1 ZINC000019872235 176776797 /nfs/dbraw/zinc/77/67/97/176776797.db2.gz XJWAUFUXNILTNQ-VIFPVBQESA-N 1 0 232.262 1.699 10 30 BDEERO C[C@H]1C[N@H+](CCC[C@](C)(N)C#N)CCCO1 ZINC000061933077 177249161 /nfs/dbraw/zinc/24/91/61/177249161.db2.gz DDGNPNDGSYEKHV-RYUDHWBXSA-N 1 0 225.336 1.118 10 30 BDEERO C[C@H]1C[C@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000052299646 177384918 /nfs/dbraw/zinc/38/49/18/177384918.db2.gz BCYDVSLBXBHITL-WCBMZHEXSA-N 1 0 234.324 1.197 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000281513901 177394154 /nfs/dbraw/zinc/39/41/54/177394154.db2.gz AGFWVXXVURVFDB-ZWNOBZJWSA-N 1 0 243.310 1.315 10 30 BDEERO C=CCOCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398758161 262769106 /nfs/dbraw/zinc/76/91/06/262769106.db2.gz AMGPQVNQDZORMM-RWMBFGLXSA-N 1 0 225.332 1.282 10 30 BDEERO N#Cc1cnccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000399054575 262774870 /nfs/dbraw/zinc/77/48/70/262774870.db2.gz WUGYGFYEXOLOSO-WCFLWFBJSA-N 1 0 242.326 1.517 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252685691 487829532 /nfs/dbraw/zinc/82/95/32/487829532.db2.gz IMFVIHGUDGKNSW-DCAQKATOSA-N 1 0 210.321 1.442 10 30 BDEERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC(C)(C)C#N ZINC000399325218 323203864 /nfs/dbraw/zinc/20/38/64/323203864.db2.gz KVONKFFSJIZAJB-WDEREUQCSA-N 1 0 210.321 1.771 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1cnccc1C#N ZINC000320707564 323579178 /nfs/dbraw/zinc/57/91/78/323579178.db2.gz PDWSWFSHNYSPNT-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123128380 324085241 /nfs/dbraw/zinc/08/52/41/324085241.db2.gz QRCXOELGXVBWIJ-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO N#Cc1cncnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000310760731 326200958 /nfs/dbraw/zinc/20/09/58/326200958.db2.gz YSABZPULXVZBPK-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000390615801 488169584 /nfs/dbraw/zinc/16/95/84/488169584.db2.gz GVAIMHPOTIWBTI-QWRGUYRKSA-N 1 0 222.332 1.435 10 30 BDEERO C[NH2+]Cc1sc([C@@H](O)CC#N)nc1C ZINC000757132370 582506952 /nfs/dbraw/zinc/50/69/52/582506952.db2.gz SVXOAOLKUYDIGK-ZETCQYMHSA-N 1 0 211.290 1.118 10 30 BDEERO CC(C)(C)NC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262858636 534662082 /nfs/dbraw/zinc/66/20/82/534662082.db2.gz YREUJPJGDDKDGE-SNVBAGLBSA-N 1 0 239.363 1.506 10 30 BDEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249251500 534664354 /nfs/dbraw/zinc/66/43/54/534664354.db2.gz CDGMAMYEDYBFRS-AEJSXWLSSA-N 1 0 225.336 1.257 10 30 BDEERO CCCN(c1cc(C)nc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000308246195 528159437 /nfs/dbraw/zinc/15/94/37/528159437.db2.gz WHZIAUMPYIYSFJ-CYBMUJFWSA-N 1 0 244.342 1.840 10 30 BDEERO CCCN(c1cc(C)nc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000308246196 528159619 /nfs/dbraw/zinc/15/96/19/528159619.db2.gz WHZIAUMPYIYSFJ-ZDUSSCGKSA-N 1 0 244.342 1.840 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H](C)C(C)C ZINC000263279901 535263123 /nfs/dbraw/zinc/26/31/23/535263123.db2.gz ZSXGPTXFRZRAIZ-NEPJUHHUSA-N 1 0 241.379 1.765 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCS1)N[C@@H]1C[C@@H]1C ZINC000157377387 535263642 /nfs/dbraw/zinc/26/36/42/535263642.db2.gz MECIIRIFSAWZHZ-GARJFASQSA-N 1 0 241.404 1.846 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](COC)C1 ZINC000262496236 535265610 /nfs/dbraw/zinc/26/56/10/535265610.db2.gz WMQPISQAPNMIOC-QJPTWQEYSA-N 1 0 239.363 1.329 10 30 BDEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])N1CCC1 ZINC000263210605 535892471 /nfs/dbraw/zinc/89/24/71/535892471.db2.gz YZMROKRMIZAKIL-ZYHUDNBSSA-N 1 0 209.337 1.832 10 30 BDEERO CNC(=O)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248896119 536384207 /nfs/dbraw/zinc/38/42/07/536384207.db2.gz TWOAIUHCMYMJQH-GRYCIOLGSA-N 1 0 237.347 1.429 10 30 BDEERO CCC=NOC[C@@H](O)C[NH2+]C(C)(C)C ZINC000383914313 581093743 /nfs/dbraw/zinc/09/37/43/581093743.db2.gz AJULDGAPFSVVHF-VIFPVBQESA-N 1 0 202.298 1.148 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCCCC#N)C[C@H]1C ZINC000094996433 635401377 /nfs/dbraw/zinc/40/13/77/635401377.db2.gz VJSJAZRWOCNCLP-MNOVXSKESA-N 1 0 224.304 1.421 10 30 BDEERO C[C@H]([NH3+])CN(C)c1ccc(C#N)cc1F ZINC000308872066 632036941 /nfs/dbraw/zinc/03/69/41/632036941.db2.gz ZKQXXFUDGAZMCW-QMMMGPOBSA-N 1 0 207.252 1.481 10 30 BDEERO COC1CC([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000308925042 632460074 /nfs/dbraw/zinc/46/00/74/632460074.db2.gz HZYUSZUPTNQLLM-QYNFOATHSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1ccc(C#N)c(Cl)c1 ZINC000309038807 632621653 /nfs/dbraw/zinc/62/16/53/632621653.db2.gz IGFWORGXYOMDCS-MRVPVSSYSA-N 1 0 223.707 1.995 10 30 BDEERO Cc1cc(C[NH2+][C@H](C)[C@@H](C)O)ccc1C#N ZINC000309977875 632688378 /nfs/dbraw/zinc/68/83/78/632688378.db2.gz UPHFHFKTBNPXLD-GHMZBOCLSA-N 1 0 218.300 1.726 10 30 BDEERO N#Cc1sc(NCC[NH2+]C2CC2)nc1Cl ZINC000236076254 632873721 /nfs/dbraw/zinc/87/37/21/632873721.db2.gz UFQSMMSGRCYFRP-UHFFFAOYSA-N 1 0 242.735 1.832 10 30 BDEERO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)CO ZINC000229137606 635901827 /nfs/dbraw/zinc/90/18/27/635901827.db2.gz KGSYYZPUOKVPOX-UHFFFAOYSA-N 1 0 218.300 1.727 10 30 BDEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H](C)O ZINC000336668248 635199497 /nfs/dbraw/zinc/19/94/97/635199497.db2.gz WQBJNMBFNOQWGU-SFYZADRCSA-N 1 0 210.302 1.479 10 30 BDEERO C#CCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000232525069 641294755 /nfs/dbraw/zinc/29/47/55/641294755.db2.gz URBBJUFLHQUYSD-UHFFFAOYSA-N 1 0 206.293 1.146 10 30 BDEERO C#CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000069768769 642904974 /nfs/dbraw/zinc/90/49/74/642904974.db2.gz ZOKUKDBVOSKORK-UHFFFAOYSA-N 1 0 205.305 1.751 10 30 BDEERO C#CCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000070197473 642996914 /nfs/dbraw/zinc/99/69/14/642996914.db2.gz GCZGYHOUPBDKRK-UHFFFAOYSA-N 1 0 249.310 1.825 10 30 BDEERO C#CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000070246076 643004975 /nfs/dbraw/zinc/00/49/75/643004975.db2.gz PJFLAVYJGQVPOY-UHFFFAOYSA-N 1 0 225.295 1.985 10 30 BDEERO CCN(c1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000070901504 643081712 /nfs/dbraw/zinc/08/17/12/643081712.db2.gz HEPVNTBYFHVLQE-ZDUSSCGKSA-N 1 0 215.300 1.746 10 30 BDEERO C#C[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000186050194 643431446 /nfs/dbraw/zinc/43/14/46/643431446.db2.gz ZJKBRGXGALUGPD-WOPDTQHZSA-N 1 0 237.347 1.036 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000307029305 643807032 /nfs/dbraw/zinc/80/70/32/643807032.db2.gz JCIMPXKFBYPVAT-RFZPGFLSSA-N 1 0 230.724 1.816 10 30 BDEERO C#C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000248563762 644689730 /nfs/dbraw/zinc/68/97/30/644689730.db2.gz OPRDUPRQRHUHHJ-NEPJUHHUSA-N 1 0 237.347 1.134 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H]1C ZINC000095019618 644736690 /nfs/dbraw/zinc/73/66/90/644736690.db2.gz RRTVKTAHYKBVCR-MNOVXSKESA-N 1 0 236.315 1.421 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCCC#N)C[C@@H]1C ZINC000094996710 644737153 /nfs/dbraw/zinc/73/71/53/644737153.db2.gz AANGEEMCNNCOKC-UWVGGRQHSA-N 1 0 210.277 1.031 10 30 BDEERO Cc1ccc(CN(C)[C@H](C)C(N)=O)cc1C#N ZINC000711140211 712285397 /nfs/dbraw/zinc/28/53/97/712285397.db2.gz WKGSKBMYFXQHDD-SNVBAGLBSA-N 1 0 231.299 1.172 10 30 BDEERO C#CC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000717801177 712679546 /nfs/dbraw/zinc/67/95/46/712679546.db2.gz JUAHZDMPAWTVOF-GXTWGEPZSA-N 1 0 215.296 1.648 10 30 BDEERO N#Cc1cc(N2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000723683597 711533818 /nfs/dbraw/zinc/53/38/18/711533818.db2.gz QWXSRSLCRPJLDZ-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1cccnc1N1CC[C@@H](CC[NH3+])C1 ZINC000723683626 711533757 /nfs/dbraw/zinc/53/37/57/711533757.db2.gz RRMTXXJHMPVABD-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO Cc1cc(N2CC[C@@H](CC[NH3+])C2)c(C#N)cn1 ZINC000723685113 711533825 /nfs/dbraw/zinc/53/38/25/711533825.db2.gz ATACCAZDNAPCHD-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(N2CC[C@@H](CC[NH3+])C2)cc(C#N)n1 ZINC000723685531 711533986 /nfs/dbraw/zinc/53/39/86/711533986.db2.gz IPULNKJBQVEXQQ-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000229193612 711759586 /nfs/dbraw/zinc/75/95/86/711759586.db2.gz HVANLRAOYVGZMC-QZCIIZHISA-N 1 0 240.372 1.569 10 30 BDEERO CC1(C)C[NH2+]C[C@H]1Nc1cc(C#N)ccn1 ZINC000721939286 711943032 /nfs/dbraw/zinc/94/30/32/711943032.db2.gz KMKLJZLOWDZETC-SNVBAGLBSA-N 1 0 216.288 1.363 10 30 BDEERO Cc1cc(C#N)nc(NCCCCCC[NH3+])n1 ZINC000700490841 711994630 /nfs/dbraw/zinc/99/46/30/711994630.db2.gz YWUXVACJLXUEDI-UHFFFAOYSA-N 1 0 233.319 1.588 10 30 BDEERO CCC1([NH3+])CCN(c2nccnc2C#N)CC1 ZINC000714751756 712497062 /nfs/dbraw/zinc/49/70/62/712497062.db2.gz HAIZXEGLYRXZNP-UHFFFAOYSA-N 1 0 231.303 1.056 10 30 BDEERO CCC1([NH3+])CCN(c2ncccc2C#N)CC1 ZINC000714751863 712497366 /nfs/dbraw/zinc/49/73/66/712497366.db2.gz IYVIZAOIWUYWOK-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO N#Cc1cc(F)c(NC[C@H]2C[C@H]([NH3+])C2)c(F)c1 ZINC000715096866 712508428 /nfs/dbraw/zinc/50/84/28/712508428.db2.gz OGWUHYMACDQDKB-KYZUINATSA-N 1 0 237.253 1.986 10 30 BDEERO Cc1cc(N2C[C@H]([NH3+])C(C)(C)C2)c(C#N)cn1 ZINC000720755480 712863890 /nfs/dbraw/zinc/86/38/90/712863890.db2.gz IHSUDEPKGMBTJO-LBPRGKRZSA-N 1 0 230.315 1.435 10 30 BDEERO CC1(C)CN(c2cccc(F)c2C#N)C[C@H]1[NH3+] ZINC000720815582 712868353 /nfs/dbraw/zinc/86/83/53/712868353.db2.gz FWJBGVLBZORBIJ-GFCCVEGCSA-N 1 0 233.290 1.871 10 30 BDEERO Cc1nc(NCC[C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000721029322 712887550 /nfs/dbraw/zinc/88/75/50/712887550.db2.gz UWSQCYCDGKSQOO-ZWNOBZJWSA-N 1 0 244.342 1.919 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cc(C#N)ccn1 ZINC000721099190 712891184 /nfs/dbraw/zinc/89/11/84/712891184.db2.gz YDGCOCZYUDHZCK-ZYHUDNBSSA-N 1 0 230.315 1.611 10 30 BDEERO CSC[C@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685953443 538898212 /nfs/dbraw/zinc/89/82/12/538898212.db2.gz MMDNQLNNSMUERN-MRVPVSSYSA-N 1 0 215.318 1.022 10 30 BDEERO CC(C)(C)OC(=O)C#CC12CC[NH+](CC1)C2 ZINC000685954717 538899301 /nfs/dbraw/zinc/89/93/01/538899301.db2.gz ZLMTURCTAWDXSF-UHFFFAOYSA-N 1 0 221.300 1.427 10 30 BDEERO C#CCCC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961989 538909298 /nfs/dbraw/zinc/90/92/98/538909298.db2.gz QUDFRMSRUMIGPL-AWEZNQCLSA-N 1 0 244.338 1.428 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382477082 398173373 /nfs/dbraw/zinc/17/33/73/398173373.db2.gz UFOTXOWWBFNUCB-NXEZZACHSA-N 1 0 231.303 1.196 10 30 BDEERO Cc1cc(O)cc2sc(NC(N)=[NH2+])nc21 ZINC000084655163 178199951 /nfs/dbraw/zinc/19/99/51/178199951.db2.gz CRAKYOYCDOXECH-UHFFFAOYSA-N 1 0 222.273 1.215 10 30 BDEERO C=CCCOCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000182816356 136228585 /nfs/dbraw/zinc/22/85/85/136228585.db2.gz NIKYEASSRVVTCE-MNOVXSKESA-N 1 0 228.336 1.069 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000050430446 178367568 /nfs/dbraw/zinc/36/75/68/178367568.db2.gz SEXLHGMGJKRZCN-LBPRGKRZSA-N 1 0 243.310 1.805 10 30 BDEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000336378280 342804660 /nfs/dbraw/zinc/80/46/60/342804660.db2.gz RLJYPKCTNTUOAL-SNVBAGLBSA-N 1 0 247.298 1.365 10 30 BDEERO CN/C(=[NH+]/N)c1ccc(Br)cc1C ZINC000042035407 361927709 /nfs/dbraw/zinc/92/77/09/361927709.db2.gz UJOAMVMYJIMFKY-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1ccnc(C#N)c1 ZINC000087780270 488182340 /nfs/dbraw/zinc/18/23/40/488182340.db2.gz AIZQKELTOTVXIL-LLVKDONJSA-N 1 0 218.304 1.883 10 30 BDEERO [NH3+][C@H]1CCCC[C@@H]1C(=O)C1=CCCCO1 ZINC000167701697 346892664 /nfs/dbraw/zinc/89/26/64/346892664.db2.gz KHUFASZHAWMTKE-UWVGGRQHSA-N 1 0 209.289 1.767 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335622115 398342053 /nfs/dbraw/zinc/34/20/53/398342053.db2.gz ZSBWNSYPCVAYJA-VXGBXAGGSA-N 1 0 206.289 1.615 10 30 BDEERO C[C@@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000088125072 259333365 /nfs/dbraw/zinc/33/33/65/259333365.db2.gz YDTYIEPLWQCPAC-LURJTMIESA-N 1 0 211.215 1.596 10 30 BDEERO C[N@@H+]1CC[C@]2(CCN(CC3(C#N)CCC3)C2)C1 ZINC000336269982 136263723 /nfs/dbraw/zinc/26/37/23/136263723.db2.gz ANYGLLJBORMUTE-AWEZNQCLSA-N 1 0 233.359 1.708 10 30 BDEERO CCOC(=O)c1[nH]cc(C)c1/[NH+]=C/N(C)C ZINC000114907130 343120640 /nfs/dbraw/zinc/12/06/40/343120640.db2.gz SCRVTBKZMZRQKO-NTUHNPAUSA-N 1 0 223.276 1.721 10 30 BDEERO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309977156 343124569 /nfs/dbraw/zinc/12/45/69/343124569.db2.gz UELALRWPSKLAOY-MNOVXSKESA-N 1 0 223.320 1.137 10 30 BDEERO CCCCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000036511896 343319994 /nfs/dbraw/zinc/31/99/94/343319994.db2.gz GTSCWDQIZUNUMA-DHDCSXOGSA-N 1 0 234.303 1.682 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000054825912 136373196 /nfs/dbraw/zinc/37/31/96/136373196.db2.gz ZFUWFLPBBJHIMI-SRVKXCTJSA-N 1 0 208.305 1.695 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1cnc2ccccc21 ZINC000053521506 166187908 /nfs/dbraw/zinc/18/79/08/166187908.db2.gz ZWXBZKDPUPBLEU-LLVKDONJSA-N 1 0 213.284 1.820 10 30 BDEERO Cn1ccnc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000070853304 343514711 /nfs/dbraw/zinc/51/47/11/343514711.db2.gz AIRDFUZDSKQRIO-GHMZBOCLSA-N 1 0 218.304 1.592 10 30 BDEERO C[N@@H+]1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616598917 343519091 /nfs/dbraw/zinc/51/90/91/343519091.db2.gz VMHGFVYXZIVSQQ-ZDUSSCGKSA-N 1 0 216.284 1.604 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000019875623 166191449 /nfs/dbraw/zinc/19/14/49/166191449.db2.gz HRFNKLFKIMKMMK-JTQLQIEISA-N 1 0 237.324 1.374 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH2+]C)C1 ZINC000150194528 349876878 /nfs/dbraw/zinc/87/68/78/349876878.db2.gz JQNCEBVGXQRFMM-MRVPVSSYSA-N 1 0 219.126 1.189 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2ccc(F)cc2)C1 ZINC000409442559 343858547 /nfs/dbraw/zinc/85/85/47/343858547.db2.gz WYMGDPMSCXIEKF-GFCCVEGCSA-N 1 0 219.263 1.294 10 30 BDEERO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000130814091 344224477 /nfs/dbraw/zinc/22/44/77/344224477.db2.gz ULIMVYMMDBUFLY-MNOVXSKESA-N 1 0 231.361 1.508 10 30 BDEERO CCN(CC[NH3+])c1ccc(C#N)cc1F ZINC000165933006 344240154 /nfs/dbraw/zinc/24/01/54/344240154.db2.gz WCLVRGWNRHDIBS-UHFFFAOYSA-N 1 0 207.252 1.482 10 30 BDEERO C[C@@]1(C(=O)C2=COCCC2)CCC[C@H]1[NH3+] ZINC000135434226 344275126 /nfs/dbraw/zinc/27/51/26/344275126.db2.gz FEKVELUJHAXKLQ-ZYHUDNBSSA-N 1 0 209.289 1.767 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000054824297 344457600 /nfs/dbraw/zinc/45/76/00/344457600.db2.gz LWTPOISJNULTRM-SRVKXCTJSA-N 1 0 208.305 1.837 10 30 BDEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1C[NH3+] ZINC000600961491 344690906 /nfs/dbraw/zinc/69/09/06/344690906.db2.gz ROYSBMJTGGBQON-NXEZZACHSA-N 1 0 233.290 1.728 10 30 BDEERO N#Cc1cc(Br)cc(NCC[NH3+])c1 ZINC000227642117 344709306 /nfs/dbraw/zinc/70/93/06/344709306.db2.gz HSUZNFMORFGZKG-UHFFFAOYSA-N 1 0 240.104 1.691 10 30 BDEERO CC[NH2+]CC(=O)Nc1sccc1C#N ZINC000044286890 345008725 /nfs/dbraw/zinc/00/87/25/345008725.db2.gz RUYKZULHRHSEAY-UHFFFAOYSA-N 1 0 209.274 1.168 10 30 BDEERO [NH3+]CC#Cc1cccc(Br)c1 ZINC000238597726 345087366 /nfs/dbraw/zinc/08/73/66/345087366.db2.gz JYRYZHLPCCTOKU-UHFFFAOYSA-N 1 0 210.074 1.759 10 30 BDEERO N#Cc1ccc(OC(F)(F)F)c(C[NH3+])n1 ZINC000238576284 345082601 /nfs/dbraw/zinc/08/26/01/345082601.db2.gz KDKPAWUAHRZZID-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@@H]1COCC[NH2+]1 ZINC000236200224 346206367 /nfs/dbraw/zinc/20/63/67/346206367.db2.gz VXUNKGOIKWGKQE-LLVKDONJSA-N 1 0 235.262 1.098 10 30 BDEERO CCN1CCO[C@@H](CNc2ccnc(C#N)c2)C1 ZINC000158932022 346271572 /nfs/dbraw/zinc/27/15/72/346271572.db2.gz GMAIKQAPWGAZIV-ZDUSSCGKSA-N 1 0 246.314 1.086 10 30 BDEERO C=CCCCN(C)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000158814542 346758610 /nfs/dbraw/zinc/75/86/10/346758610.db2.gz HOUYTJXKLHECHD-MNOVXSKESA-N 1 0 210.321 1.267 10 30 BDEERO CC[C@H]1CN(c2cc(C)nc(C#N)c2)CC[C@H]1[NH3+] ZINC000308245962 346761971 /nfs/dbraw/zinc/76/19/71/346761971.db2.gz TXBZCZSAEWQXKA-SMDDNHRTSA-N 1 0 244.342 1.825 10 30 BDEERO C=C(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616569737 347815879 /nfs/dbraw/zinc/81/58/79/347815879.db2.gz CRQMSJPROSJWGM-HTQZYQBOSA-N 1 0 236.237 1.219 10 30 BDEERO Cc1ccccc1[C@H](C#N)N1CCC[NH2+]CC1 ZINC000037940475 179332585 /nfs/dbraw/zinc/33/25/85/179332585.db2.gz RCTPGGAWQJAGQT-AWEZNQCLSA-N 1 0 229.327 1.855 10 30 BDEERO Cc1cc(C)c(C#N)c(N(C)CC(C)(C)[NH3+])n1 ZINC000594692898 348100422 /nfs/dbraw/zinc/10/04/22/348100422.db2.gz FIVKVWHNGBUVND-UHFFFAOYSA-N 1 0 232.331 1.744 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ncc([N+](=O)[O-])cc1C#N ZINC000594693943 348100826 /nfs/dbraw/zinc/10/08/26/348100826.db2.gz ZSHQAGWCOMMGNF-UHFFFAOYSA-N 1 0 249.274 1.035 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000082627549 348189059 /nfs/dbraw/zinc/18/90/59/348189059.db2.gz ICFJPNXNGWHMAG-RKDXNWHRSA-N 1 0 236.237 1.847 10 30 BDEERO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000595841387 348376434 /nfs/dbraw/zinc/37/64/34/348376434.db2.gz LKRPZRGFEKCAPI-FRRDWIJNSA-N 1 0 222.332 1.773 10 30 BDEERO C[N@@H+]1CCC[C@H]1CN1CC[C@@](C)(C#N)C1 ZINC000595842935 348380386 /nfs/dbraw/zinc/38/03/86/348380386.db2.gz WNEIRTGRSLLCKX-RYUDHWBXSA-N 1 0 207.321 1.316 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000595979683 348414525 /nfs/dbraw/zinc/41/45/25/348414525.db2.gz CIKSVFYIDVVWPF-STQMWFEESA-N 1 0 235.331 1.281 10 30 BDEERO N#Cc1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000596027748 348425277 /nfs/dbraw/zinc/42/52/77/348425277.db2.gz WIICMSDEWNZSGZ-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000596030893 348426589 /nfs/dbraw/zinc/42/65/89/348426589.db2.gz PAVUZDPNMGJFMF-SNVBAGLBSA-N 1 0 244.342 1.852 10 30 BDEERO CC(C)(C)[N@@H+]1CCc2nc(N)c(C#N)cc2C1 ZINC000725246578 538006510 /nfs/dbraw/zinc/00/65/10/538006510.db2.gz YMHKUXBCJABNPN-UHFFFAOYSA-N 1 0 230.315 1.692 10 30 BDEERO CC[C@H](CC#N)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597087881 348656712 /nfs/dbraw/zinc/65/67/12/348656712.db2.gz WFDSMOQHLHLMBH-GRYCIOLGSA-N 1 0 208.305 1.836 10 30 BDEERO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000597198792 348674522 /nfs/dbraw/zinc/67/45/22/348674522.db2.gz PUTLPCJYMUQOTO-JSGCOSHPSA-N 1 0 249.358 1.669 10 30 BDEERO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000308889414 349023913 /nfs/dbraw/zinc/02/39/13/349023913.db2.gz VTWPINFTFABMJP-WOPDTQHZSA-N 1 0 208.305 1.837 10 30 BDEERO C=CC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161274877 349413354 /nfs/dbraw/zinc/41/33/54/349413354.db2.gz ASBROHXJNHGFRP-NSHDSACASA-N 1 0 220.320 1.663 10 30 BDEERO CCn1cnnc1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000161296648 349418161 /nfs/dbraw/zinc/41/81/61/349418161.db2.gz SPJBHERKRQVXLH-LBPRGKRZSA-N 1 0 247.346 1.781 10 30 BDEERO Cc1nn(C)c(NCC[C@H]2CCC[NH2+]C2)c1C#N ZINC000104314867 180358055 /nfs/dbraw/zinc/35/80/55/180358055.db2.gz IUJXOQPZKCUVCI-LLVKDONJSA-N 1 0 247.346 1.402 10 30 BDEERO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000162900408 350459487 /nfs/dbraw/zinc/45/94/87/350459487.db2.gz HAWMLXPXYJUCIA-NSHDSACASA-N 1 0 210.321 1.631 10 30 BDEERO C#CCn1cc(CC[NH3+])c(-c2cccnc2)n1 ZINC000409438039 350481388 /nfs/dbraw/zinc/48/13/88/350481388.db2.gz JSKGLRBPALDESH-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO N#Cc1nccc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000386343396 362969690 /nfs/dbraw/zinc/96/96/90/362969690.db2.gz LYAYKVOUJPZCRX-NSHDSACASA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1ccnc(N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382450066 350815920 /nfs/dbraw/zinc/81/59/20/350815920.db2.gz DKDMCCWNZKGGCZ-GXSJLCMTSA-N 1 0 216.288 1.493 10 30 BDEERO N#Cc1cccc([C@H]2COCCC[N@H+]2CCO)c1 ZINC000616600023 350777955 /nfs/dbraw/zinc/77/79/55/350777955.db2.gz XMTAFRDREIRLOE-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO O[C@@H]1CC[C@H]2C[N@H+](CCS)C[C@H]2C1 ZINC000306691344 350844581 /nfs/dbraw/zinc/84/45/81/350844581.db2.gz QFXCVAQHVIUXAE-IVZWLZJFSA-N 1 0 201.335 1.009 10 30 BDEERO C=C(C(F)(F)F)C1(O)CC[NH+](C)CC1 ZINC000306699775 350849489 /nfs/dbraw/zinc/84/94/89/350849489.db2.gz DUPJXGVWTNQRTC-UHFFFAOYSA-N 1 0 209.211 1.562 10 30 BDEERO C=CC[C@@H](CO)C[NH2+]Cc1cnn(C)c1C ZINC000336684895 350928974 /nfs/dbraw/zinc/92/89/74/350928974.db2.gz ICTBOESIVVPUMW-LLVKDONJSA-N 1 0 223.320 1.003 10 30 BDEERO N#CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000306724362 350892889 /nfs/dbraw/zinc/89/28/89/350892889.db2.gz IOWQMLKHBAVJKJ-OPRDCNLKSA-N 1 0 228.386 1.869 10 30 BDEERO N#CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000306724363 350892975 /nfs/dbraw/zinc/89/29/75/350892975.db2.gz IOWQMLKHBAVJKJ-UTLUCORTSA-N 1 0 228.386 1.869 10 30 BDEERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2C#N)C1 ZINC000616632318 351111678 /nfs/dbraw/zinc/11/16/78/351111678.db2.gz MNSXANKPXSTKDZ-CQSZACIVSA-N 1 0 229.327 1.913 10 30 BDEERO N#Cc1ccccc1[C@@H]1CCN(CC[NH3+])C1 ZINC000616623199 351088640 /nfs/dbraw/zinc/08/86/40/351088640.db2.gz CKKGSQJTUZQFKW-GFCCVEGCSA-N 1 0 215.300 1.306 10 30 BDEERO Cc1cc(C#N)cc(N(C)[C@@H](C)C[NH3+])n1 ZINC000383000407 351162758 /nfs/dbraw/zinc/16/27/58/351162758.db2.gz RCIZBEHIWXWBII-VIFPVBQESA-N 1 0 204.277 1.045 10 30 BDEERO CNC(=O)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000398385300 351128164 /nfs/dbraw/zinc/12/81/64/351128164.db2.gz VWQBUCRLTKNGRS-QWRGUYRKSA-N 1 0 223.320 1.185 10 30 BDEERO C=C(Br)CN1CCC[C@@H]([NH3+])[C@H]1C ZINC000306829406 351139730 /nfs/dbraw/zinc/13/97/30/351139730.db2.gz JSRXNHDGGXZJPD-RKDXNWHRSA-N 1 0 233.153 1.707 10 30 BDEERO N#Cc1cccc([C@H]2CCOCCN2CC[NH3+])c1 ZINC000616656447 351202276 /nfs/dbraw/zinc/20/22/76/351202276.db2.gz AVPGGRZIQSCAFO-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO N#Cc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616662514 351218366 /nfs/dbraw/zinc/21/83/66/351218366.db2.gz IMZKYXLRWWRISG-LLVKDONJSA-N 1 0 202.257 1.262 10 30 BDEERO N#Cc1ccc([C@H]2CCN(CC[NH3+])CCO2)cc1 ZINC000616665970 351224101 /nfs/dbraw/zinc/22/41/01/351224101.db2.gz BDKIPGRKJIZZPO-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO C=C[C@@H]([NH3+])c1ncncc1Br ZINC000307033645 351433473 /nfs/dbraw/zinc/43/34/73/351433473.db2.gz MEYZDYGRWSXWGG-ZCFIWIBFSA-N 1 0 214.066 1.425 10 30 BDEERO Cc1cc(C#N)nc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000231944120 351475585 /nfs/dbraw/zinc/47/55/85/351475585.db2.gz IEQGIRBJHJFAKD-LBPRGKRZSA-N 1 0 247.346 1.466 10 30 BDEERO C=C(Br)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000307106643 351481959 /nfs/dbraw/zinc/48/19/59/351481959.db2.gz DXHDLWOVZJAHJZ-SNVBAGLBSA-N 1 0 245.164 1.580 10 30 BDEERO C#Cc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000606302251 351554690 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ZINC000336743379 352510267 /nfs/dbraw/zinc/51/02/67/352510267.db2.gz OYHIZVDPJIYANT-NNYUYHANSA-N 1 0 224.348 1.844 10 30 BDEERO C[C@H]1c2ccsc2CCN1/C(N)=[NH+]/O ZINC000052834068 353109208 /nfs/dbraw/zinc/10/92/08/353109208.db2.gz DGRTVLQVDFSJQH-LURJTMIESA-N 1 0 211.290 1.371 10 30 BDEERO C=CCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000161389832 353280928 /nfs/dbraw/zinc/28/09/28/353280928.db2.gz LAFHDIRGFUWJKO-CQSZACIVSA-N 1 0 246.354 1.804 10 30 BDEERO CC(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037471194 188280967 /nfs/dbraw/zinc/28/09/67/188280967.db2.gz YNIFAZZMUISCIK-UHFFFAOYSA-N 1 0 206.220 1.094 10 30 BDEERO C[NH+](C)CCOc1ccc(C#N)c(C#N)c1 ZINC000039343559 188283765 /nfs/dbraw/zinc/28/37/65/188283765.db2.gz HPODFACZIGFMJV-UHFFFAOYSA-N 1 0 215.256 1.370 10 30 BDEERO COc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940530 188288844 /nfs/dbraw/zinc/28/88/44/188288844.db2.gz MRGSSTMOAHCXIX-AWEZNQCLSA-N 1 0 245.326 1.555 10 30 BDEERO Cn1ccnc1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054828388 188300803 /nfs/dbraw/zinc/30/08/03/188300803.db2.gz BXQSFFBNGDHZOB-WDEREUQCSA-N 1 0 218.304 1.244 10 30 BDEERO N#CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000054138661 188300863 /nfs/dbraw/zinc/30/08/63/188300863.db2.gz DGMURTAGEPTLHZ-LBPRGKRZSA-N 1 0 231.299 1.496 10 30 BDEERO C=C(Br)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750461 188319572 /nfs/dbraw/zinc/31/95/72/188319572.db2.gz REQRPRQMNIJPGM-PBINXNQUSA-N 1 0 245.164 1.849 10 30 BDEERO C#CC[C@H]([NH3+])c1ccc(Br)cn1 ZINC000163571401 353354469 /nfs/dbraw/zinc/35/44/69/353354469.db2.gz LUVRAKGCCGFOFO-QMMMGPOBSA-N 1 0 225.089 1.867 10 30 BDEERO C[C@H]1C[C@@H]1C(=O)Nc1ncc(C#CC[NH3+])s1 ZINC000037471174 188325361 /nfs/dbraw/zinc/32/53/61/188325361.db2.gz IGUDQPRHTPKZTD-CBAPKCEASA-N 1 0 235.312 1.048 10 30 BDEERO CC(C)N(C)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000037570000 188325822 /nfs/dbraw/zinc/32/58/22/188325822.db2.gz IVGXFNRIMDRHHE-UHFFFAOYSA-N 1 0 248.301 1.616 10 30 BDEERO C=C(Br)CN(C)C1CC[NH2+]CC1 ZINC000037681907 188326233 /nfs/dbraw/zinc/32/62/33/188326233.db2.gz DRMRZIAKYZRDMH-UHFFFAOYSA-N 1 0 233.153 1.579 10 30 BDEERO C=CCNC(=O)[C@@H](C)N(CCC#N)C(C)C ZINC000042530618 166381777 /nfs/dbraw/zinc/38/17/77/166381777.db2.gz KSKGGRKPEWGAAO-LLVKDONJSA-N 1 0 223.320 1.301 10 30 BDEERO C#CC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000020084681 188384648 /nfs/dbraw/zinc/38/46/48/188384648.db2.gz OWMXXDCXVNOJIR-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c(C#N)cn1 ZINC000398997415 353483592 /nfs/dbraw/zinc/48/35/92/353483592.db2.gz AUIKKLIRAXOIKS-PSASIEDQSA-N 1 0 218.304 1.221 10 30 BDEERO C=C(Br)CSC(=[NH2+])NC ZINC000060511582 353475321 /nfs/dbraw/zinc/47/53/21/353475321.db2.gz UXDJZAHZTGDEBS-UHFFFAOYSA-N 1 0 209.112 1.573 10 30 BDEERO CC[C@@](C)(C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000136246911 353614002 /nfs/dbraw/zinc/61/40/02/353614002.db2.gz BWGKNNVMDAQRKT-PWSUYJOCSA-N 1 0 223.320 1.089 10 30 BDEERO N#Cc1cnccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000399025956 353683557 /nfs/dbraw/zinc/68/35/57/353683557.db2.gz JTYMCWNXUCGHJK-NSHDSACASA-N 1 0 230.315 1.518 10 30 BDEERO N#CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000082638987 181042056 /nfs/dbraw/zinc/04/20/56/181042056.db2.gz RLAXJQCESFKMLB-GFCCVEGCSA-N 1 0 201.273 1.068 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000054825558 181069127 /nfs/dbraw/zinc/06/91/27/181069127.db2.gz JCSXOAQKYAKYJA-OLZOCXBDSA-N 1 0 215.300 1.906 10 30 BDEERO N#Cc1cc(NC(=O)C[NH3+])ccc1Cl ZINC000037018676 181090123 /nfs/dbraw/zinc/09/01/23/181090123.db2.gz PYJKPHHRUFSPNF-UHFFFAOYSA-N 1 0 209.636 1.109 10 30 BDEERO N#Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000061812489 181091638 /nfs/dbraw/zinc/09/16/38/181091638.db2.gz UQBPEHBXFHZVJP-RYUDHWBXSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1cc(OC[C@H]2CCC[NH2+]2)ccn1 ZINC000061813070 181092254 /nfs/dbraw/zinc/09/22/54/181092254.db2.gz ACSHRCIUSHMDSO-SECBINFHSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc(C[C@H]2C[NH2+]CCC2=O)cc1 ZINC000005674103 181111047 /nfs/dbraw/zinc/11/10/47/181111047.db2.gz AGPANHKQCVCSGX-LBPRGKRZSA-N 1 0 214.268 1.279 10 30 BDEERO N#Cc1ccc(C[NH2+]CCc2nnc[nH]2)s1 ZINC000119085689 181108709 /nfs/dbraw/zinc/10/87/09/181108709.db2.gz ZVSCLYHQNWKWOG-UHFFFAOYSA-N 1 0 233.300 1.070 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000135502186 181108756 /nfs/dbraw/zinc/10/87/56/181108756.db2.gz UMROWLYEZZTIRF-CABZTGNLSA-N 1 0 236.340 1.870 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000135487903 181108840 /nfs/dbraw/zinc/10/88/40/181108840.db2.gz GTQGTZOPDBWSHI-CABZTGNLSA-N 1 0 220.272 1.402 10 30 BDEERO N#Cc1ccc(Cl)cc1N[C@H]1C[C@@H]1[NH3+] ZINC000062785726 181111928 /nfs/dbraw/zinc/11/19/28/181111928.db2.gz QVIBBWIVCSYHAD-WPRPVWTQSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(F)c(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782539 181112535 /nfs/dbraw/zinc/11/25/35/181112535.db2.gz IITIBADMZVSHMZ-LLVKDONJSA-N 1 0 220.247 1.576 10 30 BDEERO N#Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000037386718 181118091 /nfs/dbraw/zinc/11/80/91/181118091.db2.gz JNGZACGSPSHDAL-UHFFFAOYSA-N 1 0 215.256 1.249 10 30 BDEERO N#Cc1ccc(OCCC[NH3+])c(Cl)c1 ZINC000062791658 181127559 /nfs/dbraw/zinc/12/75/59/181127559.db2.gz OMYXNQXADGJRNX-UHFFFAOYSA-N 1 0 210.664 1.939 10 30 BDEERO N#Cc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000051869844 181127587 /nfs/dbraw/zinc/12/75/87/181127587.db2.gz OUCDJEDLWFWBET-UHFFFAOYSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000144987416 181132809 /nfs/dbraw/zinc/13/28/09/181132809.db2.gz BWFJEOPYZUBFRM-UHFFFAOYSA-N 1 0 214.268 1.572 10 30 BDEERO N#Cc1ccccc1NC[C@H]1CCC[NH2+]1 ZINC000053255012 181147839 /nfs/dbraw/zinc/14/78/39/181147839.db2.gz NROCDWOOALOSNX-LLVKDONJSA-N 1 0 201.273 1.722 10 30 BDEERO N#Cc1cccnc1OCCC1CC[NH2+]CC1 ZINC000095072081 181153985 /nfs/dbraw/zinc/15/39/85/181153985.db2.gz BSMSOHBCBKVGOL-UHFFFAOYSA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1ccsc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000040429202 181161915 /nfs/dbraw/zinc/16/19/15/181161915.db2.gz HSAPACUFRGCXDI-MRVPVSSYSA-N 1 0 221.285 1.310 10 30 BDEERO N#Cc1ncccc1C[NH2+]C[C@H]1CCCO1 ZINC000061657125 181170312 /nfs/dbraw/zinc/17/03/12/181170312.db2.gz YWLVSORCNBTRPL-LLVKDONJSA-N 1 0 217.272 1.222 10 30 BDEERO N#Cc1ncccc1CNCC[NH+]1CCCC1 ZINC000061658933 181170710 /nfs/dbraw/zinc/17/07/10/181170710.db2.gz JMDFZKMTKSORBQ-UHFFFAOYSA-N 1 0 230.315 1.139 10 30 BDEERO C[NH+](C)[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000399082805 355273578 /nfs/dbraw/zinc/27/35/78/355273578.db2.gz SNIKTGKGHWFRQH-HNNXBMFYSA-N 1 0 243.354 1.889 10 30 BDEERO C=C(Br)CN1CC[NH2+][C@](C)(CC)C1 ZINC000168389350 355721953 /nfs/dbraw/zinc/72/19/53/355721953.db2.gz MEZBYBYHBRZYAH-SNVBAGLBSA-N 1 0 247.180 1.969 10 30 BDEERO CCC[C@H](C(=O)N1CCC(C#N)CC1)[NH+](C)C ZINC000126537005 324702869 /nfs/dbraw/zinc/70/28/69/324702869.db2.gz IPJBGGCRMJSMBH-GFCCVEGCSA-N 1 0 237.347 1.479 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000390424806 356512282 /nfs/dbraw/zinc/51/22/82/356512282.db2.gz LSSSKBVYILZCQB-GHMZBOCLSA-N 1 0 223.320 1.279 10 30 BDEERO C[NH+](C)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000088259511 356644954 /nfs/dbraw/zinc/64/49/54/356644954.db2.gz FVGLGFSXWPLKPS-LLVKDONJSA-N 1 0 207.321 1.316 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ncn1 ZINC000385158890 356912958 /nfs/dbraw/zinc/91/29/58/356912958.db2.gz FZKCZFOWQSDFGE-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300024302 357172585 /nfs/dbraw/zinc/17/25/85/357172585.db2.gz FOZYIXUFUYLTEX-HXFLIBJXSA-N 1 0 201.360 1.573 10 30 BDEERO C[C@@H]1C(=O)NCCC[N@H+]1CCCC(C)(C)C#N ZINC000189298145 357627486 /nfs/dbraw/zinc/62/74/86/357627486.db2.gz CMWZUEPQKWFGKE-LLVKDONJSA-N 1 0 237.347 1.527 10 30 BDEERO C#C[C@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000685948147 538890033 /nfs/dbraw/zinc/89/00/33/538890033.db2.gz YUBYUTBBLMOSMH-ZDUSSCGKSA-N 1 0 200.285 1.223 10 30 BDEERO C=CC[N@@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000191084231 357748557 /nfs/dbraw/zinc/74/85/57/357748557.db2.gz ZDPFNVZJMFXSSP-LBPRGKRZSA-N 1 0 245.363 1.297 10 30 BDEERO Cc1cc(C)c(C#N)c(NC2CC[NH2+]CC2)n1 ZINC000035672464 358087064 /nfs/dbraw/zinc/08/70/64/358087064.db2.gz NRXQTKBLCRPDDX-UHFFFAOYSA-N 1 0 230.315 1.734 10 30 BDEERO C[NH+](C)CC[C@]1(C#N)Cc2ccccc21 ZINC000584599906 358256547 /nfs/dbraw/zinc/25/65/47/358256547.db2.gz YFQKKCABYBVECZ-CYBMUJFWSA-N 1 0 200.285 1.956 10 30 BDEERO N#Cc1cnc2[nH]ccc2c1N[C@@H]1CCC[NH2+]C1 ZINC000584620172 358286772 /nfs/dbraw/zinc/28/67/72/358286772.db2.gz PWOPLCVDOQVEGK-SNVBAGLBSA-N 1 0 241.298 1.550 10 30 BDEERO N#CCCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000049752506 358699615 /nfs/dbraw/zinc/69/96/15/358699615.db2.gz AEGYHBMIEAIJHM-CYBMUJFWSA-N 1 0 249.358 1.625 10 30 BDEERO N#CCCCN1CCC[N@@H+](C2CC2)CC1 ZINC000061041030 358931152 /nfs/dbraw/zinc/93/11/52/358931152.db2.gz ROJJQVRNVLYAOF-UHFFFAOYSA-N 1 0 207.321 1.460 10 30 BDEERO Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])ccc1C#N ZINC000320775519 359338291 /nfs/dbraw/zinc/33/82/91/359338291.db2.gz ZAJAMPCXVFDGFH-IUCAKERBSA-N 1 0 218.304 1.799 10 30 BDEERO CSC1(C#N)CC[NH+]([C@@H](C)CO)CC1 ZINC000306314369 359594316 /nfs/dbraw/zinc/59/43/16/359594316.db2.gz PPLGAQDLEBWASF-VIFPVBQESA-N 1 0 214.334 1.088 10 30 BDEERO CSC1(C#N)CC[NH+]([C@H](C)CO)CC1 ZINC000306314367 359594064 /nfs/dbraw/zinc/59/40/64/359594064.db2.gz PPLGAQDLEBWASF-SECBINFHSA-N 1 0 214.334 1.088 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000306309553 359590791 /nfs/dbraw/zinc/59/07/91/359590791.db2.gz PFBLRFCYEUYOJH-IVZWLZJFSA-N 1 0 200.713 1.408 10 30 BDEERO C=C([C@@H]([NH3+])c1cncnc1)C(F)(F)F ZINC000306331623 359633415 /nfs/dbraw/zinc/63/34/15/359633415.db2.gz GHTDFFLWCVQGLG-SSDOTTSWSA-N 1 0 203.167 1.595 10 30 BDEERO C[C@@H]1C[C@@H]1NC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083032377 359783840 /nfs/dbraw/zinc/78/38/40/359783840.db2.gz UPNGAOKVSLFKBE-JLLWLGSASA-N 1 0 245.326 1.823 10 30 BDEERO N[NH+]=C(N)Nc1cc(F)cc(Br)c1 ZINC000306621953 361233998 /nfs/dbraw/zinc/23/39/98/361233998.db2.gz CSRPTXZUJSXERB-UHFFFAOYSA-N 1 0 247.071 1.189 10 30 BDEERO C=CCCCN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000158398664 200964225 /nfs/dbraw/zinc/96/42/25/200964225.db2.gz KJHUSADJVRYMEL-QWRGUYRKSA-N 1 0 210.321 1.538 10 30 BDEERO C=C(C)C[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000309935989 491158525 /nfs/dbraw/zinc/15/85/25/491158525.db2.gz ZULYZVDVRHSTFG-ZDUSSCGKSA-N 1 0 221.300 1.894 10 30 BDEERO [NH3+]CC#Cc1ccc(COC[C@H]2CCCO2)cc1 ZINC000049610788 181346084 /nfs/dbraw/zinc/34/60/84/181346084.db2.gz LUAFHUIMEXUQSO-OAHLLOKOSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1CN1CCCC1=O ZINC000049609982 181345627 /nfs/dbraw/zinc/34/56/27/181345627.db2.gz QYGLZOBWNXXWPR-UHFFFAOYSA-N 1 0 246.285 1.258 10 30 BDEERO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037165061 361710303 /nfs/dbraw/zinc/71/03/03/361710303.db2.gz OEXGZCBONPQIRM-UONOGXRCSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000061691986 181346229 /nfs/dbraw/zinc/34/62/29/181346229.db2.gz 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/nfs/dbraw/zinc/58/05/46/369580546.db2.gz TTYIIULKDJIYJN-PWSUYJOCSA-N 1 0 244.342 1.601 10 30 BDEERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)c(C#N)cn1 ZINC000600963871 369581403 /nfs/dbraw/zinc/58/14/03/369581403.db2.gz HONXNLUBYZVUSF-AULYBMBSSA-N 1 0 244.342 1.613 10 30 BDEERO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000602589701 369819981 /nfs/dbraw/zinc/81/99/81/369819981.db2.gz BSZGCXIQUKVECV-MFKMUULPSA-N 1 0 243.310 1.225 10 30 BDEERO CC[C@H]1CN(c2cccc(C#N)n2)CC[C@H]1[NH3+] ZINC000251778373 369960990 /nfs/dbraw/zinc/96/09/90/369960990.db2.gz MYKAIWWGWFUWCI-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO COC[C@@H](C)[NH2+]CCCSCC#N ZINC000308262199 370116995 /nfs/dbraw/zinc/11/69/95/370116995.db2.gz NEVPOWBMQARZMB-SECBINFHSA-N 1 0 202.323 1.258 10 30 BDEERO Cc1cc(C)c(C#N)c(NCC[C@H](C)[NH3+])n1 ZINC000063171611 370138069 /nfs/dbraw/zinc/13/80/69/370138069.db2.gz FQDFFOCFVPVQTB-VIFPVBQESA-N 1 0 218.304 1.719 10 30 BDEERO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309558334 370229281 /nfs/dbraw/zinc/22/92/81/370229281.db2.gz INPGXZHSFXCTIJ-IJLUTSLNSA-N 1 0 221.304 1.323 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccnc(C#N)c1 ZINC000070010615 371001616 /nfs/dbraw/zinc/00/16/16/371001616.db2.gz WFLCZERFIOYWCH-NSHDSACASA-N 1 0 204.277 1.348 10 30 BDEERO C#CC[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228114444 371993090 /nfs/dbraw/zinc/99/30/90/371993090.db2.gz GHKMNUVWDLTRQT-HRDYMLBCSA-N 1 0 201.360 1.574 10 30 BDEERO C#C[C@H]([NH3+])[C@H]1SCCS[C@H]1CC ZINC000228290065 372012426 /nfs/dbraw/zinc/01/24/26/372012426.db2.gz IRKNBIHTZIAIBL-XHNCKOQMSA-N 1 0 201.360 1.574 10 30 BDEERO COC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000229135933 372121181 /nfs/dbraw/zinc/12/11/81/372121181.db2.gz LVOLDGKJEFHXSL-LLVKDONJSA-N 1 0 218.300 1.991 10 30 BDEERO [NH3+]CC1(C(=O)C2=COCC2)CCCCC1 ZINC000307487091 372125852 /nfs/dbraw/zinc/12/58/52/372125852.db2.gz COIHPUYEAMODKP-UHFFFAOYSA-N 1 0 209.289 1.769 10 30 BDEERO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000381145513 373928172 /nfs/dbraw/zinc/92/81/72/373928172.db2.gz NPHFVMCRDFTHQI-MNOVXSKESA-N 1 0 246.376 1.013 10 30 BDEERO CCC[N@H+](CCO)Cc1cccc(C#CCO)c1 ZINC000049614072 169166450 /nfs/dbraw/zinc/16/64/50/169166450.db2.gz JLVDUZCYNWNNJZ-UHFFFAOYSA-N 1 0 247.338 1.235 10 30 BDEERO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C/C(N)=N/O)C1 ZINC000042422569 169311497 /nfs/dbraw/zinc/31/14/97/169311497.db2.gz GZRSKWKYBSXOSK-WDEREUQCSA-N 1 0 243.351 1.402 10 30 BDEERO CCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037570093 169368689 /nfs/dbraw/zinc/36/86/89/169368689.db2.gz XWNYHFDYWMEMSO-GFCCVEGCSA-N 1 0 244.338 1.915 10 30 BDEERO CCC[C@@H]([NH3+])C(=O)N(C)c1cccc(C#N)c1 ZINC000061981003 169386876 /nfs/dbraw/zinc/38/68/76/169386876.db2.gz KHXKTNCXPNLSBI-GFCCVEGCSA-N 1 0 231.299 1.648 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOCC1CC1 ZINC000224390599 134346511 /nfs/dbraw/zinc/34/65/11/134346511.db2.gz OCUNXMUZOVKKHC-NWDGAFQWSA-N 1 0 208.305 1.695 10 30 BDEERO C#CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000248819041 533012368 /nfs/dbraw/zinc/01/23/68/533012368.db2.gz IJEUABQIPNIRPM-STQMWFEESA-N 1 0 234.343 1.485 10 30 BDEERO Cc1ccnc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c1C#N ZINC000135087109 384004848 /nfs/dbraw/zinc/00/48/48/384004848.db2.gz KTLYVXXYUJVXDR-WCQYABFASA-N 1 0 244.342 1.648 10 30 BDEERO C=C(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153064847 384137192 /nfs/dbraw/zinc/13/71/92/384137192.db2.gz QOUXRHQHJIQTPN-CQSZACIVSA-N 1 0 246.354 1.852 10 30 BDEERO Cn1cc([C@H]2CC[N@H+](CCCCC#N)C2)cn1 ZINC000116309992 384126965 /nfs/dbraw/zinc/12/69/65/384126965.db2.gz ZVENUDAMTZPIHT-LBPRGKRZSA-N 1 0 232.331 1.903 10 30 BDEERO CNC(=[NH+]N)c1ccc(Cl)c(F)c1 ZINC000234514684 384195847 /nfs/dbraw/zinc/19/58/47/384195847.db2.gz MFADTNAMQXMRES-UHFFFAOYSA-N 1 0 201.632 1.319 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1ncccc1C#N ZINC000336646084 384245336 /nfs/dbraw/zinc/24/53/36/384245336.db2.gz DQACVNIYENVEMY-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO Cc1nc(N[C@@H](C)CCCC[NH3+])ccc1C#N ZINC000336710181 384252749 /nfs/dbraw/zinc/25/27/49/384252749.db2.gz MYZPRFILSFZWSF-JTQLQIEISA-N 1 0 232.331 1.613 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335587985 384310327 /nfs/dbraw/zinc/31/03/27/384310327.db2.gz DLWMGIPXUNKUHC-ZWNOBZJWSA-N 1 0 248.301 1.900 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335591289 384312213 /nfs/dbraw/zinc/31/22/13/384312213.db2.gz SAVJQXJLJIUSAL-ZWNOBZJWSA-N 1 0 248.301 1.900 10 30 BDEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249856688 384523242 /nfs/dbraw/zinc/52/32/42/384523242.db2.gz QGMSGDGMQNOJQS-MMWGEVLESA-N 1 0 225.336 1.257 10 30 BDEERO C#CCCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000086931147 384719904 /nfs/dbraw/zinc/71/99/04/384719904.db2.gz LYDOVKMFFLSCDT-CHWSQXEVSA-N 1 0 206.333 1.568 10 30 BDEERO Cc1nnc(N[C@H](C)C[C@H](C)[NH3+])c(C#N)c1C ZINC000320767835 384871005 /nfs/dbraw/zinc/87/10/05/384871005.db2.gz CCDIBGKLTSADGE-JGVFFNPUSA-N 1 0 233.319 1.503 10 30 BDEERO Cc1nnc(N[C@@H](C)C[C@H](C)[NH3+])c(C#N)c1C ZINC000320767837 384871780 /nfs/dbraw/zinc/87/17/80/384871780.db2.gz CCDIBGKLTSADGE-YUMQZZPRSA-N 1 0 233.319 1.503 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000320106147 385305738 /nfs/dbraw/zinc/30/57/38/385305738.db2.gz MZHMCEBSMSTKRC-YUMQZZPRSA-N 1 0 249.274 1.399 10 30 BDEERO C[C@@H](C#N)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000407998381 385343922 /nfs/dbraw/zinc/34/39/22/385343922.db2.gz RDGDJCYNMDNUCJ-QWRGUYRKSA-N 1 0 223.320 1.279 10 30 BDEERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C#N)n1 ZINC000308237028 385410056 /nfs/dbraw/zinc/41/00/56/385410056.db2.gz DQWLPMMJYQEUKJ-GDLCADMTSA-N 1 0 242.326 1.435 10 30 BDEERO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309088913 385412030 /nfs/dbraw/zinc/41/20/30/385412030.db2.gz CQIXBTCHFTYFMZ-WDEREUQCSA-N 1 0 210.321 1.941 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)cc(C#N)n1 ZINC000308246029 385413675 /nfs/dbraw/zinc/41/36/75/385413675.db2.gz VASPQLDWMQJIMN-BXKDBHETSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H]([NH2+]CCCSCC#N)[C@H]1CCCO1 ZINC000183092363 385508697 /nfs/dbraw/zinc/50/86/97/385508697.db2.gz WZBCYTGISJRMKF-GHMZBOCLSA-N 1 0 228.361 1.790 10 30 BDEERO C#CC[C@@H]([NH3+])c1ncncc1Br ZINC000307318014 385851434 /nfs/dbraw/zinc/85/14/34/385851434.db2.gz LOFKFNPCDTXQCW-SSDOTTSWSA-N 1 0 226.077 1.262 10 30 BDEERO C#CC[C@H]([NH3+])c1ncsc1Br ZINC000575571603 386143257 /nfs/dbraw/zinc/14/32/57/386143257.db2.gz ZPJYXQMXQLHLOZ-YFKPBYRVSA-N 1 0 231.118 1.929 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cnc(C#N)cn1 ZINC000309422185 386223187 /nfs/dbraw/zinc/22/31/87/386223187.db2.gz HXSISPZQMDVRMA-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO C[NH2+]C[C@@H]1CCCN(c2cc(C)ncc2C#N)C1 ZINC000399010516 386549578 /nfs/dbraw/zinc/54/95/78/386549578.db2.gz XHBQYTFYPFDFDU-LBPRGKRZSA-N 1 0 244.342 1.698 10 30 BDEERO Cc1ccc(C#N)c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246618658 386667261 /nfs/dbraw/zinc/66/72/61/386667261.db2.gz XMCPAKHPEBDCSN-ZDUSSCGKSA-N 1 0 242.326 1.546 10 30 BDEERO C[C@H]1SCC[N@@H+](C(C)(C)C=O)[C@H]1C ZINC000307636943 386961265 /nfs/dbraw/zinc/96/12/65/386961265.db2.gz VLDSRUUQPBWZLO-DTWKUNHWSA-N 1 0 201.335 1.790 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)c(F)c2)CC[NH2+]1 ZINC000211935573 387010746 /nfs/dbraw/zinc/01/07/46/387010746.db2.gz VLDAWSDJWYAPBR-SECBINFHSA-N 1 0 219.263 1.495 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000071139971 387120108 /nfs/dbraw/zinc/12/01/08/387120108.db2.gz CQQYEZJZXJCTGH-LLVKDONJSA-N 1 0 235.331 1.233 10 30 BDEERO CC(C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424071689 387475892 /nfs/dbraw/zinc/47/58/92/387475892.db2.gz BUNGXMGEPFNYBR-UWVGGRQHSA-N 1 0 211.309 1.168 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccc1C#N ZINC000252675109 388658565 /nfs/dbraw/zinc/65/85/65/388658565.db2.gz WVDAVORJHCZPSB-AAEUAGOBSA-N 1 0 242.326 1.626 10 30 BDEERO CN(C[C@H]1CCC[NH2+]C1)c1cc(C#N)ccn1 ZINC000095071079 388757358 /nfs/dbraw/zinc/75/73/58/388757358.db2.gz HIRZKFZXKYBWMG-LBPRGKRZSA-N 1 0 230.315 1.389 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc(F)cc1C#N ZINC000082579455 388728791 /nfs/dbraw/zinc/72/87/91/388728791.db2.gz GQCPNKMSOZBXON-JTQLQIEISA-N 1 0 207.252 1.847 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnc(C#N)cn1 ZINC000094460844 132239034 /nfs/dbraw/zinc/23/90/34/132239034.db2.gz JHMOIYRYRBIYOI-CMPLNLGQSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)[NH2+]1 ZINC000053711710 132363422 /nfs/dbraw/zinc/36/34/22/132363422.db2.gz LVCRRUZVUPADRD-GHMZBOCLSA-N 1 0 215.300 1.745 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000220881162 134316840 /nfs/dbraw/zinc/31/68/40/134316840.db2.gz IUNNDRYMRNYTJX-GRYCIOLGSA-N 1 0 208.305 1.695 10 30 BDEERO N#Cc1cccc(C[N@H+]2CC[C@@H](CCO)C2)c1F ZINC000223546885 134340437 /nfs/dbraw/zinc/34/04/37/134340437.db2.gz WWGFYHKMBZRDOK-NSHDSACASA-N 1 0 248.301 1.902 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCC ZINC000309443639 134429447 /nfs/dbraw/zinc/42/94/47/134429447.db2.gz JFERJDAFLVGIOU-VXGBXAGGSA-N 1 0 224.348 1.847 10 30 BDEERO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000336688104 134902159 /nfs/dbraw/zinc/90/21/59/134902159.db2.gz UVRACSFFSBRYAR-VOAKCMCISA-N 1 0 222.332 1.819 10 30 BDEERO N#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337273396 135008945 /nfs/dbraw/zinc/00/89/45/135008945.db2.gz CRSLVKIMANTPJJ-XQQFMLRXSA-N 1 0 222.332 1.916 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250675837 135058195 /nfs/dbraw/zinc/05/81/95/135058195.db2.gz WPJYXVFTUSSPBU-XUXIUFHCSA-N 1 0 233.359 1.895 10 30 BDEERO CC#CCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252839317 135111747 /nfs/dbraw/zinc/11/17/47/135111747.db2.gz ZVSXWNXWOFGEHB-KGLIPLIRSA-N 1 0 220.360 1.958 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000259242030 135142112 /nfs/dbraw/zinc/14/21/12/135142112.db2.gz PUHVGLDLYRQQIW-NSHDSACASA-N 1 0 205.305 1.070 10 30 BDEERO CC1(C)CN(c2ncccc2C#N)CC[C@H]1[NH3+] ZINC000261542095 135182583 /nfs/dbraw/zinc/18/25/83/135182583.db2.gz BTLQZXWURBNYDV-LLVKDONJSA-N 1 0 230.315 1.517 10 30 BDEERO C[NH+]=C(NCc1nnc(C(C)C)s1)N(C)C ZINC000261723738 135248070 /nfs/dbraw/zinc/24/80/70/135248070.db2.gz IQFVABYJYOGZNF-UHFFFAOYSA-N 1 0 241.364 1.299 10 30 BDEERO Cc1cc(CNC(=[NH2+])NC2CCCC2)nc(C)n1 ZINC000261744155 135249004 /nfs/dbraw/zinc/24/90/04/135249004.db2.gz IUKUAELOSDUBFF-UHFFFAOYSA-N 1 0 247.346 1.440 10 30 BDEERO CC[C@@H]1CN(C(N[C@@H]2C[C@@H]2C)=[NH+]C)CCS1 ZINC000261941834 135265341 /nfs/dbraw/zinc/26/53/41/135265341.db2.gz MVJQKGKDSXLYFM-HBNTYKKESA-N 1 0 241.404 1.798 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCCS1)N[C@@H]1CC1(C)C ZINC000262004153 135271554 /nfs/dbraw/zinc/27/15/54/135271554.db2.gz VERUPYKJDSKFBF-VHSXEESVSA-N 1 0 241.404 1.846 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NCc1ccc2cc[nH]c2n1 ZINC000262349386 135294330 /nfs/dbraw/zinc/29/43/30/135294330.db2.gz FLFZFLLUPFIATB-VIFPVBQESA-N 1 0 245.330 1.766 10 30 BDEERO [NH2+]=C(NCC1(C(F)F)CC1)NC1CCCC1 ZINC000262362932 135296717 /nfs/dbraw/zinc/29/67/17/135296717.db2.gz KRDMJDOOAUGACB-UHFFFAOYSA-N 1 0 231.290 1.879 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262455520 135300228 /nfs/dbraw/zinc/30/02/28/135300228.db2.gz WSJQPKDIKHKDGF-LLVKDONJSA-N 1 0 249.289 1.740 10 30 BDEERO [NH2+]=C(NC[C@@H]1CCC[C@H]1O)N1CCCCCC1 ZINC000262530415 135303737 /nfs/dbraw/zinc/30/37/37/135303737.db2.gz PKVJJKHWYPWRHJ-NWDGAFQWSA-N 1 0 239.363 1.338 10 30 BDEERO CN1CC[NH+]=C1NCc1nccc2ccccc21 ZINC000262665873 135311933 /nfs/dbraw/zinc/31/19/33/135311933.db2.gz ORUFBYZATNKLLG-UHFFFAOYSA-N 1 0 240.310 1.626 10 30 BDEERO [NH2+]=C(NC[C@H]1CCCC(=O)N1)Nc1ccccc1 ZINC000262751629 135316737 /nfs/dbraw/zinc/31/67/37/135316737.db2.gz KAEFBMXSCAKEAO-LLVKDONJSA-N 1 0 246.314 1.082 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)NC1CCCC1 ZINC000262949296 135325071 /nfs/dbraw/zinc/32/50/71/135325071.db2.gz BLLYMALSANJTKW-SNVBAGLBSA-N 1 0 209.337 1.893 10 30 BDEERO C[NH+]=C(N[C@H]1CC1(C)C)NC1CCCC1 ZINC000262949291 135325153 /nfs/dbraw/zinc/32/51/53/135325153.db2.gz BLLYMALSANJTKW-JTQLQIEISA-N 1 0 209.337 1.893 10 30 BDEERO CN1CCC[NH+]=C1N[C@@H]1COc2ccc(F)cc21 ZINC000263054057 135329876 /nfs/dbraw/zinc/32/98/76/135329876.db2.gz DUJCQRPUXYPIDP-LLVKDONJSA-N 1 0 249.289 1.540 10 30 BDEERO N#Cc1ccc(CNC(=[NH2+])NC2CC2)s1 ZINC000263214429 135340086 /nfs/dbraw/zinc/34/00/86/135340086.db2.gz ZQKACORIDXUVEF-UHFFFAOYSA-N 1 0 220.301 1.186 10 30 BDEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000079817250 135362340 /nfs/dbraw/zinc/36/23/40/135362340.db2.gz RMJZZORKDRGWSC-LLVKDONJSA-N 1 0 225.336 1.778 10 30 BDEERO CCOC(=O)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000081546129 135387618 /nfs/dbraw/zinc/38/76/18/135387618.db2.gz LPJRRPHEEFNGQG-WDEREUQCSA-N 1 0 224.304 1.612 10 30 BDEERO CCOC(=O)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000081546130 135387620 /nfs/dbraw/zinc/38/76/20/135387620.db2.gz LPJRRPHEEFNGQG-QWRGUYRKSA-N 1 0 224.304 1.612 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1nccnc1C#N ZINC000336644899 397948531 /nfs/dbraw/zinc/94/85/31/397948531.db2.gz CPSRLDCTPBMZGX-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO C[C@]1(C#N)CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575478459 397956618 /nfs/dbraw/zinc/95/66/18/397956618.db2.gz GHKVHMUDJNOPRQ-CQSZACIVSA-N 1 0 242.326 1.947 10 30 BDEERO C=C(Br)CSC1=[NH+]CCCN1 ZINC000307494063 398104748 /nfs/dbraw/zinc/10/47/48/398104748.db2.gz ISLAHHGWJTVRIT-UHFFFAOYSA-N 1 0 235.150 1.978 10 30 BDEERO C#CCC[NH2+]C[C@@H](c1cccc(OC)c1)N(C)C ZINC000070160800 166148107 /nfs/dbraw/zinc/14/81/07/166148107.db2.gz XUCASDRCKGVHTN-HNNXBMFYSA-N 1 0 246.354 1.911 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCc2c1cccc2O ZINC000013492321 166161361 /nfs/dbraw/zinc/16/13/61/166161361.db2.gz CVBIGHLFBOZQTD-LBPRGKRZSA-N 1 0 201.269 1.945 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000053500291 166188077 /nfs/dbraw/zinc/18/80/77/166188077.db2.gz KXTRMIVLGPFWRC-LLVKDONJSA-N 1 0 241.298 1.124 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1nc(C)c(C)c1C ZINC000053540242 166188868 /nfs/dbraw/zinc/18/88/68/166188868.db2.gz XSNRJOBPDDPHNL-VIFPVBQESA-N 1 0 205.305 1.592 10 30 BDEERO C#CC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000019875532 166192754 /nfs/dbraw/zinc/19/27/54/166192754.db2.gz IBYXTVVIJQYYNS-LLVKDONJSA-N 1 0 231.295 1.959 10 30 BDEERO C#CCOc1cc(C[C@H]([NH3+])CC)ccc1OC ZINC000037728247 166197807 /nfs/dbraw/zinc/19/78/07/166197807.db2.gz JPCGYNQUCBSVPE-GFCCVEGCSA-N 1 0 233.311 1.987 10 30 BDEERO C=CCCCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000158814606 166233306 /nfs/dbraw/zinc/23/33/06/166233306.db2.gz HOUYTJXKLHECHD-QWRGUYRKSA-N 1 0 210.321 1.267 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000037817633 166310407 /nfs/dbraw/zinc/31/04/07/166310407.db2.gz RPROAZOODISLCU-GFCCVEGCSA-N 1 0 236.359 1.943 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000035180610 166382027 /nfs/dbraw/zinc/38/20/27/166382027.db2.gz JYVILIIJQQZTAC-BXUZGUMPSA-N 1 0 244.338 1.954 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000048777063 166382690 /nfs/dbraw/zinc/38/26/90/166382690.db2.gz RANSZIRNRRIXBK-GFCCVEGCSA-N 1 0 248.326 1.346 10 30 BDEERO CCC(C)(C)NC(=O)[C@@H](C)N(C)[C@@H](C)CC#N ZINC000063095583 168293789 /nfs/dbraw/zinc/29/37/89/168293789.db2.gz JTHUCAPXKGCQSL-WDEREUQCSA-N 1 0 239.363 1.914 10 30 BDEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000659332078 411395327 /nfs/dbraw/zinc/39/53/27/411395327.db2.gz XWTOTTHPSWMIBE-IJLUTSLNSA-N 1 0 224.348 1.845 10 30 BDEERO CCN(c1cccc(F)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071314438 169943312 /nfs/dbraw/zinc/94/33/12/169943312.db2.gz YSBDKHGUKKNKAC-SNVBAGLBSA-N 1 0 233.290 1.886 10 30 BDEERO CC[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000042874543 170125168 /nfs/dbraw/zinc/12/51/68/170125168.db2.gz LOJSEKMWLXLLIR-UHFFFAOYSA-N 1 0 234.255 1.427 10 30 BDEERO CC[NH2+][C@H](C)c1ccccc1-n1cnc(C#N)n1 ZINC000061842287 170160132 /nfs/dbraw/zinc/16/01/32/170160132.db2.gz VNKNAMDNPHPWRS-SNVBAGLBSA-N 1 0 241.298 1.809 10 30 BDEERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C#N)c1 ZINC000037748656 170777237 /nfs/dbraw/zinc/77/72/37/170777237.db2.gz CIASJVKNBGTQMC-ZWNOBZJWSA-N 1 0 245.326 1.548 10 30 BDEERO CC[C@H](CC#N)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000054179863 171418655 /nfs/dbraw/zinc/41/86/55/171418655.db2.gz QMYCQJXFSALVKV-VXGBXAGGSA-N 1 0 237.347 1.575 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662631427 412250372 /nfs/dbraw/zinc/25/03/72/412250372.db2.gz SXSGRIFTAWSMMX-JHJVBQTASA-N 1 0 236.359 1.929 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@H]([NH3+])CCC)C1 ZINC000662634702 412250925 /nfs/dbraw/zinc/25/09/25/412250925.db2.gz IFZMOCKZIYIAOQ-NWDGAFQWSA-N 1 0 224.348 1.929 10 30 BDEERO C=CCN(C(=O)[C@H]([NH3+])CCC)[C@@H](C)COC ZINC000662855971 412325274 /nfs/dbraw/zinc/32/52/74/412325274.db2.gz XKXYDEDXKGCSMI-WDEREUQCSA-N 1 0 228.336 1.163 10 30 BDEERO CN(C)C(=[NH2+])NC(N)=NSC1CCCCC1 ZINC000042963719 172349687 /nfs/dbraw/zinc/34/96/87/172349687.db2.gz DMVXKZHKPIBUAT-UHFFFAOYSA-N 1 0 243.380 1.158 10 30 BDEERO C[N@H+](Cc1ccccc1)C[C@]1(C=O)CCOC1 ZINC000051175715 172871553 /nfs/dbraw/zinc/87/15/53/172871553.db2.gz XNPOMQBEPIIOOK-AWEZNQCLSA-N 1 0 233.311 1.724 10 30 BDEERO CN(c1ncccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000082500109 172954208 /nfs/dbraw/zinc/95/42/08/172954208.db2.gz KURKYDMGCIKVSF-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO C[N@@H+]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC000037647458 173118494 /nfs/dbraw/zinc/11/84/94/173118494.db2.gz WLIJKLWSIVINRT-LBPRGKRZSA-N 1 0 229.327 1.600 10 30 BDEERO CN1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000042545615 173123807 /nfs/dbraw/zinc/12/38/07/173123807.db2.gz JHWFULAIBYRIER-CYBMUJFWSA-N 1 0 245.326 1.383 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(N)cc2C#N)C1 ZINC000042545212 173125261 /nfs/dbraw/zinc/12/52/61/173125261.db2.gz GWEPBJBYJXJIOD-LLVKDONJSA-N 1 0 216.288 1.256 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000049086214 173154660 /nfs/dbraw/zinc/15/46/60/173154660.db2.gz OKCVJGXQTISLSL-JTQLQIEISA-N 1 0 219.263 1.813 10 30 BDEERO C[N@H+]1[C@@H]2CC[C@H]1CC(C#N)(NC[C@@H]1CCCO1)C2 ZINC000037939811 173207001 /nfs/dbraw/zinc/20/70/01/173207001.db2.gz JZXRCJOKMYEBIX-WJLOJVBCSA-N 1 0 249.358 1.274 10 30 BDEERO C[NH2+]CCCCC(=O)N(C)c1cccc(C#N)c1 ZINC000077399320 173344937 /nfs/dbraw/zinc/34/49/37/173344937.db2.gz FWGWOFLQMLTJHK-UHFFFAOYSA-N 1 0 245.326 1.911 10 30 BDEERO C[NH2+]C[C@H](C)Oc1nc(C)cc(C)c1C#N ZINC000051867151 173376013 /nfs/dbraw/zinc/37/60/13/173376013.db2.gz KVMOTNSVJOXSDV-JTQLQIEISA-N 1 0 219.288 1.557 10 30 BDEERO COCCCN(CCOC)[C@H](C)CC#N ZINC000042422192 174226121 /nfs/dbraw/zinc/22/61/21/174226121.db2.gz NKAONPVYWUIZRH-LLVKDONJSA-N 1 0 214.309 1.273 10 30 BDEERO COCCCOc1ccc(F)cc1C#CC[NH3+] ZINC000037754259 174257144 /nfs/dbraw/zinc/25/71/44/174257144.db2.gz JAWOHMDGPXKSIB-UHFFFAOYSA-N 1 0 237.274 1.551 10 30 BDEERO COCCNC(=[NH+]N)c1ccc2ccccc2c1 ZINC000053293597 174303737 /nfs/dbraw/zinc/30/37/37/174303737.db2.gz KQHSATBCUCLWSG-UHFFFAOYSA-N 1 0 243.310 1.696 10 30 BDEERO COc1ccc(CCC(C)N=NC(N)=[NH2+])cc1 ZINC000095938695 175088145 /nfs/dbraw/zinc/08/81/45/175088145.db2.gz JWJCYOLXSRBLKK-DHDCSXOGSA-N 1 0 234.303 1.487 10 30 BDEERO COc1ccccc1[C@@H](C#N)NCC[NH+](C)C ZINC000019989713 175343859 /nfs/dbraw/zinc/34/38/59/175343859.db2.gz OTGXMKVKVFEBMP-GFCCVEGCSA-N 1 0 233.315 1.411 10 30 BDEERO C[C@@H]1CCC(=O)N1CC#CC[NH+]1CCCC1 ZINC000013448098 176061947 /nfs/dbraw/zinc/06/19/47/176061947.db2.gz BZCOASIWPFVBQZ-GFCCVEGCSA-N 1 0 220.316 1.097 10 30 BDEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042428743 176222212 /nfs/dbraw/zinc/22/22/12/176222212.db2.gz DTQYZLFDMSLLAP-WISYIIOYSA-N 1 0 235.331 1.264 10 30 BDEERO C[C@@H]1C[NH2+]CCN1CCOc1ccc(C#N)cc1 ZINC000054372608 176327322 /nfs/dbraw/zinc/32/73/22/176327322.db2.gz HNSSGHJNUZKUHL-GFCCVEGCSA-N 1 0 245.326 1.231 10 30 BDEERO C[C@H]([NH3+])CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037476114 176756437 /nfs/dbraw/zinc/75/64/37/176756437.db2.gz USELFGFMOIBJKS-ZETCQYMHSA-N 1 0 237.690 1.887 10 30 BDEERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062113597 176814230 /nfs/dbraw/zinc/81/42/30/176814230.db2.gz WVWALGKUEIRYAS-GWCFXTLKSA-N 1 0 243.310 1.345 10 30 BDEERO C[C@H]1CCC[C@H](C)[NH+]1CCC/C(N)=N/O ZINC000019519632 177131239 /nfs/dbraw/zinc/13/12/39/177131239.db2.gz KHZPYQKIQZHQSN-UWVGGRQHSA-N 1 0 213.325 1.776 10 30 BDEERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000020055274 177137268 /nfs/dbraw/zinc/13/72/68/177137268.db2.gz FSEAOGZZJSNRAM-AXFHLTTASA-N 1 0 223.320 1.040 10 30 BDEERO C[C@H]1CN(c2cccnc2C#N)C[C@H]1[NH+](C)C ZINC000251825682 177276979 /nfs/dbraw/zinc/27/69/79/177276979.db2.gz PFECSOUAEOMHAC-GXFFZTMASA-N 1 0 230.315 1.340 10 30 BDEERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C#N)n1 ZINC000308245552 323159547 /nfs/dbraw/zinc/15/95/47/323159547.db2.gz RTKWMAPVDSITBE-RISCZKNCSA-N 1 0 242.326 1.450 10 30 BDEERO C=CCN(C(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000131273913 325133587 /nfs/dbraw/zinc/13/35/87/325133587.db2.gz QIJDFAPUJUDPRC-LBPRGKRZSA-N 1 0 208.305 1.306 10 30 BDEERO C=C(C)COCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000155637140 326204970 /nfs/dbraw/zinc/20/49/70/326204970.db2.gz KBMLHWQWZDHBTM-LBPRGKRZSA-N 1 0 242.363 1.426 10 30 BDEERO C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000394453899 487538094 /nfs/dbraw/zinc/53/80/94/487538094.db2.gz IGCWNZQKILTRQE-JGVFFNPUSA-N 1 0 234.259 1.614 10 30 BDEERO CC[NH2+]CCCNc1cccc(C#N)n1 ZINC000081596705 490285096 /nfs/dbraw/zinc/28/50/96/490285096.db2.gz UJHHVIRYFGRHPP-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO CCCCCCCCC(=O)NCCOCC[NH3+] ZINC000115066668 519972884 /nfs/dbraw/zinc/97/28/84/519972884.db2.gz DJOYKQMOKNDMKD-UHFFFAOYSA-N 1 0 244.379 1.829 10 30 BDEERO CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[C@@H](CO)C1 ZINC000262342969 534662033 /nfs/dbraw/zinc/66/20/33/534662033.db2.gz YXZTWEKIMQSLAU-WDEREUQCSA-N 1 0 241.379 1.488 10 30 BDEERO CC(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000261983840 535125850 /nfs/dbraw/zinc/12/58/50/535125850.db2.gz JGUKLMOHLQQNLF-NEPJUHHUSA-N 1 0 235.306 1.994 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[C@@H]1C ZINC000262811369 535262979 /nfs/dbraw/zinc/26/29/79/535262979.db2.gz VFXAIBFWOGASOQ-YFKTTZPYSA-N 1 0 239.363 1.111 10 30 BDEERO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)C(=O)OC ZINC000249930266 535763520 /nfs/dbraw/zinc/76/35/20/535763520.db2.gz DKIFMPLWRZZBHI-UWVGGRQHSA-N 1 0 212.293 1.277 10 30 BDEERO C[NH2+][C@H](C)CNc1nccc(C#N)c1Cl ZINC000261536615 536404747 /nfs/dbraw/zinc/40/47/47/536404747.db2.gz SDROPKJIUYTKLD-SSDOTTSWSA-N 1 0 224.695 1.626 10 30 BDEERO C[NH2+]CCN(C)c1nc(Cl)c(C#N)s1 ZINC000234374462 631473757 /nfs/dbraw/zinc/47/37/57/631473757.db2.gz UWACICOZXQHRSR-UHFFFAOYSA-N 1 0 230.724 1.324 10 30 BDEERO Cc1cc(C#N)cc(N(C)C[C@H](C)[NH3+])n1 ZINC000308811697 631666249 /nfs/dbraw/zinc/66/62/49/631666249.db2.gz CPJNRFAXOGKTGO-QMMMGPOBSA-N 1 0 204.277 1.045 10 30 BDEERO COC[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000309668589 632638431 /nfs/dbraw/zinc/63/84/31/632638431.db2.gz VDUWYGOLCPEUIU-SECBINFHSA-N 1 0 222.263 1.822 10 30 BDEERO C[C@H]([NH3+])CN(C)c1c(C#N)nnc2ccccc21 ZINC000311224151 633086388 /nfs/dbraw/zinc/08/63/88/633086388.db2.gz WDRDZCVRYFXLQT-VIFPVBQESA-N 1 0 241.298 1.285 10 30 BDEERO C[C@@H](C[NH3+])c1noc(-c2ccc(C#N)cc2)n1 ZINC000054158687 635775164 /nfs/dbraw/zinc/77/51/64/635775164.db2.gz ACIRMGBLUTZBRL-QMMMGPOBSA-N 1 0 228.255 1.670 10 30 BDEERO C#CCCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000231637421 641190300 /nfs/dbraw/zinc/19/03/00/641190300.db2.gz QHAQWNIWNUELEA-KBPBESRZSA-N 1 0 220.360 1.958 10 30 BDEERO C#CCCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000191963693 641953117 /nfs/dbraw/zinc/95/31/17/641953117.db2.gz NVBDOUCGFMUFPN-CYBMUJFWSA-N 1 0 238.375 1.882 10 30 BDEERO Cc1cc(N(C)C[C@H](C)[NH3+])cc(C#N)n1 ZINC000308236435 642517401 /nfs/dbraw/zinc/51/74/01/642517401.db2.gz CEMGOUSGZLOTEO-QMMMGPOBSA-N 1 0 204.277 1.045 10 30 BDEERO C[S@](=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000252963523 642916360 /nfs/dbraw/zinc/91/63/60/642916360.db2.gz WGLFPHMINOAZDB-BHDSKKPTSA-N 1 0 214.334 1.037 10 30 BDEERO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000306766619 643242999 /nfs/dbraw/zinc/24/29/99/643242999.db2.gz BNARTDHUJKFMJH-DCAQKATOSA-N 1 0 215.724 1.832 10 30 BDEERO C[NH2+][C@H](C)CNc1nc(Cl)c(C#N)s1 ZINC000307700941 643581771 /nfs/dbraw/zinc/58/17/71/643581771.db2.gz QZXOYKUVZURCGP-RXMQYKEDSA-N 1 0 230.724 1.688 10 30 BDEERO CCNC(NCC1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC ZINC000724485665 711584563 /nfs/dbraw/zinc/58/45/63/711584563.db2.gz DUEGQAVKUXNNKJ-FOSCPWQOSA-N 1 0 241.379 1.765 10 30 BDEERO CC1(C)C[NH2+]C[C@@H]1Nc1cc(C#N)ccn1 ZINC000721939285 711943057 /nfs/dbraw/zinc/94/30/57/711943057.db2.gz KMKLJZLOWDZETC-JTQLQIEISA-N 1 0 216.288 1.363 10 30 BDEERO C=CC1CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000706917085 712158145 /nfs/dbraw/zinc/15/81/45/712158145.db2.gz VXUOBRQLTHDWGI-UHFFFAOYSA-N 1 0 208.305 1.148 10 30 BDEERO CN(CCCCCC[NH3+])c1ncccc1C#N ZINC000710781442 712256598 /nfs/dbraw/zinc/25/65/98/712256598.db2.gz NDCSSBXRLYHGTQ-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO C=C(Cl)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711019517 712274827 /nfs/dbraw/zinc/27/48/27/712274827.db2.gz CKCWOVJSSABPRH-NXEZZACHSA-N 1 0 202.729 1.717 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000378680577 712357804 /nfs/dbraw/zinc/35/78/04/712357804.db2.gz VOZQTQZNGLHPQS-GMTAPVOTSA-N 1 0 207.277 1.197 10 30 BDEERO CN1C[C@H](C[NH2+]CC#Cc2ccccc2)CC1=O ZINC000723352113 711508561 /nfs/dbraw/zinc/50/85/61/711508561.db2.gz SRPBKSRFNYKDGI-AWEZNQCLSA-N 1 0 242.322 1.106 10 30 BDEERO N#Cc1c(F)cccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723668714 711533392 /nfs/dbraw/zinc/53/33/92/711533392.db2.gz BBYUUQIKSDTBKT-SNVBAGLBSA-N 1 0 233.290 1.872 10 30 BDEERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1[NH3+] ZINC000235668157 711603807 /nfs/dbraw/zinc/60/38/07/711603807.db2.gz CZFMSPGHBJYNCV-KWQFWETISA-N 1 0 246.270 1.250 10 30 BDEERO C=CC(C)(C)CCNC(=O)C1CC([NH3+])C1 ZINC000701895286 712031883 /nfs/dbraw/zinc/03/18/83/712031883.db2.gz DELWFAKSVAFMES-UHFFFAOYSA-N 1 0 210.321 1.442 10 30 BDEERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1C#N ZINC000708699642 712197769 /nfs/dbraw/zinc/19/77/69/712197769.db2.gz YBMSWYTVHVPMSH-DOMZBBRYSA-N 1 0 244.338 1.927 10 30 BDEERO CCC1([NH3+])CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000714752461 712497341 /nfs/dbraw/zinc/49/73/41/712497341.db2.gz SFYRXHXAFAOXKS-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1ccc(C#N)c(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715134813 712514387 /nfs/dbraw/zinc/51/43/87/712514387.db2.gz RNKNPOSQFIQAEU-HOMQSWHASA-N 1 0 216.288 1.411 10 30 BDEERO C=CCC1(O)CC[NH+](CC2CC(OC)C2)CC1 ZINC000717451555 712658745 /nfs/dbraw/zinc/65/87/45/712658745.db2.gz PLTWBEMDYQTOMQ-UHFFFAOYSA-N 1 0 239.359 1.814 10 30 BDEERO C[NH2+]CCN(c1cc(C#N)cc(C)n1)C(C)C ZINC000720775491 712864926 /nfs/dbraw/zinc/86/49/26/712864926.db2.gz HBCLKFPLLPLFKD-UHFFFAOYSA-N 1 0 232.331 1.696 10 30 BDEERO C[NH2+]CCN(c1nccc(C)c1C#N)C(C)C ZINC000720824013 712867878 /nfs/dbraw/zinc/86/78/78/712867878.db2.gz OUDFHPDPDUPOQI-UHFFFAOYSA-N 1 0 232.331 1.696 10 30 BDEERO CC1(C)CN(c2ccc(F)cc2C#N)C[C@@H]1[NH3+] ZINC000720815602 712868234 /nfs/dbraw/zinc/86/82/34/712868234.db2.gz GCZXUESPEPGWNR-LBPRGKRZSA-N 1 0 233.290 1.871 10 30 BDEERO Cc1ccc(C#N)c(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721092253 712890458 /nfs/dbraw/zinc/89/04/58/712890458.db2.gz ABFBHKNGLSJEGR-ZWNOBZJWSA-N 1 0 244.342 1.919 10 30 BDEERO C[N+](C)(C)CC(=O)CC(=O)Nc1ccccc1 ZINC000033608421 717121452 /nfs/dbraw/zinc/12/14/52/717121452.db2.gz IOGDMVHANLGZPH-UHFFFAOYSA-O 1 0 235.307 1.291 10 30 BDEERO C=CCN(CC(F)(F)CNC)C1CC1 ZINC000685957640 538904691 /nfs/dbraw/zinc/90/46/91/538904691.db2.gz WIHURNSJTQUIMP-UHFFFAOYSA-N 1 0 204.264 1.492 10 30 BDEERO CC#CCC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961435 538908399 /nfs/dbraw/zinc/90/83/99/538908399.db2.gz IAPROLPLQQNQJC-AWEZNQCLSA-N 1 0 244.338 1.428 10 30 BDEERO N#CCCCC[N@@H+]1CCC[C@]12CCOC2 ZINC000308959224 136217232 /nfs/dbraw/zinc/21/72/32/136217232.db2.gz FLBQATKQZKSBNN-GFCCVEGCSA-N 1 0 208.305 1.935 10 30 BDEERO CC[C@@H]([NH3+])CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214667756 343980962 /nfs/dbraw/zinc/98/09/62/343980962.db2.gz CFWYIVXXIOVYTA-MRVPVSSYSA-N 1 0 235.247 1.011 10 30 BDEERO Cc1cc(F)ccc1[C@@H](C#N)NCC[NH+](C)C ZINC000050579542 178091986 /nfs/dbraw/zinc/09/19/86/178091986.db2.gz LTWGBGMPBFDJSE-CYBMUJFWSA-N 1 0 235.306 1.850 10 30 BDEERO C=C(Cl)C[NH+]1CCC2(CCO2)CC1 ZINC000307387895 136222144 /nfs/dbraw/zinc/22/21/44/136222144.db2.gz NIFCGLGTJLAIAD-UHFFFAOYSA-N 1 0 201.697 1.994 10 30 BDEERO Cc1cc([C@H](C#N)NCC[NH+](C)C)cc(C)c1O ZINC000037940821 178244293 /nfs/dbraw/zinc/24/42/93/178244293.db2.gz VNHJYEMYEBGFIG-ZDUSSCGKSA-N 1 0 247.342 1.725 10 30 BDEERO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000398999669 398247865 /nfs/dbraw/zinc/24/78/65/398247865.db2.gz RLBQSRYBYNAMHW-RYUDHWBXSA-N 1 0 244.342 1.484 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000051581445 178363357 /nfs/dbraw/zinc/36/33/57/178363357.db2.gz NBELHCJCDFKJDM-NSHDSACASA-N 1 0 215.300 1.652 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[NH2+]C2)c1 ZINC000052093976 178366091 /nfs/dbraw/zinc/36/60/91/178366091.db2.gz HPQKCEDSQWMHHR-LLVKDONJSA-N 1 0 201.273 1.641 10 30 BDEERO C[NH2+]C[C@H]1CCN(c2cc(C)ncc2C#N)C1 ZINC000399080645 398282820 /nfs/dbraw/zinc/28/28/20/398282820.db2.gz RQNHEMFOWOEFPW-LLVKDONJSA-N 1 0 230.315 1.307 10 30 BDEERO CNC(=[NH+]N)c1cc(F)cc(Br)c1 ZINC000042035398 361927743 /nfs/dbraw/zinc/92/77/43/361927743.db2.gz DCMIFLLADXDKPD-UHFFFAOYSA-N 1 0 246.083 1.428 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000134543139 342863545 /nfs/dbraw/zinc/86/35/45/342863545.db2.gz KFRYHRDZESNMCN-BXKDBHETSA-N 1 0 217.272 1.220 10 30 BDEERO C=C1CC[C@@H](c2ccc(NC(N)=[NH2+])cc2)C(=O)O1 ZINC000013651060 343099874 /nfs/dbraw/zinc/09/98/74/343099874.db2.gz UCIPPKQPIFRDRV-NSHDSACASA-N 1 0 245.282 1.926 10 30 BDEERO C[C@H](CC#N)N1CCC(C[NH+](C)C)CC1 ZINC000042393707 136272627 /nfs/dbraw/zinc/27/26/27/136272627.db2.gz XZLSCNSFUQVDHD-LLVKDONJSA-N 1 0 209.337 1.562 10 30 BDEERO CC(C)(C)C#CCC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000300751558 343338442 /nfs/dbraw/zinc/33/84/42/343338442.db2.gz LGYKNGDFMXRNHS-QWRGUYRKSA-N 1 0 205.301 1.899 10 30 BDEERO C=C(Br)CN[C@H]1CC[NH2+]CC1(C)C ZINC000300821852 343401365 /nfs/dbraw/zinc/40/13/65/343401365.db2.gz IWTHELSXVJNWLB-VIFPVBQESA-N 1 0 247.180 1.873 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2ncncc2C#N)C1 ZINC000310320147 343424419 /nfs/dbraw/zinc/42/44/19/343424419.db2.gz UKVFUGOYKUUVQZ-LLVKDONJSA-N 1 0 231.303 1.244 10 30 BDEERO C=C(C)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910317 136363864 /nfs/dbraw/zinc/36/38/64/136363864.db2.gz PPNCCPIQVNUWTO-UHFFFAOYSA-N 1 0 246.358 1.953 10 30 BDEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cc3)C[C@H]21 ZINC000471686524 529786603 /nfs/dbraw/zinc/78/66/03/529786603.db2.gz GCXBDGBTTFVFSM-ZIAGYGMSSA-N 1 0 243.310 1.077 10 30 BDEERO CC[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679374 343698675 /nfs/dbraw/zinc/69/86/75/343698675.db2.gz STURMQHLZXQBDU-UHFFFAOYSA-N 1 0 209.314 1.544 10 30 BDEERO C=C(C)CNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000187897810 259370451 /nfs/dbraw/zinc/37/04/51/259370451.db2.gz WAFFQGUEQLPVKQ-NSHDSACASA-N 1 0 225.336 1.346 10 30 BDEERO C[C@@](C#N)(Cc1ccccc1)N1CC(C[NH3+])C1 ZINC000409438948 343845986 /nfs/dbraw/zinc/84/59/86/343845986.db2.gz FDKJEHQNJKUUIA-AWEZNQCLSA-N 1 0 229.327 1.402 10 30 BDEERO C=C(Br)CN1CCC[C@H]([NH3+])[C@H]1C ZINC000307594032 343939848 /nfs/dbraw/zinc/93/98/48/343939848.db2.gz JSRXNHDGGXZJPD-BDAKNGLRSA-N 1 0 233.153 1.707 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cc(C#N)ncn1 ZINC000393784071 343927989 /nfs/dbraw/zinc/92/79/89/343927989.db2.gz VUIUGXGTZSYQDW-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000251471012 343934107 /nfs/dbraw/zinc/93/41/07/343934107.db2.gz VUSWIWWVLULESZ-SRVKXCTJSA-N 1 0 208.305 1.837 10 30 BDEERO C#CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128514324 344206367 /nfs/dbraw/zinc/20/63/67/344206367.db2.gz VTAPDFPNLAXOEU-RYUDHWBXSA-N 1 0 203.289 1.590 10 30 BDEERO Cc1ccc(N2CCn3ccnc3C2)nc1C#N ZINC000408268095 344401921 /nfs/dbraw/zinc/40/19/21/344401921.db2.gz JFTBNPOOCLEOBA-UHFFFAOYSA-N 1 0 239.282 1.478 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCO1 ZINC000054825173 344456935 /nfs/dbraw/zinc/45/69/35/344456935.db2.gz RJJUJLLLRSWDCI-QCNOEVLYSA-N 1 0 208.305 1.836 10 30 BDEERO N#Cc1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000380957985 344461087 /nfs/dbraw/zinc/46/10/87/344461087.db2.gz SCGUAJRPWWMFBX-TXEJJXNPSA-N 1 0 242.326 1.389 10 30 BDEERO Cn1ccnc1CC1CCN(C(=O)CC#N)CC1 ZINC000408318517 344491028 /nfs/dbraw/zinc/49/10/28/344491028.db2.gz CYJUWXSWVUSIFW-UHFFFAOYSA-N 1 0 246.314 1.115 10 30 BDEERO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2/C(N)=N/O)O1 ZINC000300028598 344516470 /nfs/dbraw/zinc/51/64/70/344516470.db2.gz JKDIPJIXPWAIQG-MXWKQRLJSA-N 1 0 241.335 1.155 10 30 BDEERO CN1CCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000260065211 344703834 /nfs/dbraw/zinc/70/38/34/344703834.db2.gz OOMUOCPRYGUVTD-ZDUSSCGKSA-N 1 0 221.348 1.706 10 30 BDEERO C#C[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000166514222 344918192 /nfs/dbraw/zinc/91/81/92/344918192.db2.gz LGBGZTTYJCUAJM-VIFPVBQESA-N 1 0 212.293 1.122 10 30 BDEERO C=CCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159054037 345403584 /nfs/dbraw/zinc/40/35/84/345403584.db2.gz NSJJMBQCWMJLLC-RYUDHWBXSA-N 1 0 224.348 1.798 10 30 BDEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300383351 345809452 /nfs/dbraw/zinc/80/94/52/345809452.db2.gz OWOUPIUTUHXUJH-NNYUYHANSA-N 1 0 208.305 1.693 10 30 BDEERO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000235953367 346175066 /nfs/dbraw/zinc/17/50/66/346175066.db2.gz NRENPVLVXXDWQU-CHWSQXEVSA-N 1 0 232.331 1.864 10 30 BDEERO N#Cc1ccc(NC[C@@H]2COCC[NH2+]2)c(F)c1 ZINC000236162416 346204114 /nfs/dbraw/zinc/20/41/14/346204114.db2.gz URYPHWXRXOORCG-SNVBAGLBSA-N 1 0 235.262 1.098 10 30 BDEERO CNC(=[NH+]N)N(C)Cc1ccc(Cl)s1 ZINC000164665732 346615575 /nfs/dbraw/zinc/61/55/75/346615575.db2.gz YQYIAENCCKEHLN-UHFFFAOYSA-N 1 0 232.740 1.282 10 30 BDEERO CC[C@H]1CN(c2ccc(C#N)nc2)CC[C@H]1[NH3+] ZINC000252697110 346777947 /nfs/dbraw/zinc/77/79/47/346777947.db2.gz FLYNAVLBWRTBDV-GXFFZTMASA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H](Nc1cncc(C#N)n1)[C@H]1CCC[NH2+]C1 ZINC000401505130 346752532 /nfs/dbraw/zinc/75/25/32/346752532.db2.gz JNCQRNXKGQHWBI-ZJUUUORDSA-N 1 0 231.303 1.148 10 30 BDEERO C=C(CC)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309738180 347150405 /nfs/dbraw/zinc/15/04/05/347150405.db2.gz CTCQPUWZUHBTSB-NSHDSACASA-N 1 0 222.332 1.744 10 30 BDEERO C=CCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309732294 347151264 /nfs/dbraw/zinc/15/12/64/347151264.db2.gz FMLPYFKSQHVLQV-TUAOUCFPSA-N 1 0 224.348 1.988 10 30 BDEERO C=C(Br)CN1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000299894266 347247168 /nfs/dbraw/zinc/24/71/68/347247168.db2.gz VEUQWDZFMUEAPJ-NXEZZACHSA-N 1 0 245.164 1.579 10 30 BDEERO Cc1cccc([C@H](C[NH3+])N(CC#N)CC#N)c1 ZINC000042965757 179199126 /nfs/dbraw/zinc/19/91/26/179199126.db2.gz MBFWYBYYUILKDN-ZDUSSCGKSA-N 1 0 228.299 1.344 10 30 BDEERO Cc1cccc([C@H]([C@H](C)[NH3+])N(CC#N)CC#N)c1 ZINC000042965765 179203916 /nfs/dbraw/zinc/20/39/16/179203916.db2.gz ULMCLJWIWFSZPT-JSGCOSHPSA-N 1 0 242.326 1.732 10 30 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C=CC[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000638472422 352285164 /nfs/dbraw/zinc/28/51/64/352285164.db2.gz SOYCIGDAOAXFEB-RYUDHWBXSA-N 1 0 222.332 1.411 10 30 BDEERO C=C(Br)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307421213 352590450 /nfs/dbraw/zinc/59/04/50/352590450.db2.gz NSFSDYGKPTWDPO-ZJUUUORDSA-N 1 0 245.164 1.436 10 30 BDEERO CC(C)(C)OC(=O)[C@@]1(C#N)CC12CC[NH2+]CC2 ZINC000725273182 538104656 /nfs/dbraw/zinc/10/46/56/538104656.db2.gz WSGTYSKVMVCNSZ-ZDUSSCGKSA-N 1 0 236.315 1.612 10 30 BDEERO C[C@@H](CC[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000307554348 352648906 /nfs/dbraw/zinc/64/89/06/352648906.db2.gz MMDVPAWFSGVDGN-YFKPBYRVSA-N 1 0 230.724 1.817 10 30 BDEERO C[C@@H](C[NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000420211253 192176012 /nfs/dbraw/zinc/17/60/12/192176012.db2.gz FFSUOFNLZJXELL-JTQLQIEISA-N 1 0 244.342 1.839 10 30 BDEERO N#Cc1cccnc1N[C@H](CC[NH3+])C(F)F ZINC000383431392 352979395 /nfs/dbraw/zinc/97/93/95/352979395.db2.gz CLDBOBXYDYCEHE-MRVPVSSYSA-N 1 0 226.230 1.348 10 30 BDEERO N#Cc1ccc(N[C@H](CC[NH3+])C(F)F)cn1 ZINC000383433363 352979512 /nfs/dbraw/zinc/97/95/12/352979512.db2.gz CWLWJBKXWJRBIM-SECBINFHSA-N 1 0 226.230 1.348 10 30 BDEERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000336753159 353100633 /nfs/dbraw/zinc/10/06/33/353100633.db2.gz DVCJXMJIEXFVGC-AVGNSLFASA-N 1 0 221.348 1.753 10 30 BDEERO N#CCC1(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000398802337 353138814 /nfs/dbraw/zinc/13/88/14/353138814.db2.gz RQIKPZAUHMRFCI-AVGNSLFASA-N 1 0 234.343 1.773 10 30 BDEERO IC#CCn1ccnc1 ZINC000027644819 188233299 /nfs/dbraw/zinc/23/32/99/188233299.db2.gz PAFZKRMLFNJSEK-UHFFFAOYSA-N 1 0 232.024 1.279 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000083364262 188270627 /nfs/dbraw/zinc/27/06/27/188270627.db2.gz NRNSDIBLVOPFGY-NSHDSACASA-N 1 0 236.702 1.307 10 30 BDEERO N#CCCNC(=O)C[NH2+][C@H]1CCc2ccccc21 ZINC000035180625 188285028 /nfs/dbraw/zinc/28/50/28/188285028.db2.gz POPBFOKNXDULTM-ZDUSSCGKSA-N 1 0 243.310 1.293 10 30 BDEERO CSc1ccc([C@@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000034958887 188285038 /nfs/dbraw/zinc/28/50/38/188285038.db2.gz AEARMAFEXVTEBC-CYBMUJFWSA-N 1 0 247.367 1.878 10 30 BDEERO CC(C)(C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000063020779 188304349 /nfs/dbraw/zinc/30/43/49/188304349.db2.gz QPJHGVSMHLSZGP-UHFFFAOYSA-N 1 0 244.342 1.981 10 30 BDEERO C=C(Br)CN1CCC[C@H](C[NH2+]C)C1 ZINC000040601577 188312210 /nfs/dbraw/zinc/31/22/10/188312210.db2.gz DAKIZNRTVZQRLR-SNVBAGLBSA-N 1 0 247.180 1.826 10 30 BDEERO [NH2+]=C(NCc1ccco1)c1ccccn1 ZINC000049109687 188327090 /nfs/dbraw/zinc/32/70/90/188327090.db2.gz RHRBLPXDGPQQMF-UHFFFAOYSA-N 1 0 201.229 1.580 10 30 BDEERO C#Cc1cccc(N[C@@H]2CC[N@@H+](C)C2)c1 ZINC000061984466 188360681 /nfs/dbraw/zinc/36/06/81/188360681.db2.gz JRLBNCTUYAQQJF-CYBMUJFWSA-N 1 0 200.285 1.784 10 30 BDEERO N#Cc1ncccc1N[C@H](CC[NH3+])C(F)F ZINC000383512042 353696565 /nfs/dbraw/zinc/69/65/65/353696565.db2.gz SLILGKHCWORMOU-MRVPVSSYSA-N 1 0 226.230 1.348 10 30 BDEERO N#Cc1ccc(N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000383527545 353877429 /nfs/dbraw/zinc/87/74/29/353877429.db2.gz XZPPRHBPAFHHKF-JTQLQIEISA-N 1 0 225.242 1.953 10 30 BDEERO N#CC1(N2CCC[NH2+]CC2)CCCCC1 ZINC000037940362 181029921 /nfs/dbraw/zinc/02/99/21/181029921.db2.gz YGUXUBKATMBFOH-UHFFFAOYSA-N 1 0 207.321 1.508 10 30 BDEERO N#CCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000042251537 181036055 /nfs/dbraw/zinc/03/60/55/181036055.db2.gz OGWGFOMLYYEJRU-NEPJUHHUSA-N 1 0 208.305 1.934 10 30 BDEERO N#CCCN(C1CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042548424 181037460 /nfs/dbraw/zinc/03/74/60/181037460.db2.gz COIBSVFVJDMVED-RYUDHWBXSA-N 1 0 207.321 1.634 10 30 BDEERO N#CCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000075415856 181050760 /nfs/dbraw/zinc/05/07/60/181050760.db2.gz GYOBMRKPLYAFQD-UHFFFAOYSA-N 1 0 206.636 1.795 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000054825560 181059670 /nfs/dbraw/zinc/05/96/70/181059670.db2.gz JCSXOAQKYAKYJA-STQMWFEESA-N 1 0 215.300 1.906 10 30 BDEERO 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N#Cc1ccc(CSC2=[NH+]CCN2)c(F)c1 ZINC000012811930 181111085 /nfs/dbraw/zinc/11/10/85/181111085.db2.gz HYVUWCHKYCUWRB-UHFFFAOYSA-N 1 0 235.287 1.890 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)s1 ZINC000165229591 181109428 /nfs/dbraw/zinc/10/94/28/181109428.db2.gz SXRAUGSEPKVFOZ-MNOVXSKESA-N 1 0 222.313 1.623 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000135487963 181109515 /nfs/dbraw/zinc/10/95/15/181109515.db2.gz GTQGTZOPDBWSHI-BXKDBHETSA-N 1 0 220.272 1.402 10 30 BDEERO N#Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038051024 181126481 /nfs/dbraw/zinc/12/64/81/181126481.db2.gz ZNAQZRKPWDCYSV-MNOVXSKESA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1ccc(N[C@H]2C[C@@H]2[NH3+])cc1Cl ZINC000061846836 181126542 /nfs/dbraw/zinc/12/65/42/181126542.db2.gz SIUJPXXFAFAVGM-UWVGGRQHSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051883145 181128526 /nfs/dbraw/zinc/12/85/26/181128526.db2.gz BVSNNUMWGOGSBD-LLVKDONJSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1cccc(N2CCC[NH2+]CC2)c1 ZINC000043461279 181139287 /nfs/dbraw/zinc/13/92/87/181139287.db2.gz SYBAGXPIVZEDOC-UHFFFAOYSA-N 1 0 201.273 1.358 10 30 BDEERO N#Cc1ccccc1NCC1CC[NH2+]CC1 ZINC000044509214 181148508 /nfs/dbraw/zinc/14/85/08/181148508.db2.gz IITSLBHVSHAXOX-UHFFFAOYSA-N 1 0 215.300 1.970 10 30 BDEERO N#Cc1cccnc1OCC[C@H]1CCC[NH2+]C1 ZINC000051918347 181154029 /nfs/dbraw/zinc/15/40/29/181154029.db2.gz SAXUHDAWJSAONO-LLVKDONJSA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1ccnc(SC[C@@H]2CCC[NH2+]2)c1 ZINC000095072093 181157964 /nfs/dbraw/zinc/15/79/64/181157964.db2.gz FGKTXNBAKOAOOB-JTQLQIEISA-N 1 0 219.313 1.797 10 30 BDEERO N/C(=N/O)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000061918886 181180082 /nfs/dbraw/zinc/18/00/82/181180082.db2.gz IDYZRMSDHPFQIV-UHFFFAOYSA-N 1 0 249.314 1.003 10 30 BDEERO Cc1cc(NCC2CC[NH2+]CC2)c(C#N)cn1 ZINC000399099834 355368427 /nfs/dbraw/zinc/36/84/27/355368427.db2.gz ZUDQSXXRJCAUIM-UHFFFAOYSA-N 1 0 230.315 1.095 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)cn1 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C[C@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337455 356802630 /nfs/dbraw/zinc/80/26/30/356802630.db2.gz SYDFIEWGMLGOBJ-LURJTMIESA-N 1 0 244.220 1.731 10 30 BDEERO C#CC1([NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000685947831 538889788 /nfs/dbraw/zinc/88/97/88/538889788.db2.gz QLQDQGPSJCXEFR-UHFFFAOYSA-N 1 0 224.304 1.348 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460724 357663269 /nfs/dbraw/zinc/66/32/69/357663269.db2.gz DXQRNGCPKAAAKZ-TUAOUCFPSA-N 1 0 235.331 1.231 10 30 BDEERO C#CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000192115466 357823058 /nfs/dbraw/zinc/82/30/58/357823058.db2.gz IJEUABQIPNIRPM-CHWSQXEVSA-N 1 0 234.343 1.485 10 30 BDEERO CCCCCCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122627825 134240364 /nfs/dbraw/zinc/24/03/64/134240364.db2.gz OQWXFUNGEJRTOX-NEPJUHHUSA-N 1 0 242.363 1.531 10 30 BDEERO CC[NH+](CC)CC#CC#CC(C)(C)NC(C)=O ZINC000584591255 358249798 /nfs/dbraw/zinc/24/97/98/358249798.db2.gz ZYKXZFCXWFGUTM-UHFFFAOYSA-N 1 0 234.343 1.250 10 30 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Cc1cc(C#N)cc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389779743 360345718 /nfs/dbraw/zinc/34/57/18/360345718.db2.gz CSIIBLZTIZDHID-BXKDBHETSA-N 1 0 230.315 1.672 10 30 BDEERO C[C@H](C[NH3+])Oc1cc(Cl)cc(C#N)c1 ZINC000306508071 360317484 /nfs/dbraw/zinc/31/74/84/360317484.db2.gz ALSYDZZMXFFFFV-SSDOTTSWSA-N 1 0 210.664 1.938 10 30 BDEERO CC#CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155704161 360913931 /nfs/dbraw/zinc/91/39/31/360913931.db2.gz LZHNEUXAIMEYFK-QWHCGFSZSA-N 1 0 206.333 1.568 10 30 BDEERO N=C(N)Nc1nc(-c2cccc(O)c2)cs1 ZINC000027633307 181323377 /nfs/dbraw/zinc/32/33/77/181323377.db2.gz MAHAMCKXUFDUPF-UHFFFAOYSA-N 1 0 234.284 1.421 10 30 BDEERO NC(=[NH2+])Nc1ccccc1C(F)(F)F ZINC000052091855 181323480 /nfs/dbraw/zinc/32/34/80/181323480.db2.gz IXZXFWYQKMZGJR-UHFFFAOYSA-N 1 0 203.167 1.610 10 30 BDEERO CC(C)COCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000158896058 361213787 /nfs/dbraw/zinc/21/37/87/361213787.db2.gz PYCXQFFZGUDZFT-NEPJUHHUSA-N 1 0 210.321 1.941 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@@H+]1CC1(CS)CC1 ZINC000306624929 361284956 /nfs/dbraw/zinc/28/49/56/361284956.db2.gz GFAUDUIMUXIDAP-DTWKUNHWSA-N 1 0 201.335 1.152 10 30 BDEERO c1ccc2c(c1)CC[NH+](C[C@H]1CO1)CC2 ZINC000070620773 361647577 /nfs/dbraw/zinc/64/75/77/361647577.db2.gz RQHHDLPSBQYUDQ-ZDUSSCGKSA-N 1 0 203.285 1.486 10 30 BDEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ncc[nH]2)s1 ZINC000104114527 181346260 /nfs/dbraw/zinc/34/62/60/181346260.db2.gz WQNOGJQWTVOPPQ-UHFFFAOYSA-N 1 0 246.295 1.034 10 30 BDEERO [NH3+]CC#Cc1ccc2c(c1)OCCCO2 ZINC000037470991 181346744 /nfs/dbraw/zinc/34/67/44/181346744.db2.gz HIYAQPAPJQGJLD-UHFFFAOYSA-N 1 0 203.241 1.158 10 30 BDEERO [NH3+]CC#Cc1ccccc1NC(=O)NC1CC1 ZINC000054457889 181347705 /nfs/dbraw/zinc/34/77/05/181347705.db2.gz DZYVIAVHAXEUQY-UHFFFAOYSA-N 1 0 229.283 1.281 10 30 BDEERO [NH3+]CC#Cc1cccc(CNC(=O)C2CCC2)c1 ZINC000049586516 181346675 /nfs/dbraw/zinc/34/66/75/181346675.db2.gz WCTUKAJXDOUAEN-UHFFFAOYSA-N 1 0 242.322 1.413 10 30 BDEERO [NH3+]CC#Cc1ccc(NC(=O)C2CC2)cc1 ZINC000037471187 181346691 /nfs/dbraw/zinc/34/66/91/181346691.db2.gz RCTKVKRPLJMGFJ-UHFFFAOYSA-N 1 0 214.268 1.345 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252554460 363892397 /nfs/dbraw/zinc/89/23/97/363892397.db2.gz HNKSCHOOJOSVKM-KXUCPTDWSA-N 1 0 245.164 1.435 10 30 BDEERO N#CCCOCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000338921887 365441663 /nfs/dbraw/zinc/44/16/63/365441663.db2.gz OPTATVCIVAXDSQ-CHWSQXEVSA-N 1 0 238.331 1.560 10 30 BDEERO COCCOCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827910 369100375 /nfs/dbraw/zinc/10/03/75/369100375.db2.gz REHNLPRBANDREU-VXGBXAGGSA-N 1 0 226.320 1.321 10 30 BDEERO COCCOCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054827915 369100761 /nfs/dbraw/zinc/10/07/61/369100761.db2.gz REHNLPRBANDREU-NWDGAFQWSA-N 1 0 226.320 1.321 10 30 BDEERO CCC[C@H]([NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405080140 369444855 /nfs/dbraw/zinc/44/48/55/369444855.db2.gz FQDVJZGDIMLESD-ZDUSSCGKSA-N 1 0 243.310 1.528 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000600958910 369577248 /nfs/dbraw/zinc/57/72/48/369577248.db2.gz SHUDYWOMMVGIRM-GZMMTYOYSA-N 1 0 246.270 1.629 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc(C#N)ccn1)C2 ZINC000600956544 369575240 /nfs/dbraw/zinc/57/52/40/369575240.db2.gz UQBAMIOZKXWSDH-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955055 369578384 /nfs/dbraw/zinc/57/83/84/369578384.db2.gz JEVLTZGQHUTTJG-PSASIEDQSA-N 1 0 231.303 1.209 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000600962410 369579714 /nfs/dbraw/zinc/57/97/14/369579714.db2.gz WQVONNMRCVQOSA-SKDRFNHKSA-N 1 0 230.315 1.293 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000600961633 369580607 /nfs/dbraw/zinc/58/06/07/369580607.db2.gz TTYIIULKDJIYJN-CMPLNLGQSA-N 1 0 244.342 1.601 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251196266 369730840 /nfs/dbraw/zinc/73/08/40/369730840.db2.gz DXQRNGCPKAAAKZ-UTUOFQBUSA-N 1 0 235.331 1.231 10 30 BDEERO C[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000602589700 369820048 /nfs/dbraw/zinc/82/00/48/369820048.db2.gz BSZGCXIQUKVECV-GXFFZTMASA-N 1 0 243.310 1.225 10 30 BDEERO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)CC[N@@H+]1C ZINC000252217943 370002767 /nfs/dbraw/zinc/00/27/67/370002767.db2.gz ZQOSDBGYQBCYOL-XQHKEYJVSA-N 1 0 221.348 1.751 10 30 BDEERO Nc1ccc2c(c1)[C@@H](CCS)[NH2+]CC2 ZINC000075752032 181730407 /nfs/dbraw/zinc/73/04/07/181730407.db2.gz HRBQEVQMUXCPFI-LLVKDONJSA-N 1 0 208.330 1.776 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131800467 371678557 /nfs/dbraw/zinc/67/85/57/371678557.db2.gz ICRYUSHLORHQDA-LLVKDONJSA-N 1 0 248.286 1.862 10 30 BDEERO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000227710914 371925658 /nfs/dbraw/zinc/92/56/58/371925658.db2.gz HSHWQCOAEMYCBO-TUAOUCFPSA-N 1 0 210.321 1.819 10 30 BDEERO CN(CCC[NH3+])c1ccc(Cl)cc1C#N ZINC000227750230 371929690 /nfs/dbraw/zinc/92/96/90/371929690.db2.gz YJNHDNHLXNJZNL-UHFFFAOYSA-N 1 0 223.707 1.997 10 30 BDEERO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000228360981 372020679 /nfs/dbraw/zinc/02/06/79/372020679.db2.gz HHTCDWUGNMISNC-NEPJUHHUSA-N 1 0 237.347 1.573 10 30 BDEERO C[C@@H]1CC[C@H](Nc2cc(C#N)ccn2)C[NH2+]1 ZINC000142529945 373583727 /nfs/dbraw/zinc/58/37/27/373583727.db2.gz LMJPFXLUWFUXEI-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO N[NH+]=C(N)c1cc(F)cc(Br)c1 ZINC000042038657 374234407 /nfs/dbraw/zinc/23/44/07/374234407.db2.gz MACYWIGZMXBCDZ-UHFFFAOYSA-N 1 0 232.056 1.167 10 30 BDEERO Oc1ccc2c(c1)[C@@H](CCS)[NH2+]CC2 ZINC000083663914 183281511 /nfs/dbraw/zinc/28/15/11/183281511.db2.gz JBGXMXMGMBZWIJ-LLVKDONJSA-N 1 0 209.314 1.899 10 30 BDEERO Oc1ccc2c(c1)CC[NH2+][C@@H]2CCS ZINC000083660590 183280219 /nfs/dbraw/zinc/28/02/19/183280219.db2.gz JWHKYKPXUJMHBW-LLVKDONJSA-N 1 0 209.314 1.899 10 30 BDEERO CCC[N@H+](CCO)Cc1ccccc1C#CCO ZINC000049614063 169167479 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/nfs/dbraw/zinc/31/01/27/385310127.db2.gz MSUXOURFUDWQMH-CQSZACIVSA-N 1 0 242.326 1.628 10 30 BDEERO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000149588436 385272665 /nfs/dbraw/zinc/27/26/65/385272665.db2.gz WCHSDHRLBLGCQK-ZWNOBZJWSA-N 1 0 246.310 1.834 10 30 BDEERO C[C@@H](C#N)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000407998382 385343718 /nfs/dbraw/zinc/34/37/18/385343718.db2.gz RDGDJCYNMDNUCJ-WDEREUQCSA-N 1 0 223.320 1.279 10 30 BDEERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C#N)n1 ZINC000308237034 385410640 /nfs/dbraw/zinc/41/06/40/385410640.db2.gz DQWLPMMJYQEUKJ-ZLKJLUDKSA-N 1 0 242.326 1.435 10 30 BDEERO C[C@@H]([NH2+]CCCSCC#N)[C@@H]1CCCO1 ZINC000183092329 385508935 /nfs/dbraw/zinc/50/89/35/385508935.db2.gz WZBCYTGISJRMKF-MNOVXSKESA-N 1 0 228.361 1.790 10 30 BDEERO C[C@@H](CC[NH3+])Nc1cccc(F)c1C#N ZINC000308917082 385638025 /nfs/dbraw/zinc/63/80/25/385638025.db2.gz NXQFJHVJXNCHKR-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000228821906 385809482 /nfs/dbraw/zinc/80/94/82/385809482.db2.gz UVDWHYBBNJGIIV-GXFFZTMASA-N 1 0 244.342 1.825 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CC[C@H]1O ZINC000575539078 385936325 /nfs/dbraw/zinc/93/63/25/385936325.db2.gz WEHMKTYQSQHHKQ-NKWVEPMBSA-N 1 0 206.083 1.008 10 30 BDEERO N#CC1(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000425527171 386312727 /nfs/dbraw/zinc/31/27/27/386312727.db2.gz LSRXXHFCVFYHNZ-TUAOUCFPSA-N 1 0 220.316 1.383 10 30 BDEERO C[C@@H]1[C@H](C)SCC[N@H+]1C(C)(C)C=O ZINC000307636942 386961058 /nfs/dbraw/zinc/96/10/58/386961058.db2.gz VLDSRUUQPBWZLO-BDAKNGLRSA-N 1 0 201.335 1.790 10 30 BDEERO N#CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398748651 386985742 /nfs/dbraw/zinc/98/57/42/386985742.db2.gz UVFITEQYRQMOQX-YNEHKIRRSA-N 1 0 222.332 1.773 10 30 BDEERO C=CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246321455 387073255 /nfs/dbraw/zinc/07/32/55/387073255.db2.gz XAHJZSIZHHAOSD-WDEREUQCSA-N 1 0 225.336 1.200 10 30 BDEERO N#C[C@H]1CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000575469255 387088539 /nfs/dbraw/zinc/08/85/39/387088539.db2.gz YCKTXWLLTWYCCC-GFCCVEGCSA-N 1 0 228.299 1.556 10 30 BDEERO SCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575587879 387179287 /nfs/dbraw/zinc/17/92/87/387179287.db2.gz IBVWQHVYTCCDDE-BDAKNGLRSA-N 1 0 203.376 1.886 10 30 BDEERO C#CC[C@@H]([NH3+])c1c(Br)cnn1C ZINC000575483207 387182000 /nfs/dbraw/zinc/18/20/00/387182000.db2.gz OJNTURRIWCOUHA-SSDOTTSWSA-N 1 0 228.093 1.206 10 30 BDEERO C=CC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648080606 387515315 /nfs/dbraw/zinc/51/53/15/387515315.db2.gz GHJSJRSXSPITKN-STQMWFEESA-N 1 0 236.359 1.786 10 30 BDEERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424102715 387527168 /nfs/dbraw/zinc/52/71/68/387527168.db2.gz LTVOWGWWQLYEQC-WDEREUQCSA-N 1 0 225.336 1.558 10 30 BDEERO C=C(Br)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000575558733 387699916 /nfs/dbraw/zinc/69/99/16/387699916.db2.gz RQJFLINXKPQQDX-VHSXEESVSA-N 1 0 245.164 1.436 10 30 BDEERO N#C[C@@]1(NCc2ccccc2)CCC[NH2+]CC1 ZINC000575568061 387736630 /nfs/dbraw/zinc/73/66/30/387736630.db2.gz DHZFLFZNABJNAH-CQSZACIVSA-N 1 0 229.327 1.812 10 30 BDEERO C[C@H]1C[C@H](O)C[N@@H+]1CC1(C=O)CCCC1 ZINC000306621917 388009916 /nfs/dbraw/zinc/00/99/16/388009916.db2.gz CRCVXXDZZNEPKO-QWRGUYRKSA-N 1 0 211.305 1.201 10 30 BDEERO CC#CCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156646304 388014684 /nfs/dbraw/zinc/01/46/84/388014684.db2.gz HCAWPGCVFVDDFX-CYBMUJFWSA-N 1 0 206.333 1.570 10 30 BDEERO CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037850556 388598439 /nfs/dbraw/zinc/59/84/39/388598439.db2.gz HYOAEFXWPNIMLL-ZDUSSCGKSA-N 1 0 248.326 1.688 10 30 BDEERO Cc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1C#N ZINC000302679240 388624000 /nfs/dbraw/zinc/62/40/00/388624000.db2.gz VXDQSBBTQWIODX-NSHDSACASA-N 1 0 230.315 1.402 10 30 BDEERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1C#N ZINC000091537950 388634227 /nfs/dbraw/zinc/63/42/27/388634227.db2.gz WETNBZWLKHSQPZ-UHFFFAOYSA-N 1 0 246.310 1.427 10 30 BDEERO Cc1cc(N(C)C2CC([NH3+])C2)cc(C#N)n1 ZINC000308246764 388658761 /nfs/dbraw/zinc/65/87/61/388658761.db2.gz ZIPJJUCIGHJCBA-UHFFFAOYSA-N 1 0 216.288 1.188 10 30 BDEERO C=CCCOCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000128164513 388739821 /nfs/dbraw/zinc/73/98/21/388739821.db2.gz AWFGPEVAEOVEEH-GFCCVEGCSA-N 1 0 242.363 1.426 10 30 BDEERO C=C1CN(c2c(N)c[nH+]cc2Br)C1 ZINC000575456876 388789804 /nfs/dbraw/zinc/78/98/04/388789804.db2.gz WFOSTIIJTIOPAS-UHFFFAOYSA-N 1 0 240.104 1.803 10 30 BDEERO C#CC[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575464642 388832809 /nfs/dbraw/zinc/83/28/09/388832809.db2.gz LXZYDEGKPVITCR-SSDOTTSWSA-N 1 0 228.093 1.206 10 30 BDEERO CC(=CCc1ccccc1)N=NC(N)=[NH2+] ZINC000254584016 388837861 /nfs/dbraw/zinc/83/78/61/388837861.db2.gz YLWFQUPOVYEUFJ-IWOBHFQKSA-N 1 0 202.261 1.559 10 30 BDEERO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000564574722 388879414 /nfs/dbraw/zinc/87/94/14/388879414.db2.gz FWXSEIPJRUHWFY-RYUDHWBXSA-N 1 0 209.337 1.562 10 30 BDEERO C[NH+](C)C1CCN(c2ccc(C#N)cc2N)CC1 ZINC000036191174 132340729 /nfs/dbraw/zinc/34/07/29/132340729.db2.gz OAFIETOVLVRYSF-UHFFFAOYSA-N 1 0 244.342 1.671 10 30 BDEERO C[C@H]([NH3+])[C@H]1CCCCN1c1nccnc1C#N ZINC000063196704 132389659 /nfs/dbraw/zinc/38/96/59/132389659.db2.gz RHHGHQIJXTZMQR-GXSJLCMTSA-N 1 0 231.303 1.054 10 30 BDEERO C[NH+]=C(NCc1nccs1)N[C@@H]1C[C@@H]1C ZINC000083905277 133565225 /nfs/dbraw/zinc/56/52/25/133565225.db2.gz IODVJJWHURVVEX-JGVFFNPUSA-N 1 0 224.333 1.217 10 30 BDEERO C=CCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000170683290 134253260 /nfs/dbraw/zinc/25/32/60/134253260.db2.gz XDCRRJWTSPTRSU-UHFFFAOYSA-N 1 0 222.332 1.649 10 30 BDEERO C#CCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173512121 134275454 /nfs/dbraw/zinc/27/54/54/134275454.db2.gz KBSYRPBTHYHNMW-QWHCGFSZSA-N 1 0 249.358 1.278 10 30 BDEERO C[C@@H](CC#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220555846 134309674 /nfs/dbraw/zinc/30/96/74/134309674.db2.gz YXPLVAGITACJHG-QWHCGFSZSA-N 1 0 221.348 1.849 10 30 BDEERO CCNC(=[NH2+])N[C@H](C)COCc1ccccc1 ZINC000179061368 134314719 /nfs/dbraw/zinc/31/47/19/134314719.db2.gz PRFWWPQWRBQBPZ-LLVKDONJSA-N 1 0 235.331 1.516 10 30 BDEERO C[C@@H](C#N)N1CCCC[C@@H]1CN1CCOCC1 ZINC000181928364 134340795 /nfs/dbraw/zinc/34/07/95/134340795.db2.gz VCXHQIKMPBRGKJ-QWHCGFSZSA-N 1 0 237.347 1.085 10 30 BDEERO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185457035 134380618 /nfs/dbraw/zinc/38/06/18/134380618.db2.gz GSZGXFXJUFCRRR-NEPJUHHUSA-N 1 0 224.348 1.751 10 30 BDEERO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185457073 134380670 /nfs/dbraw/zinc/38/06/70/134380670.db2.gz GSZGXFXJUFCRRR-VXGBXAGGSA-N 1 0 224.348 1.751 10 30 BDEERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C#N)CC2 ZINC000248458195 135012358 /nfs/dbraw/zinc/01/23/58/135012358.db2.gz MTEPIZFEGJYEDJ-XQQFMLRXSA-N 1 0 221.348 1.846 10 30 BDEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000249057335 135031044 /nfs/dbraw/zinc/03/10/44/135031044.db2.gz ZBCQHBBLQHFXPS-IJLUTSLNSA-N 1 0 245.330 1.785 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000250636301 135056777 /nfs/dbraw/zinc/05/67/77/135056777.db2.gz FTUACUODWKSADA-SRVKXCTJSA-N 1 0 208.305 1.837 10 30 BDEERO C[C@H](CC#N)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251504007 135070637 /nfs/dbraw/zinc/07/06/37/135070637.db2.gz HWBGDSHMIIHJFQ-AGIUHOORSA-N 1 0 221.348 1.705 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CCOC1 ZINC000252933652 135117859 /nfs/dbraw/zinc/11/78/59/135117859.db2.gz DAQQDFWQKFIDLE-WHOHXGKFSA-N 1 0 208.305 1.693 10 30 BDEERO N#Cc1ccc(CNC(=[NH2+])NC2CCC2)s1 ZINC000263063288 135124570 /nfs/dbraw/zinc/12/45/70/135124570.db2.gz FUZXUIQQPYXVCF-UHFFFAOYSA-N 1 0 234.328 1.577 10 30 BDEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000078784764 135151087 /nfs/dbraw/zinc/15/10/87/135151087.db2.gz SNOOCZRAJOZDKY-ZJUUUORDSA-N 1 0 241.335 1.021 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC(C)(C)c2ccccc2)N1 ZINC000261559762 135200240 /nfs/dbraw/zinc/20/02/40/135200240.db2.gz UAUISWHLYDHGEY-LLVKDONJSA-N 1 0 231.343 1.902 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCCS1)N[C@H]1CC1(C)C ZINC000262004152 135271695 /nfs/dbraw/zinc/27/16/95/135271695.db2.gz VERUPYKJDSKFBF-UWVGGRQHSA-N 1 0 241.404 1.846 10 30 BDEERO COc1ccc(OC)c(NC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000262011149 135272096 /nfs/dbraw/zinc/27/20/96/135272096.db2.gz UBEXYLVSWANKFL-WPRPVWTQSA-N 1 0 249.314 1.839 10 30 BDEERO C=C(C)CNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000262083665 135278062 /nfs/dbraw/zinc/27/80/62/135278062.db2.gz FOZJKLMNFBQGGL-GHMZBOCLSA-N 1 0 239.363 1.670 10 30 BDEERO CC[C@@H](C)NC(=[NH2+])NCc1ccc2cc[nH]c2n1 ZINC000262349383 135294774 /nfs/dbraw/zinc/29/47/74/135294774.db2.gz FLFZFLLUPFIATB-SECBINFHSA-N 1 0 245.330 1.766 10 30 BDEERO CN(C)C(=[NH+]Cc1ccc2cc[nH]c2n1)N(C)C ZINC000262392572 135298841 /nfs/dbraw/zinc/29/88/41/135298841.db2.gz RWVGVNDQUXPJCV-UHFFFAOYSA-N 1 0 245.330 1.542 10 30 BDEERO Cc1sc(CNC(=[NH2+])N(C)C)nc1C(C)C ZINC000262549037 135305852 /nfs/dbraw/zinc/30/58/52/135305852.db2.gz WVIHPKJZLJSKRX-UHFFFAOYSA-N 1 0 240.376 1.951 10 30 BDEERO C[C@@H]1C[NH+]=C(N[C@H]2CCC23CCCC3)N1 ZINC000262647983 135311017 /nfs/dbraw/zinc/31/10/17/135311017.db2.gz JOSRKHIBVLRYQT-ZJUUUORDSA-N 1 0 207.321 1.647 10 30 BDEERO C=C(C)CNC(=[NH2+])NCCc1cc(C)no1 ZINC000262675389 135313368 /nfs/dbraw/zinc/31/33/68/135313368.db2.gz SYXDGLSOKMJADZ-UHFFFAOYSA-N 1 0 222.292 1.006 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262804658 135319250 /nfs/dbraw/zinc/31/92/50/135319250.db2.gz NBKHWPOZQHYVRY-JTQLQIEISA-N 1 0 225.336 1.116 10 30 BDEERO CN1CCC[NH+]=C1NCc1ccc2cc[nH]c2n1 ZINC000263097708 135332317 /nfs/dbraw/zinc/33/23/17/135332317.db2.gz JOXKRJAWKVYOPH-UHFFFAOYSA-N 1 0 243.314 1.344 10 30 BDEERO C[C@@H]1CN(C(=[NH2+])N[C@H]2CCC2(C)C)CCO1 ZINC000263140087 135334941 /nfs/dbraw/zinc/33/49/41/135334941.db2.gz JJQOBWJXICCHGL-ZJUUUORDSA-N 1 0 225.336 1.210 10 30 BDEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)N1CCCCCC1 ZINC000263184769 135338062 /nfs/dbraw/zinc/33/80/62/135338062.db2.gz WMZVYENZPOCUTP-IUCAKERBSA-N 1 0 231.290 1.831 10 30 BDEERO C[C@@H]1CC(CNC(=[NH2+])NC2CCC2)C[C@@H](C)O1 ZINC000263208713 135339486 /nfs/dbraw/zinc/33/94/86/135339486.db2.gz YRMWNIFHXWOHRU-NXEZZACHSA-N 1 0 239.363 1.647 10 30 BDEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCC1 ZINC000263210603 135340306 /nfs/dbraw/zinc/34/03/06/135340306.db2.gz YZMROKRMIZAKIL-JQWIXIFHSA-N 1 0 209.337 1.832 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000282274012 135370882 /nfs/dbraw/zinc/37/08/82/135370882.db2.gz HUCNJUVIDDMQRV-OCCSQVGLSA-N 1 0 242.322 1.295 10 30 BDEERO N#Cc1cccc(CN2CCCC[C@H]2C[NH3+])c1 ZINC000034409279 136096031 /nfs/dbraw/zinc/09/60/31/136096031.db2.gz MMEHFLFBVOVBKH-AWEZNQCLSA-N 1 0 229.327 1.871 10 30 BDEERO C=CCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175551211 398045099 /nfs/dbraw/zinc/04/50/99/398045099.db2.gz AYYZEDNWGZQLGA-LLVKDONJSA-N 1 0 210.321 1.505 10 30 BDEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000294960479 398102834 /nfs/dbraw/zinc/10/28/34/398102834.db2.gz IGVFBHHDQKRCFE-SMDDNHRTSA-N 1 0 230.311 1.903 10 30 BDEERO CC(C)NC(=O)CC[N@H+](CCC#N)C(C)C ZINC000054048443 167040393 /nfs/dbraw/zinc/04/03/93/167040393.db2.gz LTKKQTONPRXNOU-UHFFFAOYSA-N 1 0 225.336 1.525 10 30 BDEERO CC(C)[NH2+]C[C@H](O)CON=C1CCCC1 ZINC000029334216 167115658 /nfs/dbraw/zinc/11/56/58/167115658.db2.gz LTHPIAMOUSTEOF-NSHDSACASA-N 1 0 214.309 1.292 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473511 166182555 /nfs/dbraw/zinc/18/25/55/166182555.db2.gz YMKCNTXKTVDCTD-SNVBAGLBSA-N 1 0 234.274 1.053 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCCCc1ccccc1 ZINC000083357537 166206436 /nfs/dbraw/zinc/20/64/36/166206436.db2.gz RPVHLOWADLCTKU-ZDUSSCGKSA-N 1 0 230.311 1.086 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCCCCCCCC ZINC000106205409 166206716 /nfs/dbraw/zinc/20/67/16/166206716.db2.gz WYGFQFIQJZCPTL-LBPRGKRZSA-N 1 0 224.348 1.814 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062112511 166222633 /nfs/dbraw/zinc/22/26/33/166222633.db2.gz ZTSFCJHXXUANBP-LLVKDONJSA-N 1 0 214.268 1.216 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000019516896 166222968 /nfs/dbraw/zinc/22/29/68/166222968.db2.gz FOEHFOJEMVOERG-ZDUSSCGKSA-N 1 0 228.295 1.749 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccc(C)cc1 ZINC000057520909 166374716 /nfs/dbraw/zinc/37/47/16/166374716.db2.gz XWTUTVKGCJYPQG-CYBMUJFWSA-N 1 0 232.327 1.730 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccco1 ZINC000076584405 166389776 /nfs/dbraw/zinc/38/97/76/166389776.db2.gz OOEMCTWDDLHWQG-SECBINFHSA-N 1 0 208.261 1.014 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076618878 166390525 /nfs/dbraw/zinc/39/05/25/166390525.db2.gz LQBKJBMORHCXOK-LLVKDONJSA-N 1 0 236.290 1.560 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000161102861 411282317 /nfs/dbraw/zinc/28/23/17/411282317.db2.gz LXBULGXSOAROQN-ZWNOBZJWSA-N 1 0 244.342 1.648 10 30 BDEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000659332081 411395999 /nfs/dbraw/zinc/39/59/99/411395999.db2.gz XWTOTTHPSWMIBE-UTUOFQBUSA-N 1 0 224.348 1.845 10 30 BDEERO CC[NH2+]CCC(=O)N(C)c1cccc(C#N)c1 ZINC000061980711 170111498 /nfs/dbraw/zinc/11/14/98/170111498.db2.gz GYGLMIAOQPMWEU-UHFFFAOYSA-N 1 0 231.299 1.521 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+]CCCC#N ZINC000038014760 171322947 /nfs/dbraw/zinc/32/29/47/171322947.db2.gz HHYVCFCWHXNVOO-JTQLQIEISA-N 1 0 211.309 1.185 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662631073 412250585 /nfs/dbraw/zinc/25/05/85/412250585.db2.gz PALIOXCYOWVLKA-RYUDHWBXSA-N 1 0 222.332 1.411 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000662954031 412353444 /nfs/dbraw/zinc/35/34/44/412353444.db2.gz SMMATAKPOAKCDK-NSHDSACASA-N 1 0 224.348 1.847 10 30 BDEERO CCc1ccc([C@H](C#N)N2CC[NH2+]CC2)s1 ZINC000051719698 171837856 /nfs/dbraw/zinc/83/78/56/171837856.db2.gz ZTFVXWPYJZHCER-NSHDSACASA-N 1 0 235.356 1.780 10 30 BDEERO CCc1nnc(NC(=O)C[n+]2ccccc2)s1 ZINC000085347847 172057579 /nfs/dbraw/zinc/05/75/79/172057579.db2.gz FQDHCMRHFYJJIN-UHFFFAOYSA-O 1 0 249.319 1.027 10 30 BDEERO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccccc1C#N ZINC000077343563 172333579 /nfs/dbraw/zinc/33/35/79/172333579.db2.gz ARJMDWOOFZYTOI-LLVKDONJSA-N 1 0 229.283 1.273 10 30 BDEERO C[NH2+]CC(=O)Nc1cc(C#N)cc(F)c1C ZINC000037043428 173332690 /nfs/dbraw/zinc/33/26/90/173332690.db2.gz XHPBTQMRUJFXOI-UHFFFAOYSA-N 1 0 221.235 1.164 10 30 BDEERO C[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000037703383 173386998 /nfs/dbraw/zinc/38/69/98/173386998.db2.gz CMHUZSCYIQNFBE-UHFFFAOYSA-N 1 0 210.664 1.962 10 30 BDEERO C[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000042874249 173387008 /nfs/dbraw/zinc/38/70/08/173387008.db2.gz UDSXYCXENJGPKD-UHFFFAOYSA-N 1 0 220.228 1.037 10 30 BDEERO COc1ccc([C@@H](C[NH3+])N(C)CCC#N)cc1 ZINC000042960531 175178570 /nfs/dbraw/zinc/17/85/70/175178570.db2.gz YZXHSFHNSBDAMY-CYBMUJFWSA-N 1 0 233.315 1.540 10 30 BDEERO COc1ccc2c(c1)C(=NNC(N)=[NH2+])CCC2 ZINC000029226534 175206093 /nfs/dbraw/zinc/20/60/93/175206093.db2.gz WFIFYMSOXCLBRU-RVDMUPIBSA-N 1 0 232.287 1.009 10 30 BDEERO COc1cccc([C@@H](C[NH3+])N(C)CCC#N)c1 ZINC000043026031 175287378 /nfs/dbraw/zinc/28/73/78/175287378.db2.gz YPWTWNJAJYDNRW-CYBMUJFWSA-N 1 0 233.315 1.540 10 30 BDEERO COc1cccc([C@H](C[NH3+])N(CC#N)CC#N)c1 ZINC000043026005 175294393 /nfs/dbraw/zinc/29/43/93/175294393.db2.gz FDDJFBUWMNZWSN-ZDUSSCGKSA-N 1 0 244.298 1.044 10 30 BDEERO C[C@@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC000038086686 176013690 /nfs/dbraw/zinc/01/36/90/176013690.db2.gz ZKWRJBRTBAQSRG-NSHDSACASA-N 1 0 215.300 1.524 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1[NH+](C)C ZINC000123982866 176319046 /nfs/dbraw/zinc/31/90/46/176319046.db2.gz GMRYLWLHTLCYCL-PWSUYJOCSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063093194 176596192 /nfs/dbraw/zinc/59/61/92/176596192.db2.gz MHSHLZWKBLPFCN-MROQNXINSA-N 1 0 249.358 1.668 10 30 BDEERO C[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000063171520 176759702 /nfs/dbraw/zinc/75/97/02/176759702.db2.gz VINRICKVMJTZPL-ZETCQYMHSA-N 1 0 235.247 1.011 10 30 BDEERO C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC000061891836 176896108 /nfs/dbraw/zinc/89/61/08/176896108.db2.gz OLUXBAMYBAEURM-REWJHTLYSA-N 1 0 235.375 1.999 10 30 BDEERO C[C@H](Oc1ccccc1/C=N/O)C1=[NH+]CCN1 ZINC000040430961 177024347 /nfs/dbraw/zinc/02/43/47/177024347.db2.gz JDVBCCBWSXJBJH-HVIDBACLSA-N 1 0 233.271 1.264 10 30 BDEERO C[C@H](S)[C@@H]1[NH2+]CCc2cccc(O)c21 ZINC000083660562 177025787 /nfs/dbraw/zinc/02/57/87/177025787.db2.gz FPASJYBOJPXPLI-CPCISQLKSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1CCC[C@](C#N)(NCC[NH+](C)C)C1 ZINC000037940695 177143942 /nfs/dbraw/zinc/14/39/42/177143942.db2.gz PJNXOUVSMWZYSL-RYUDHWBXSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1CCc2c(C#N)c(NC(=O)C[NH3+])sc2C1 ZINC000031959959 177208995 /nfs/dbraw/zinc/20/89/95/177208995.db2.gz HVHUICBJGSBATL-ZETCQYMHSA-N 1 0 249.339 1.642 10 30 BDEERO C[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124130001 177263641 /nfs/dbraw/zinc/26/36/41/177263641.db2.gz NPBCGKOUIMRBDY-WFASDCNBSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H]1C[C@@H]1C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586523 177340921 /nfs/dbraw/zinc/34/09/21/177340921.db2.gz QQDRRPLEWWOAHQ-FZMZJTMJSA-N 1 0 242.322 1.269 10 30 BDEERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)cc(C#N)n1 ZINC000308241103 229225413 /nfs/dbraw/zinc/22/54/13/229225413.db2.gz NLXGKWINABJYNX-MNOVXSKESA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308240613 229420999 /nfs/dbraw/zinc/42/09/99/229420999.db2.gz NIISHTNIVKIFQI-NWDGAFQWSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c(C#N)cn1 ZINC000399001049 262773885 /nfs/dbraw/zinc/77/38/85/262773885.db2.gz SSXJKPNNFMOZTI-GXSJLCMTSA-N 1 0 216.288 1.188 10 30 BDEERO C=CCCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000157726395 487918732 /nfs/dbraw/zinc/91/87/32/487918732.db2.gz ALQHGWGYSHKGKS-UHFFFAOYSA-N 1 0 224.348 1.929 10 30 BDEERO CC#CCC[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000248395908 323018135 /nfs/dbraw/zinc/01/81/35/323018135.db2.gz PESAKUKPJKGASH-ZDUSSCGKSA-N 1 0 224.348 1.052 10 30 BDEERO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)C#N)[C@@H](C)C1 ZINC000159106086 323022965 /nfs/dbraw/zinc/02/29/65/323022965.db2.gz RMOBXKFTUORGFT-QWRGUYRKSA-N 1 0 237.347 1.381 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1cc(C#N)ncn1 ZINC000309331540 323343041 /nfs/dbraw/zinc/34/30/41/323343041.db2.gz SLWJMRPPOKFILC-SNVBAGLBSA-N 1 0 219.292 1.134 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000135748651 325425951 /nfs/dbraw/zinc/42/59/51/325425951.db2.gz CPOYRRNKVJGFAP-OLZOCXBDSA-N 1 0 249.358 1.671 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158814275 487977286 /nfs/dbraw/zinc/97/72/86/487977286.db2.gz IMFVIHGUDGKNSW-AXFHLTTASA-N 1 0 210.321 1.442 10 30 BDEERO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)[C@H]1CCCO1 ZINC000068752487 488129655 /nfs/dbraw/zinc/12/96/55/488129655.db2.gz AKBBZGSXXFWADN-ZWNOBZJWSA-N 1 0 231.299 1.610 10 30 BDEERO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000070662787 535514263 /nfs/dbraw/zinc/51/42/63/535514263.db2.gz FOZNJJIBVRUHGM-NXEZZACHSA-N 1 0 213.325 1.633 10 30 BDEERO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308246811 534003507 /nfs/dbraw/zinc/00/35/07/534003507.db2.gz ZRIFATHRZDJAHA-ZWNOBZJWSA-N 1 0 230.315 1.801 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000226658215 534443361 /nfs/dbraw/zinc/44/33/61/534443361.db2.gz RAMNDJLSLMMNLA-QWRGUYRKSA-N 1 0 214.740 1.907 10 30 BDEERO CC(C)(C)NC(=[NH2+])NCc1ccc(C#N)s1 ZINC000263198043 534664200 /nfs/dbraw/zinc/66/42/00/534664200.db2.gz WSXDBPPRHMJFET-UHFFFAOYSA-N 1 0 236.344 1.823 10 30 BDEERO C=CCCC[C@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000183052538 534760053 /nfs/dbraw/zinc/76/00/53/534760053.db2.gz ILPRHRFYJNRCHM-WDEREUQCSA-N 1 0 212.337 1.975 10 30 BDEERO CC(C)(C#N)CCC[NH+]1CC(O)(C2CC2)C1 ZINC000084377049 534980099 /nfs/dbraw/zinc/98/00/99/534980099.db2.gz CPATWHJUPCQIRV-UHFFFAOYSA-N 1 0 222.332 1.773 10 30 BDEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[C@@H]1C ZINC000261830651 535260558 /nfs/dbraw/zinc/26/05/58/535260558.db2.gz VKFCJCMKAZIHNY-VHSXEESVSA-N 1 0 209.337 1.750 10 30 BDEERO CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262283246 536305517 /nfs/dbraw/zinc/30/55/17/536305517.db2.gz WEHXZQMDPFMSRG-RCOVLWMOSA-N 1 0 225.242 1.355 10 30 BDEERO CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000119928956 536305701 /nfs/dbraw/zinc/30/57/01/536305701.db2.gz OYHAPYKLVZOAHM-RCOVLWMOSA-N 1 0 241.697 1.869 10 30 BDEERO COc1ncccc1CCNC(=[NH2+])NC1CCC1 ZINC000263104053 537156724 /nfs/dbraw/zinc/15/67/24/537156724.db2.gz KIGTUUCICRFCLT-UHFFFAOYSA-N 1 0 248.330 1.090 10 30 BDEERO CCCC[C@]([N+]#N)(NC(C)=O)C(=O)OC ZINC000001529862 560181161 /nfs/dbraw/zinc/18/11/61/560181161.db2.gz RTAWYPPHIMOINL-SECBINFHSA-O 1 0 214.245 1.035 10 30 in-vitro BDEERO C#CCCCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258019 538069674 /nfs/dbraw/zinc/06/96/74/538069674.db2.gz DBVSPJOKESLYNW-UHFFFAOYSA-N 1 0 246.314 1.160 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000595693369 583151183 /nfs/dbraw/zinc/15/11/83/583151183.db2.gz STHNCTOFSRCQCK-UMSGYPCISA-N 1 0 222.332 1.962 10 30 BDEERO C#CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000127904116 583576629 /nfs/dbraw/zinc/57/66/29/583576629.db2.gz KWIBISSAQCKZLI-UHFFFAOYSA-N 1 0 219.332 1.831 10 30 BDEERO C#CCC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000134640669 591942969 /nfs/dbraw/zinc/94/29/69/591942969.db2.gz HXWKYNQOVIHJNB-UHFFFAOYSA-N 1 0 233.267 1.537 10 30 BDEERO Cc1nc(C#N)cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000308469070 631355027 /nfs/dbraw/zinc/35/50/27/631355027.db2.gz JWSAEDYNIFAFEL-SKDRFNHKSA-N 1 0 245.330 1.043 10 30 BDEERO COC[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000309668591 632637740 /nfs/dbraw/zinc/63/77/40/632637740.db2.gz VDUWYGOLCPEUIU-VIFPVBQESA-N 1 0 222.263 1.822 10 30 BDEERO C=C(Br)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000168309291 640799454 /nfs/dbraw/zinc/79/94/54/640799454.db2.gz ANVJBPVHGPFQBT-QMMMGPOBSA-N 1 0 249.152 1.385 10 30 BDEERO C#C[C@]1(O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC#N ZINC000169294501 640848249 /nfs/dbraw/zinc/84/82/49/640848249.db2.gz GLAUMXWUXMHJQQ-UTUOFQBUSA-N 1 0 206.289 1.043 10 30 BDEERO C=C(Cl)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000087415860 643659401 /nfs/dbraw/zinc/65/94/01/643659401.db2.gz DKJYBLYXTWAFOK-APPZFPTMSA-N 1 0 217.696 1.480 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H]1C ZINC000095019619 644737536 /nfs/dbraw/zinc/73/75/36/644737536.db2.gz RRTVKTAHYKBVCR-QWRGUYRKSA-N 1 0 236.315 1.421 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@H]1C ZINC000095019849 644739079 /nfs/dbraw/zinc/73/90/79/644739079.db2.gz KDORADZIDHKSKG-MNOVXSKESA-N 1 0 238.331 1.667 10 30 BDEERO C=C(Br)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000379331908 712374613 /nfs/dbraw/zinc/37/46/13/712374613.db2.gz GKQTZOHBXCOVEA-MRVPVSSYSA-N 1 0 236.153 1.892 10 30 BDEERO N#Cc1cc(F)ccc1NCC1CC([NH3+])C1 ZINC000715086550 712507665 /nfs/dbraw/zinc/50/76/65/712507665.db2.gz WXRISSKZRFJNHC-UHFFFAOYSA-N 1 0 219.263 1.847 10 30 BDEERO CC(C)(CO)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000037239024 712556624 /nfs/dbraw/zinc/55/66/24/712556624.db2.gz PYOCHLVFRYFNLF-UHFFFAOYSA-N 1 0 234.299 1.449 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000717461886 712659513 /nfs/dbraw/zinc/65/95/13/712659513.db2.gz VNZYBBKIGXUYBT-OLZOCXBDSA-N 1 0 221.300 1.031 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(C#N)cc1 ZINC000723823409 710732650 /nfs/dbraw/zinc/73/26/50/710732650.db2.gz SXJLNYONEASLQO-PWSUYJOCSA-N 1 0 215.300 1.826 10 30 BDEERO N#Cc1c(F)cccc1N1CC[C@H](CC[NH3+])C1 ZINC000723668712 711533273 /nfs/dbraw/zinc/53/32/73/711533273.db2.gz BBYUUQIKSDTBKT-JTQLQIEISA-N 1 0 233.290 1.872 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000723682486 711534065 /nfs/dbraw/zinc/53/40/65/711534065.db2.gz IVFVZCMWLNCNSF-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO CCN(c1nccc(C)c1C#N)[C@H]1CC[NH2+]C1 ZINC000135200541 711596292 /nfs/dbraw/zinc/59/62/92/711596292.db2.gz LGPGKMIRHQFQHH-NSHDSACASA-N 1 0 230.315 1.450 10 30 BDEERO N#Cc1ccc(NCCCCCC[NH3+])cn1 ZINC000700562738 711995952 /nfs/dbraw/zinc/99/59/52/711995952.db2.gz DYCATOYHDQVZIZ-UHFFFAOYSA-N 1 0 218.304 1.884 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1nc(Cl)c(C#N)s1 ZINC000702669013 712059256 /nfs/dbraw/zinc/05/92/56/712059256.db2.gz HZEIYBNINYBZNS-NTSWFWBYSA-N 1 0 242.735 1.594 10 30 BDEERO CCCCCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000707595135 712175469 /nfs/dbraw/zinc/17/54/69/712175469.db2.gz PCJNYTYOFCZRLF-WDEREUQCSA-N 1 0 230.327 1.773 10 30 BDEERO CN(c1cncc(C#N)n1)C1(C[NH3+])CCCCC1 ZINC000713320070 712458455 /nfs/dbraw/zinc/45/84/55/712458455.db2.gz VFQHJINAXCERDG-UHFFFAOYSA-N 1 0 245.330 1.446 10 30 BDEERO N#Cc1cccc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715132110 712513815 /nfs/dbraw/zinc/51/38/15/712513815.db2.gz MCJZAUFNAMAYNS-KYZUINATSA-N 1 0 202.261 1.102 10 30 BDEERO C=CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715467106 712520290 /nfs/dbraw/zinc/52/02/90/712520290.db2.gz PWDGYCIGRGTWKU-DGCLKSJQSA-N 1 0 222.332 1.411 10 30 BDEERO CC(C)[C@H](C#CC(=O)OC(C)(C)C)C[NH3+] ZINC000685954387 538897793 /nfs/dbraw/zinc/89/77/93/538897793.db2.gz WGLOXEMKKVARTN-SNVBAGLBSA-N 1 0 211.305 1.562 10 30 BDEERO CC[NH2+]C[C@H](C)C#CC(=O)OC(C)(C)C ZINC000685953770 538898382 /nfs/dbraw/zinc/89/83/82/538898382.db2.gz PVMRQLWBZFEEBG-SNVBAGLBSA-N 1 0 211.305 1.577 10 30 BDEERO C[C@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953731 538898548 /nfs/dbraw/zinc/89/85/48/538898548.db2.gz PFHCCMFGJTUDDU-NXEZZACHSA-N 1 0 209.289 1.330 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1[C@H]2CC[NH2+]C[C@@H]12 ZINC000685954471 538899305 /nfs/dbraw/zinc/89/93/05/538899305.db2.gz XRMWMGHTDRSVRW-MXWKQRLJSA-N 1 0 221.300 1.187 10 30 BDEERO C=CC[C@@H]1CCN(CC(F)(F)CN)C1 ZINC000685956889 538901879 /nfs/dbraw/zinc/90/18/79/538901879.db2.gz IVKAIGHOHYXYAE-SECBINFHSA-N 1 0 204.264 1.478 10 30 BDEERO Cc1cc(C)n(Cc2ccccc2C#CC[NH3+])n1 ZINC000049610094 177931123 /nfs/dbraw/zinc/93/11/23/177931123.db2.gz KOVPKTNIZSZRDA-UHFFFAOYSA-N 1 0 239.322 1.858 10 30 BDEERO CC[C@H]1CC[C@H](C#CC(=O)OC(C)(C)C)[NH2+]1 ZINC000685952797 538896950 /nfs/dbraw/zinc/89/69/50/538896950.db2.gz DCITZMFTIGPWQH-WDEREUQCSA-N 1 0 223.316 1.862 10 30 BDEERO C[C@@H]1C[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953348 538897143 /nfs/dbraw/zinc/89/71/43/538897143.db2.gz LRANWJVQSRLORF-GHMZBOCLSA-N 1 0 223.316 1.577 10 30 BDEERO N#Cc1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382478173 398173485 /nfs/dbraw/zinc/17/34/85/398173485.db2.gz UTTAKWOGSALCFT-ZJUUUORDSA-N 1 0 216.288 1.493 10 30 BDEERO N#Cc1ccncc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382482322 398173614 /nfs/dbraw/zinc/17/36/14/398173614.db2.gz XLDOZDBYTCEPIK-ONGXEEELSA-N 1 0 216.288 1.493 10 30 BDEERO N#CCCCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000308959229 136217210 /nfs/dbraw/zinc/21/72/10/136217210.db2.gz FLBQATKQZKSBNN-LBPRGKRZSA-N 1 0 208.305 1.935 10 30 BDEERO C=C(C)CC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309522136 136219066 /nfs/dbraw/zinc/21/90/66/136219066.db2.gz BVQHRAVDRBBJNE-LLVKDONJSA-N 1 0 222.332 1.744 10 30 BDEERO COc1ccnc(C2(C#N)CC[NH2+]CC2)c1 ZINC000198943506 136221641 /nfs/dbraw/zinc/22/16/41/136221641.db2.gz UMIDNOVOIDXWIG-UHFFFAOYSA-N 1 0 217.272 1.235 10 30 BDEERO Cc1ccc(-c2csc(NC(N)=[NH2+])n2)[nH]1 ZINC000027633704 178330434 /nfs/dbraw/zinc/33/04/34/178330434.db2.gz YENQJUFNYDDGFN-UHFFFAOYSA-N 1 0 221.289 1.352 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000320836392 342741949 /nfs/dbraw/zinc/74/19/49/342741949.db2.gz KQZWPPHGNYOJSU-NXEZZACHSA-N 1 0 244.342 1.980 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000320159836 342732673 /nfs/dbraw/zinc/73/26/73/342732673.db2.gz VPHNNHVCHRDYQJ-SFYZADRCSA-N 1 0 249.274 1.399 10 30 BDEERO COc1cc(CC#N)c(CC[NH3+])cc1OC ZINC000149981938 342794710 /nfs/dbraw/zinc/79/47/10/342794710.db2.gz SWYAZVBIJWHFKL-UHFFFAOYSA-N 1 0 220.272 1.271 10 30 BDEERO CNC(=[NH+]N)c1ccc(F)cc1Cl ZINC000042035160 361927824 /nfs/dbraw/zinc/92/78/24/361927824.db2.gz JLHQWAHEOCZRIV-UHFFFAOYSA-N 1 0 201.632 1.319 10 30 BDEERO CN1CC[NH+]=C1NCC=C(Cl)Cl ZINC000407389332 343000877 /nfs/dbraw/zinc/00/08/77/343000877.db2.gz AYSFKTIZPJNZHD-UHFFFAOYSA-N 1 0 208.092 1.196 10 30 BDEERO CC[C@H]([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000234028780 343065922 /nfs/dbraw/zinc/06/59/22/343065922.db2.gz AINPFCOSXNSMIU-YFKPBYRVSA-N 1 0 230.724 1.817 10 30 BDEERO C=CC[C@H]1C(=O)OC[C@H]1[NH2+]Cc1ccccc1 ZINC000013558754 343094383 /nfs/dbraw/zinc/09/43/83/343094383.db2.gz YHBUFSVMAUABHW-CHWSQXEVSA-N 1 0 231.295 1.894 10 30 BDEERO C=CC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801459 136363562 /nfs/dbraw/zinc/36/35/62/136363562.db2.gz PXOUQPCWGNLLOW-UHFFFAOYSA-N 1 0 232.331 1.483 10 30 BDEERO N#Cc1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616622052 343525271 /nfs/dbraw/zinc/52/52/71/343525271.db2.gz ZYOHKPVWGGNVEH-AWEZNQCLSA-N 1 0 229.327 1.696 10 30 BDEERO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1 ZINC000310801064 343578450 /nfs/dbraw/zinc/57/84/50/343578450.db2.gz XFKBTIQNHDJICA-JSGCOSHPSA-N 1 0 242.326 1.518 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C#N)ncn1 ZINC000310696079 343561839 /nfs/dbraw/zinc/56/18/39/343561839.db2.gz PMYMRGRBBMIUTM-JQWIXIFHSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@H](C#N)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000379806801 343630944 /nfs/dbraw/zinc/63/09/44/343630944.db2.gz OCKZVHXUCJHYBH-IJLUTSLNSA-N 1 0 210.321 1.629 10 30 BDEERO CC#CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023382 343693670 /nfs/dbraw/zinc/69/36/70/343693670.db2.gz BWEQNSLDTHGKRV-CHWSQXEVSA-N 1 0 207.317 1.637 10 30 BDEERO C[NH+](C)Cc1ccc(C#CCCO)s1 ZINC000043679275 343698973 /nfs/dbraw/zinc/69/89/73/343698973.db2.gz QMJXKLPNLQWYSS-UHFFFAOYSA-N 1 0 209.314 1.544 10 30 BDEERO O=CC1(C[NH+]2CCC(O)CC2)CCCC1 ZINC000051175170 346974192 /nfs/dbraw/zinc/97/41/92/346974192.db2.gz ACVGOBAJHXSPQK-UHFFFAOYSA-N 1 0 211.305 1.202 10 30 BDEERO O=CC1(C[NH+]2CCSCC2)CCCC1 ZINC000051176193 346975232 /nfs/dbraw/zinc/97/52/32/346975232.db2.gz VBOLKCKWVXZJJT-UHFFFAOYSA-N 1 0 213.346 1.795 10 30 BDEERO O=C[C@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051175448 346975344 /nfs/dbraw/zinc/97/53/44/346975344.db2.gz DRCKLAYQYSDNNY-GFCCVEGCSA-N 1 0 211.305 1.468 10 30 BDEERO C[C@](C#N)(Cc1ccccc1)N1CC(C[NH3+])C1 ZINC000409438950 343846024 /nfs/dbraw/zinc/84/60/24/343846024.db2.gz FDKJEHQNJKUUIA-CQSZACIVSA-N 1 0 229.327 1.402 10 30 BDEERO C[NH2+]C1CN([C@H](C#N)c2ccccc2)C1 ZINC000409439450 343847412 /nfs/dbraw/zinc/84/74/12/343847412.db2.gz HOOZZYYSRSFJSZ-GFCCVEGCSA-N 1 0 201.273 1.155 10 30 BDEERO C#CCn1nc(-c2cccnc2)cc1CC[NH3+] ZINC000409443627 343862310 /nfs/dbraw/zinc/86/23/10/343862310.db2.gz QOTUPQVCTOISGJ-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO C#CCOc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000045946412 166198470 /nfs/dbraw/zinc/19/84/70/166198470.db2.gz ZULIWGOKXSDWSM-UHFFFAOYSA-N 1 0 232.327 1.350 10 30 BDEERO C=C(Br)CN(C)C1CC([NH3+])C1 ZINC000307462834 343937206 /nfs/dbraw/zinc/93/72/06/343937206.db2.gz GLDLVFQGURVTDP-UHFFFAOYSA-N 1 0 219.126 1.317 10 30 BDEERO C=C(C)C[C@@H](O)[C@H]1CSCC[N@H+]1C 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344201117 /nfs/dbraw/zinc/20/11/17/344201117.db2.gz JMEBNBNSCHUKQN-ZFWWWQNUSA-N 1 0 248.370 1.801 10 30 BDEERO CCN(CC[NH3+])c1cc(Cl)ccc1C#N ZINC000165949272 344245608 /nfs/dbraw/zinc/24/56/08/344245608.db2.gz CIHLEYVBRGYITR-UHFFFAOYSA-N 1 0 223.707 1.997 10 30 BDEERO CC#CCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000158352138 344612262 /nfs/dbraw/zinc/61/22/62/344612262.db2.gz BPBYWYPSRQXIHQ-UHFFFAOYSA-N 1 0 238.331 1.609 10 30 BDEERO C=CCOCC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000310214799 344709855 /nfs/dbraw/zinc/70/98/55/344709855.db2.gz HORBLJWLGCQLCD-UONOGXRCSA-N 1 0 238.375 1.748 10 30 BDEERO C=CCOCC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000310214798 344710024 /nfs/dbraw/zinc/71/00/24/344710024.db2.gz HORBLJWLGCQLCD-KGLIPLIRSA-N 1 0 238.375 1.748 10 30 BDEERO N#Cc1cc(F)ccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390213461 259382486 /nfs/dbraw/zinc/38/24/86/259382486.db2.gz LVLSZADSJHUOMO-LBPRGKRZSA-N 1 0 249.289 1.488 10 30 BDEERO N#Cc1cc(OC(F)(F)F)cc(C[NH3+])n1 ZINC000238675076 345106788 /nfs/dbraw/zinc/10/67/88/345106788.db2.gz RQUXSXWIIPVKFY-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO CC#CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000156494578 345168236 /nfs/dbraw/zinc/16/82/36/345168236.db2.gz XQUNHTCZHWWKCR-CQSZACIVSA-N 1 0 230.311 1.948 10 30 BDEERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000300383353 345809239 /nfs/dbraw/zinc/80/92/39/345809239.db2.gz OWOUPIUTUHXUJH-QCNOEVLYSA-N 1 0 208.305 1.693 10 30 BDEERO Cc1cnn(CC[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000235954071 346175175 /nfs/dbraw/zinc/17/51/75/346175175.db2.gz NRENPVLVXXDWQU-OLZOCXBDSA-N 1 0 232.331 1.864 10 30 BDEERO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000300370953 346530936 /nfs/dbraw/zinc/53/09/36/346530936.db2.gz HSHWQCOAEMYCBO-SRVKXCTJSA-N 1 0 210.321 1.819 10 30 BDEERO C#CC[NH2+][C@@H]1CCCCCC[C@H]1C(=O)OC ZINC000390496742 259390953 /nfs/dbraw/zinc/39/09/53/259390953.db2.gz SGHBMOKTZYRJAL-VXGBXAGGSA-N 1 0 223.316 1.721 10 30 BDEERO Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2C#N)cn1 ZINC000128314899 346779893 /nfs/dbraw/zinc/77/98/93/346779893.db2.gz STRIRKJLYZRVDN-STQMWFEESA-N 1 0 232.331 1.635 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000378668663 346804063 /nfs/dbraw/zinc/80/40/63/346804063.db2.gz IHHNXDKMKAFHGP-WISYIIOYSA-N 1 0 208.305 1.836 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccnc(C#N)c1 ZINC000092631323 347216189 /nfs/dbraw/zinc/21/61/89/347216189.db2.gz VKBRLOLUSIXOPO-CQSZACIVSA-N 1 0 244.342 1.874 10 30 BDEERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCC(C)(C)C#N)C1 ZINC000310122974 347236463 /nfs/dbraw/zinc/23/64/63/347236463.db2.gz IMYRZXMQVSHULA-NWDGAFQWSA-N 1 0 240.347 1.398 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)c(C)n2)CC[C@@H]1[NH3+] ZINC000311191902 347373647 /nfs/dbraw/zinc/37/36/47/347373647.db2.gz GBCCCLTVZYKKHT-YPMHNXCESA-N 1 0 244.342 1.825 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000063093356 347506614 /nfs/dbraw/zinc/50/66/14/347506614.db2.gz HRFUFPCSUNYZIN-GHMZBOCLSA-N 1 0 223.320 1.137 10 30 BDEERO Cc1cc(C#N)cc(N2CCC(C)([NH3+])CC2)n1 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/nfs/dbraw/zinc/14/97/61/351149761.db2.gz XQPBJKDZNQUKRS-LURJTMIESA-N 1 0 240.104 1.860 10 30 BDEERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1C#N ZINC000616637848 351135883 /nfs/dbraw/zinc/13/58/83/351135883.db2.gz RHQDQAULQUYEIP-AWEZNQCLSA-N 1 0 229.327 1.913 10 30 BDEERO CC[N@@H+]1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616659622 351208190 /nfs/dbraw/zinc/20/81/90/351208190.db2.gz LRBDIJXTQFNURR-CYBMUJFWSA-N 1 0 230.311 1.994 10 30 BDEERO N#Cc1ccccc1[C@H]1CCN(CC[NH3+])CCO1 ZINC000616666132 351225730 /nfs/dbraw/zinc/22/57/30/351225730.db2.gz IAGOCDFTCMSDOU-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C ZINC000168318750 351376129 /nfs/dbraw/zinc/37/61/29/351376129.db2.gz GXTFRJPOGZRBPD-UTLUCORTSA-N 1 0 247.180 1.953 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1cnc(C#N)cn1 ZINC000133615920 351400250 /nfs/dbraw/zinc/40/02/50/351400250.db2.gz BXWBTAKGJCUQKC-NSHDSACASA-N 1 0 233.319 1.158 10 30 BDEERO C=CC[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000034937577 351352115 /nfs/dbraw/zinc/35/21/15/351352115.db2.gz WTZQVSJBMWRPNP-LLVKDONJSA-N 1 0 210.321 1.553 10 30 BDEERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[C@H]1CO1 ZINC000307021489 351429936 /nfs/dbraw/zinc/42/99/36/351429936.db2.gz XCNPSEJSQAYHKH-TUAOUCFPSA-N 1 0 211.305 1.419 10 30 BDEERO Cc1cc(C#N)nc(N2CCC(CC[NH3+])CC2)n1 ZINC000231942983 351475508 /nfs/dbraw/zinc/47/55/08/351475508.db2.gz QMSRNRXYAPZWFT-UHFFFAOYSA-N 1 0 245.330 1.222 10 30 BDEERO SCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000307167354 351537381 /nfs/dbraw/zinc/53/73/81/351537381.db2.gz RINRXRLCMMCGAN-UHFFFAOYSA-N 1 0 201.335 1.419 10 30 BDEERO Cc1cnn(CC[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000336735730 351917844 /nfs/dbraw/zinc/91/78/44/351917844.db2.gz LYXBBXNCOQPCMC-NWDGAFQWSA-N 1 0 218.304 1.473 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019946961 187590100 /nfs/dbraw/zinc/59/01/00/187590100.db2.gz STQRUMPVUNXONU-OAHLLOKOSA-N 1 0 241.338 1.742 10 30 BDEERO CC(C)[C@H](C#N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000044825961 187606979 /nfs/dbraw/zinc/60/69/79/187606979.db2.gz PKZIJNMEPFZZHJ-MNOVXSKESA-N 1 0 225.336 1.239 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638454828 352264411 /nfs/dbraw/zinc/26/44/11/352264411.db2.gz LJUPUCQDQSRURD-QWRGUYRKSA-N 1 0 224.348 1.832 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000638471504 352281736 /nfs/dbraw/zinc/28/17/36/352281736.db2.gz FSLSWESDVXWJBV-UPJWGTAASA-N 1 0 236.359 1.799 10 30 BDEERO C[C@H](CCC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000411397803 191181247 /nfs/dbraw/zinc/18/12/47/191181247.db2.gz ZWUIYYZJDVSOQX-CHWSQXEVSA-N 1 0 221.348 1.849 10 30 BDEERO CC(C)(C=O)[N@@H+]1CCSC(C)(C)C1 ZINC000307392729 352569250 /nfs/dbraw/zinc/56/92/50/352569250.db2.gz ZPKLXGSEABMLFJ-UHFFFAOYSA-N 1 0 201.335 1.791 10 30 BDEERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000336753161 353100572 /nfs/dbraw/zinc/10/05/72/353100572.db2.gz DVCJXMJIEXFVGC-XQQFMLRXSA-N 1 0 221.348 1.753 10 30 BDEERO C[C@@H]1CN(c2ncccc2C#N)C[C@@]1(C)C[NH3+] ZINC000383448860 353137269 /nfs/dbraw/zinc/13/72/69/353137269.db2.gz JFVVOXMBKYIEBT-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccccc1F ZINC000057527091 166374841 /nfs/dbraw/zinc/37/48/41/166374841.db2.gz BROGADPRXDUXNT-SNVBAGLBSA-N 1 0 236.290 1.560 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473512 188231927 /nfs/dbraw/zinc/23/19/27/188231927.db2.gz YMKCNTXKTVDCTD-JTQLQIEISA-N 1 0 234.274 1.053 10 30 BDEERO Cc1ccccc1C[N@H+](C)CC/C(N)=N/O ZINC000019834085 188281690 /nfs/dbraw/zinc/28/16/90/188281690.db2.gz GTPHHHGQCYGDBJ-UHFFFAOYSA-N 1 0 221.304 1.563 10 30 BDEERO CC(C)([NH3+])C(=O)Nc1ccccc1C#N ZINC000019672699 188281821 /nfs/dbraw/zinc/28/18/21/188281821.db2.gz BPUUMQLFLHPWEK-UHFFFAOYSA-N 1 0 203.245 1.234 10 30 BDEERO N#CCNC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038159 188282234 /nfs/dbraw/zinc/28/22/34/188282234.db2.gz LCNOPDOZXXTIOM-UHFFFAOYSA-N 1 0 247.342 1.185 10 30 BDEERO C#CC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000037859500 188326477 /nfs/dbraw/zinc/32/64/77/188326477.db2.gz QNPUQROFSCXIBZ-LLVKDONJSA-N 1 0 209.676 1.596 10 30 BDEERO C#CCOc1ccc(OC)cc1C[C@H]([NH3+])CC ZINC000037722757 188326636 /nfs/dbraw/zinc/32/66/36/188326636.db2.gz GSIMNPXGKLEONQ-GFCCVEGCSA-N 1 0 233.311 1.987 10 30 BDEERO CC#CCC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000155341651 188330200 /nfs/dbraw/zinc/33/02/00/188330200.db2.gz XIWGAFABURCEPE-ZDUSSCGKSA-N 1 0 246.358 1.891 10 30 BDEERO C[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000398972282 353400769 /nfs/dbraw/zinc/40/07/69/353400769.db2.gz AWRAJQGNJWTXND-PWSUYJOCSA-N 1 0 230.315 1.374 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1cccc(C)c1 ZINC000076615055 166385128 /nfs/dbraw/zinc/38/51/28/166385128.db2.gz SWTAHSLNDJWXHP-ZDUSSCGKSA-N 1 0 232.327 1.730 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC1(C#N)CC1 ZINC000343313960 353625248 /nfs/dbraw/zinc/62/52/48/353625248.db2.gz LEHLMOBFCVWUAK-GFCCVEGCSA-N 1 0 221.348 1.706 10 30 BDEERO C=C[C@@H](C)Nc1ncnc2c1CN(C)CC2 ZINC000336781586 353670950 /nfs/dbraw/zinc/67/09/50/353670950.db2.gz VBOYXJYCYYXNFJ-SECBINFHSA-N 1 0 218.304 1.451 10 30 BDEERO N#CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732806 181043765 /nfs/dbraw/zinc/04/37/65/181043765.db2.gz RKVINMXZRQBVHU-LBPRGKRZSA-N 1 0 202.257 1.925 10 30 BDEERO N#C[C@H](c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000019401415 181067001 /nfs/dbraw/zinc/06/70/01/181067001.db2.gz MJKXXJZENQBJCR-GFCCVEGCSA-N 1 0 237.253 1.435 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1NCC[NH+]1CCCC1 ZINC000054830124 181059159 /nfs/dbraw/zinc/05/91/59/181059159.db2.gz CYBQMYKIAADNHJ-QWHCGFSZSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000061892836 181059543 /nfs/dbraw/zinc/05/95/43/181059543.db2.gz ZRCKVNQXHMOLLZ-PAPNWUEJSA-N 1 0 226.345 1.179 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000336666683 181059951 /nfs/dbraw/zinc/05/99/51/181059951.db2.gz PYLOYGDGCAZLCU-GXSJLCMTSA-N 1 0 238.722 1.818 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036158261 181074466 /nfs/dbraw/zinc/07/44/66/181074466.db2.gz YBAWQOFORWITNH-GFCCVEGCSA-N 1 0 247.273 1.778 10 30 BDEERO N#Cc1c(F)cccc1NC1CC([NH3+])C1 ZINC000036268721 181075922 /nfs/dbraw/zinc/07/59/22/181075922.db2.gz UCCLWCZUWROAQU-UHFFFAOYSA-N 1 0 205.236 1.599 10 30 BDEERO N#Cc1cc(CC[NH3+])cc(Br)n1 ZINC000095767962 181084736 /nfs/dbraw/zinc/08/47/36/181084736.db2.gz IOFJWAHQECRDBD-UHFFFAOYSA-N 1 0 226.077 1.217 10 30 BDEERO N#Cc1cc(CC[NH3+])nc(C(F)(F)F)c1 ZINC000095767840 181085103 /nfs/dbraw/zinc/08/51/03/181085103.db2.gz YSRYGUWLUACEET-UHFFFAOYSA-N 1 0 215.178 1.473 10 30 BDEERO N#Cc1cc(C(F)(F)F)ccc1OCC[NH3+] ZINC000051870030 181085219 /nfs/dbraw/zinc/08/52/19/181085219.db2.gz APSARVYAKWVZEZ-UHFFFAOYSA-N 1 0 230.189 1.915 10 30 BDEERO N#Cc1cc(Cl)ccc1N[C@@H]1C[C@H]1[NH3+] ZINC000052858518 181086855 /nfs/dbraw/zinc/08/68/55/181086855.db2.gz ROKCKASRTJUNLN-PSASIEDQSA-N 1 0 207.664 1.723 10 30 BDEERO C=CCSCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000231944389 363358756 /nfs/dbraw/zinc/35/87/56/363358756.db2.gz WCHVVFFPPWPPDG-GHMZBOCLSA-N 1 0 215.362 1.799 10 30 BDEERO N#Cc1cc2c(nc1OC[C@H]1CCC[NH2+]1)CCC2 ZINC000051866553 181094147 /nfs/dbraw/zinc/09/41/47/181094147.db2.gz MDKJWPYJIJOOBJ-GFCCVEGCSA-N 1 0 243.310 1.573 10 30 BDEERO N#Cc1cc(N[C@H]2CCC[NH2+]C2)ccc1F ZINC000051636235 181091957 /nfs/dbraw/zinc/09/19/57/181091957.db2.gz MTEYYJCLQZUNAA-NSHDSACASA-N 1 0 219.263 1.861 10 30 BDEERO C=CC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000334649076 354440282 /nfs/dbraw/zinc/44/02/82/354440282.db2.gz VJMNUXKIHRNDHS-ZYHUDNBSSA-N 1 0 222.332 1.267 10 30 BDEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000051866333 181128941 /nfs/dbraw/zinc/12/89/41/181128941.db2.gz MRKFHAFXAFNMHT-JTQLQIEISA-N 1 0 220.247 1.828 10 30 BDEERO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000052013043 181144972 /nfs/dbraw/zinc/14/49/72/181144972.db2.gz GEMDYTPWSXRLDB-ZIAGYGMSSA-N 1 0 230.311 1.951 10 30 BDEERO N#Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000052013045 181145281 /nfs/dbraw/zinc/14/52/81/181145281.db2.gz GEMDYTPWSXRLDB-UONOGXRCSA-N 1 0 230.311 1.951 10 30 BDEERO N#Cc1ccccc1NC(=O)C1(C[NH3+])CC1 ZINC000077307240 181147800 /nfs/dbraw/zinc/14/78/00/181147800.db2.gz GDMRSUZQGGCAIH-UHFFFAOYSA-N 1 0 215.256 1.236 10 30 BDEERO C=CC[NH2+]CC[C@@H](O)c1ccc(F)c(N)c1 ZINC000098124918 166399147 /nfs/dbraw/zinc/39/91/47/166399147.db2.gz VSFIDVCORIPZOO-GFCCVEGCSA-N 1 0 224.279 1.607 10 30 BDEERO N#Cc1ncccc1C[NH2+]CC1CCOCC1 ZINC000104189134 181170618 /nfs/dbraw/zinc/17/06/18/181170618.db2.gz JMMFLBWPCDPHKB-UHFFFAOYSA-N 1 0 231.299 1.469 10 30 BDEERO NC(=O)CN1CCC/C1=[NH+]/Cc1ccccc1 ZINC000017208417 181230355 /nfs/dbraw/zinc/23/03/55/181230355.db2.gz IVTQAAOFIDMLKO-SQFISAMPSA-N 1 0 231.299 1.166 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@H](C)C[NH3+])n1 ZINC000420217630 192193866 /nfs/dbraw/zinc/19/38/66/192193866.db2.gz OETRFSPULSOAPV-MRVPVSSYSA-N 1 0 218.304 1.577 10 30 BDEERO N#Cc1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000578122699 366280706 /nfs/dbraw/zinc/28/07/06/366280706.db2.gz FZHCTZBGNDSKGA-CQSZACIVSA-N 1 0 242.326 1.533 10 30 BDEERO C=CCOCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000304268975 134159785 /nfs/dbraw/zinc/15/97/85/134159785.db2.gz VJQAQRIRWONYFV-STQMWFEESA-N 1 0 224.348 1.358 10 30 BDEERO Cn1c(C#N)ncc1C[NH2+]Cc1ccccc1 ZINC000685948382 538890878 /nfs/dbraw/zinc/89/08/78/538890878.db2.gz LFEQYYVRZGTHLE-UHFFFAOYSA-N 1 0 226.283 1.582 10 30 BDEERO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2/C(N)=N/O)O1 ZINC000232006001 357638889 /nfs/dbraw/zinc/63/88/89/357638889.db2.gz JKDIPJIXPWAIQG-OUAUKWLOSA-N 1 0 241.335 1.155 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000168951548 358000594 /nfs/dbraw/zinc/00/05/94/358000594.db2.gz UYBGGQBXIAJGEV-BDAKNGLRSA-N 1 0 233.153 1.707 10 30 BDEERO N#CCCOC[C@@H]([NH3+])Cc1ccccc1 ZINC000584610759 358274694 /nfs/dbraw/zinc/27/46/94/358274694.db2.gz FDSYYCBMYBXBAS-LBPRGKRZSA-N 1 0 204.273 1.487 10 30 BDEERO C=CC[NH2+]C[C@H](O)[C@@H]1CCc2ccccc2O1 ZINC000584626616 358295717 /nfs/dbraw/zinc/29/57/17/358295717.db2.gz VUNDEVOKFIWHHG-JSGCOSHPSA-N 1 0 233.311 1.517 10 30 BDEERO N#Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccn1 ZINC000610994831 358422213 /nfs/dbraw/zinc/42/22/13/358422213.db2.gz NWIPEWZHNWSHPI-AAEUAGOBSA-N 1 0 213.284 1.938 10 30 BDEERO N#CCCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000049752507 358699203 /nfs/dbraw/zinc/69/92/03/358699203.db2.gz AEGYHBMIEAIJHM-ZDUSSCGKSA-N 1 0 249.358 1.625 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1cccc(C#N)n1 ZINC000133629114 358762427 /nfs/dbraw/zinc/76/24/27/358762427.db2.gz LVDINZKJPZJXPY-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO CC[C@](C)(C#N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000136249237 358870851 /nfs/dbraw/zinc/87/08/51/358870851.db2.gz ZCNBJWLCKQWELU-WCQYABFASA-N 1 0 237.347 1.336 10 30 BDEERO CC(C)(C#N)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604331 358935227 /nfs/dbraw/zinc/93/52/27/358935227.db2.gz UXYDZXNNKVRBID-UHFFFAOYSA-N 1 0 235.331 1.233 10 30 BDEERO CC[NH+]1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891103 358936016 /nfs/dbraw/zinc/93/60/16/358936016.db2.gz LPXXJPBFDPCHNL-DGCLKSJQSA-N 1 0 221.348 1.753 10 30 BDEERO N#Cc1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000069637442 359687641 /nfs/dbraw/zinc/68/76/41/359687641.db2.gz KODTZBMIYYIIOM-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO C[C@@H]1C[C@H]1NC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083032386 359783725 /nfs/dbraw/zinc/78/37/25/359783725.db2.gz UPNGAOKVSLFKBE-YUSALJHKSA-N 1 0 245.326 1.823 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC000092630828 360186870 /nfs/dbraw/zinc/18/68/70/360186870.db2.gz VFGYXVZVGGHJMC-WDEREUQCSA-N 1 0 223.320 1.089 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000306557211 360430187 /nfs/dbraw/zinc/43/01/87/360430187.db2.gz NOTASFJJNYPKQC-LPEHRKFASA-N 1 0 203.351 1.662 10 30 BDEERO C[C@@H]1CC[N@H+](C[C@@]2(C=O)CCOC2)[C@@H]1C ZINC000306560002 360435219 /nfs/dbraw/zinc/43/52/19/360435219.db2.gz RDEHFIPUNXACDK-IJLUTSLNSA-N 1 0 211.305 1.322 10 30 BDEERO NC(=[NH2+])Nc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000013219331 181324630 /nfs/dbraw/zinc/32/46/30/181324630.db2.gz XEBPUCFKEPJQFT-UHFFFAOYSA-N 1 0 244.085 1.775 10 30 BDEERO CC(C)(C#N)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000162900278 361370093 /nfs/dbraw/zinc/37/00/93/361370093.db2.gz HAWMLXPXYJUCIA-LLVKDONJSA-N 1 0 210.321 1.631 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2ccnc2)cc1 ZINC000049610070 181346255 /nfs/dbraw/zinc/34/62/55/181346255.db2.gz WORNEELTLMPNIM-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1C(=O)NC1CC1 ZINC000037569871 181346852 /nfs/dbraw/zinc/34/68/52/181346852.db2.gz HUMAWXLKBBNVHZ-UHFFFAOYSA-N 1 0 232.258 1.028 10 30 BDEERO [NH3+]CC#Cc1ccccc1COC1CCOCC1 ZINC000049611155 181346891 /nfs/dbraw/zinc/34/68/91/181346891.db2.gz LADVOENYQWLBOF-UHFFFAOYSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1ccc(C(=O)Nc2cnoc2)cc1 ZINC000061685829 181346553 /nfs/dbraw/zinc/34/65/53/181346553.db2.gz LRYCPVSOJPDHLV-UHFFFAOYSA-N 1 0 241.250 1.237 10 30 BDEERO [NH3+]CC#Cc1ccc(C(=O)NC2CCC2)cc1F ZINC000052214101 181346562 /nfs/dbraw/zinc/34/65/62/181346562.db2.gz OJHKFYPZXVPLCY-UHFFFAOYSA-N 1 0 246.285 1.418 10 30 BDEERO [NH3+]CC#Cc1ccccc1NC(=O)c1ccoc1 ZINC000037550889 181347759 /nfs/dbraw/zinc/34/77/59/181347759.db2.gz XCLKVYVQIFHVKT-UHFFFAOYSA-N 1 0 240.262 1.842 10 30 BDEERO [NH3+]CC#Cc1ccccc1Cn1cccn1 ZINC000049610050 181348415 /nfs/dbraw/zinc/34/84/15/181348415.db2.gz NBSUZEFTEVWJRI-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO C=C(Cl)CN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C ZINC000252560904 363892190 /nfs/dbraw/zinc/89/21/90/363892190.db2.gz UHYSNCHXNPPQFH-GUBZILKMSA-N 1 0 200.713 1.279 10 30 BDEERO Cc1ccc(C#N)c(NCCOCCC[NH3+])n1 ZINC000600955911 364374603 /nfs/dbraw/zinc/37/46/03/364374603.db2.gz UIFLUPFYOXUCLF-UHFFFAOYSA-N 1 0 234.303 1.039 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1F ZINC000600962825 364398082 /nfs/dbraw/zinc/39/80/82/364398082.db2.gz NHXIPSBBAUQMDT-WCBMZHEXSA-N 1 0 219.263 1.623 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384303879 367682886 /nfs/dbraw/zinc/68/28/86/367682886.db2.gz ZUEWMRSSXCAISN-NWDGAFQWSA-N 1 0 222.332 1.575 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384442869 367691508 /nfs/dbraw/zinc/69/15/08/367691508.db2.gz ZGRVUBUXHUURAY-AXFHLTTASA-N 1 0 210.321 1.455 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384442870 367691730 /nfs/dbraw/zinc/69/17/30/367691730.db2.gz ZGRVUBUXHUURAY-DCAQKATOSA-N 1 0 210.321 1.455 10 30 BDEERO COCCOCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054827912 369101245 /nfs/dbraw/zinc/10/12/45/369101245.db2.gz REHNLPRBANDREU-NEPJUHHUSA-N 1 0 226.320 1.321 10 30 BDEERO CCC(O)(CC)C[NH+]1CCC(C#N)CC1 ZINC000165472979 203385409 /nfs/dbraw/zinc/38/54/09/203385409.db2.gz JBLRFNIEJNTTTG-UHFFFAOYSA-N 1 0 210.321 1.773 10 30 BDEERO Cc1ccnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1C#N ZINC000600956246 369575220 /nfs/dbraw/zinc/57/52/20/369575220.db2.gz YHGWRWUDZFKVFX-MNOVXSKESA-N 1 0 230.315 1.814 10 30 BDEERO C[C@H]1CN(c2cccc(F)c2C#N)C[C@H]1C[NH3+] ZINC000600961493 369580261 /nfs/dbraw/zinc/58/02/61/369580261.db2.gz ROYSBMJTGGBQON-VHSXEESVSA-N 1 0 233.290 1.728 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000600961904 369580389 /nfs/dbraw/zinc/58/03/89/369580389.db2.gz WQEKHVRGWYLQIC-SKDRFNHKSA-N 1 0 230.315 1.293 10 30 BDEERO Cc1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1C#N ZINC000600960834 369580432 /nfs/dbraw/zinc/58/04/32/369580432.db2.gz DREZTRGXULPFST-QWRGUYRKSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000600963478 369580567 /nfs/dbraw/zinc/58/05/67/369580567.db2.gz VOEVOACFRIVSPZ-CBAPKCEASA-N 1 0 237.253 1.762 10 30 BDEERO Cc1nc(N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC000600961730 369580777 /nfs/dbraw/zinc/58/07/77/369580777.db2.gz RKVIVHLSFQMAGT-BXKDBHETSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961515 369581488 /nfs/dbraw/zinc/58/14/88/369581488.db2.gz RXXPIETULQOYNH-ONGXEEELSA-N 1 0 233.290 1.728 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)c(C#N)cn1 ZINC000600962407 369582470 /nfs/dbraw/zinc/58/24/70/369582470.db2.gz WQVONNMRCVQOSA-BXKDBHETSA-N 1 0 230.315 1.293 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251196262 369730128 /nfs/dbraw/zinc/73/01/28/369730128.db2.gz DXQRNGCPKAAAKZ-IJLUTSLNSA-N 1 0 235.331 1.231 10 30 BDEERO C=C(CC)C[NH2+]C[C@H](O)COCCCC ZINC000313488710 370591649 /nfs/dbraw/zinc/59/16/49/370591649.db2.gz AFCBUHIQKHQYLE-LBPRGKRZSA-N 1 0 215.337 1.720 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)cc1 ZINC000070010806 371002990 /nfs/dbraw/zinc/00/29/90/371002990.db2.gz QBCRQOKASHCEBZ-GFCCVEGCSA-N 1 0 203.289 1.953 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131169117 371309467 /nfs/dbraw/zinc/30/94/67/371309467.db2.gz DEACEBKBKFAZGB-GHMZBOCLSA-N 1 0 208.305 1.573 10 30 BDEERO CC1(C)C[NH+](CCS)CC(C)(C)O1 ZINC000226453688 371671503 /nfs/dbraw/zinc/67/15/03/371671503.db2.gz GELRKVVKQSRJJG-UHFFFAOYSA-N 1 0 203.351 1.806 10 30 BDEERO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000163171153 371944097 /nfs/dbraw/zinc/94/40/97/371944097.db2.gz BCGOCZLGXDNDPD-WDEREUQCSA-N 1 0 223.320 1.185 10 30 BDEERO C#CC[C@H]([NH2+]C)[C@@H]1SCCS[C@@H]1C ZINC000228122675 371993928 /nfs/dbraw/zinc/99/39/28/371993928.db2.gz RUIATXBNOJZWMR-KXUCPTDWSA-N 1 0 215.387 1.835 10 30 BDEERO C#C[C@H]([NH2+]CC)[C@@H]1SCCS[C@@H]1C ZINC000228132665 371995172 /nfs/dbraw/zinc/99/51/72/371995172.db2.gz SBVQWBUELQYHOE-KXUCPTDWSA-N 1 0 215.387 1.835 10 30 BDEERO N[NH+]=C(N)Cc1ccc(Cl)cc1Cl ZINC000058563396 372060048 /nfs/dbraw/zinc/06/00/48/372060048.db2.gz YQZCQAPEUSWZFM-UHFFFAOYSA-N 1 0 218.087 1.767 10 30 BDEERO C[C@H]([NH3+])CC(=O)Nc1sccc1C#N ZINC000040852047 373835698 /nfs/dbraw/zinc/83/56/98/373835698.db2.gz OXEKSHGFWIPXPN-LURJTMIESA-N 1 0 209.274 1.296 10 30 BDEERO C=CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000174609466 374248696 /nfs/dbraw/zinc/24/86/96/374248696.db2.gz WUERUKPCKXPSGV-NWDGAFQWSA-N 1 0 237.347 1.441 10 30 BDEERO OCC#Cc1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000049615593 183032034 /nfs/dbraw/zinc/03/20/34/183032034.db2.gz NCIVRFUCHAKSOD-UHFFFAOYSA-N 1 0 233.286 1.765 10 30 BDEERO Oc1ccc2c(c1)[C@H](CCS)[NH2+]CC2 ZINC000083663913 183281073 /nfs/dbraw/zinc/28/10/73/183281073.db2.gz JBGXMXMGMBZWIJ-NSHDSACASA-N 1 0 209.314 1.899 10 30 BDEERO CCC[N@H+](Cc1cccnc1/C(N)=N/O)C1CC1 ZINC000061657309 169179531 /nfs/dbraw/zinc/17/95/31/169179531.db2.gz VDTOCFZZPLMULP-UHFFFAOYSA-N 1 0 248.330 1.551 10 30 BDEERO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054828230 169216757 /nfs/dbraw/zinc/21/67/57/169216757.db2.gz UZEWBWGIDUAVTD-NWDGAFQWSA-N 1 0 237.347 1.575 10 30 BDEERO CCC[NH2+]CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000044648321 169256126 /nfs/dbraw/zinc/25/61/26/169256126.db2.gz HQTMYDOSPJMMPW-LLVKDONJSA-N 1 0 245.326 1.735 10 30 BDEERO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000037808421 169500041 /nfs/dbraw/zinc/50/00/41/169500041.db2.gz OWOMXDJMWPUVDJ-ZDUSSCGKSA-N 1 0 245.326 1.644 10 30 BDEERO C#CCC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185519200 532990597 /nfs/dbraw/zinc/99/05/97/532990597.db2.gz GVLFUVYILVZUKR-LBPRGKRZSA-N 1 0 234.343 1.343 10 30 BDEERO CC(C)(C)OC(=O)[C@H](C=O)[C@@H]([NH3+])C(C)(C)C ZINC000091368764 384122997 /nfs/dbraw/zinc/12/29/97/384122997.db2.gz SQPCRWIJGQALTK-RKDXNWHRSA-N 1 0 229.320 1.517 10 30 BDEERO CC[C@H]([NH3+])CNc1nccc(C)c1C#N ZINC000135201669 384175129 /nfs/dbraw/zinc/17/51/29/384175129.db2.gz LKLOSMYKJDURFQ-VIFPVBQESA-N 1 0 204.277 1.411 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1C#N ZINC000310555466 384409725 /nfs/dbraw/zinc/40/97/25/384409725.db2.gz YCPAQSRLKOGTRM-ZETCQYMHSA-N 1 0 235.247 1.011 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000336100035 384490071 /nfs/dbraw/zinc/49/00/71/384490071.db2.gz ZCUJNYJORVICTR-RNFRBKRXSA-N 1 0 225.242 1.984 10 30 BDEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249943812 384529184 /nfs/dbraw/zinc/52/91/84/384529184.db2.gz UCKBOZZZAMPWGP-HBNTYKKESA-N 1 0 223.320 1.034 10 30 BDEERO Cc1ccnc(N[C@H](C)C[C@@H](C)[NH3+])c1C#N ZINC000320489329 384718550 /nfs/dbraw/zinc/71/85/50/384718550.db2.gz HZOOVCDCDSYRAQ-NXEZZACHSA-N 1 0 218.304 1.799 10 30 BDEERO Cc1ccnc(N[C@H](C)C[C@H](C)[NH3+])c1C#N ZINC000320489333 384718789 /nfs/dbraw/zinc/71/87/89/384718789.db2.gz HZOOVCDCDSYRAQ-VHSXEESVSA-N 1 0 218.304 1.799 10 30 BDEERO Cc1ccnc(C2(C#N)CC[NH2+]CC2)c1 ZINC000082913059 384728064 /nfs/dbraw/zinc/72/80/64/384728064.db2.gz UFFKLCLLBHOJSZ-UHFFFAOYSA-N 1 0 201.273 1.535 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)cn1 ZINC000320639927 384779857 /nfs/dbraw/zinc/77/98/57/384779857.db2.gz DNZVQTJXCSRKSC-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO C=C1C[C@H](c2ccc(NC(N)=[NH2+])cc2)CC(=O)O1 ZINC000013651065 384867081 /nfs/dbraw/zinc/86/70/81/384867081.db2.gz SWYRXMRIDBKUGK-JTQLQIEISA-N 1 0 245.282 1.926 10 30 BDEERO Cc1ccc(C#N)c(N2CCn3ccnc3C2)n1 ZINC000062255512 385110766 /nfs/dbraw/zinc/11/07/66/385110766.db2.gz WEHJLWMFVWGJEX-UHFFFAOYSA-N 1 0 239.282 1.478 10 30 BDEERO Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308237597 385411505 /nfs/dbraw/zinc/41/15/05/385411505.db2.gz HGTLIERMDHRPAA-YGRLFVJLSA-N 1 0 244.342 1.825 10 30 BDEERO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309088908 385412796 /nfs/dbraw/zinc/41/27/96/385412796.db2.gz CQIXBTCHFTYFMZ-GHMZBOCLSA-N 1 0 210.321 1.941 10 30 BDEERO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)cc(C#N)n1 ZINC000308245252 385413385 /nfs/dbraw/zinc/41/33/85/385413385.db2.gz QSVQCMLQXKYIDF-WDEREUQCSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N[C@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308245990 385413959 /nfs/dbraw/zinc/41/39/59/385413959.db2.gz UJFBXAUDPBLMCB-JTQLQIEISA-N 1 0 216.288 1.426 10 30 BDEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408337251 386127063 /nfs/dbraw/zinc/12/70/63/386127063.db2.gz FNNLNAHHHIETJI-QNWHQSFQSA-N 1 0 249.358 1.668 10 30 BDEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408337254 386127737 /nfs/dbraw/zinc/12/77/37/386127737.db2.gz FNNLNAHHHIETJI-XQHKEYJVSA-N 1 0 249.358 1.668 10 30 BDEERO C[C@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100133 386231334 /nfs/dbraw/zinc/23/13/34/386231334.db2.gz TYWPXBWKNHSUQY-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO C[NH2+]CC1CCN(c2cc(C)ncc2C#N)CC1 ZINC000398988582 386326171 /nfs/dbraw/zinc/32/61/71/386326171.db2.gz JOIISJZGTMZZMM-UHFFFAOYSA-N 1 0 244.342 1.698 10 30 BDEERO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000408368408 386394717 /nfs/dbraw/zinc/39/47/17/386394717.db2.gz HVHUOKFVPWXTRP-SRVKXCTJSA-N 1 0 237.347 1.381 10 30 BDEERO C#C[C@@H]([NH2+]Cc1c(C)nn(C)c1OC)C(C)(C)C ZINC000290225296 386590778 /nfs/dbraw/zinc/59/07/78/386590778.db2.gz SFYARXXLUOLQDR-GFCCVEGCSA-N 1 0 249.358 1.875 10 30 BDEERO C=CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000019875964 386783307 /nfs/dbraw/zinc/78/33/07/386783307.db2.gz RZTGMTPHUZNJJG-JTQLQIEISA-N 1 0 239.340 1.927 10 30 BDEERO CO[C@H]1CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000584599244 387501341 /nfs/dbraw/zinc/50/13/41/387501341.db2.gz ZYMQGXCPVOYSLS-QWHCGFSZSA-N 1 0 216.284 1.998 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424121355 387582946 /nfs/dbraw/zinc/58/29/46/387582946.db2.gz IJNLCKGGAHYOGF-VWYCJHECSA-N 1 0 223.320 1.312 10 30 BDEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424134047 387638693 /nfs/dbraw/zinc/63/86/93/387638693.db2.gz HLJQVIWQOPCHHB-ZYHUDNBSSA-N 1 0 237.347 1.702 10 30 BDEERO C=C(Cl)CN1C[C@H](C)C([NH3+])[C@@H](C)C1 ZINC000575549605 387647812 /nfs/dbraw/zinc/64/78/12/387647812.db2.gz LAXZLKNALNLJTB-YUMQZZPRSA-N 1 0 202.729 1.654 10 30 BDEERO C=CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643479545 387850671 /nfs/dbraw/zinc/85/06/71/387850671.db2.gz QKADATJGFDITRZ-NEPJUHHUSA-N 1 0 212.337 1.167 10 30 BDEERO C=C(C)C[N@@H+](C)C[C@@H](O)COCCCC ZINC000195215574 388145436 /nfs/dbraw/zinc/14/54/36/388145436.db2.gz WTVYSEDVLQOYHF-GFCCVEGCSA-N 1 0 215.337 1.672 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000132014328 388355085 /nfs/dbraw/zinc/35/50/85/388355085.db2.gz WIIMBZYZQFXZTF-LDYMZIIASA-N 1 0 206.245 1.418 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000236138724 388378803 /nfs/dbraw/zinc/37/88/03/388378803.db2.gz JSMHYEIFCUUFOT-DTWKUNHWSA-N 1 0 218.247 1.550 10 30 BDEERO C=CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000165270614 388395689 /nfs/dbraw/zinc/39/56/89/388395689.db2.gz UNHYPVXMFODMFE-CQSZACIVSA-N 1 0 244.338 1.733 10 30 BDEERO N#Cc1cccc(NCC23CC(C2)C[NH2+]3)n1 ZINC000596026326 388400458 /nfs/dbraw/zinc/40/04/58/388400458.db2.gz HIBPVDUOCQYTJH-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO Cc1cc(C)c(C#N)c(NCC23CC(C2)C[NH2+]3)n1 ZINC000596026131 388400751 /nfs/dbraw/zinc/40/07/51/388400751.db2.gz CIMQZYURDIOHKV-UHFFFAOYSA-N 1 0 242.326 1.734 10 30 BDEERO N#CCc1ccc(C[N@H+]2CC[C@@H](CCO)C2)cc1 ZINC000343544258 388501559 /nfs/dbraw/zinc/50/15/59/388501559.db2.gz XRPNMMSYTZHNPU-HNNXBMFYSA-N 1 0 244.338 1.957 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000107037952 388599154 /nfs/dbraw/zinc/59/91/54/388599154.db2.gz YKKNQSRJDLXKTL-LBPRGKRZSA-N 1 0 233.290 1.838 10 30 BDEERO Cc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1C#N ZINC000302679239 388624630 /nfs/dbraw/zinc/62/46/30/388624630.db2.gz VXDQSBBTQWIODX-LLVKDONJSA-N 1 0 230.315 1.402 10 30 BDEERO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308238324 388658534 /nfs/dbraw/zinc/65/85/34/388658534.db2.gz IHPQTFIWOYTNDA-QPUJVOFHSA-N 1 0 216.288 1.045 10 30 BDEERO C[NH2+]C[C@@H]1CCCN(c2cc(C)nc(C#N)c2)C1 ZINC000308239843 388658796 /nfs/dbraw/zinc/65/87/96/388658796.db2.gz LWZPTDZWVOTJGY-LBPRGKRZSA-N 1 0 244.342 1.698 10 30 BDEERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095075929 388757382 /nfs/dbraw/zinc/75/73/82/388757382.db2.gz DBJSFVMTFWAVNW-KGLIPLIRSA-N 1 0 230.311 1.725 10 30 BDEERO C#C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186052719 533294483 /nfs/dbraw/zinc/29/44/83/533294483.db2.gz BFSPTFCCIZUFQR-GXTWGEPZSA-N 1 0 244.338 1.297 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000235336552 132292613 /nfs/dbraw/zinc/29/26/13/132292613.db2.gz XQOXLAZRKIMAEQ-ZWNOBZJWSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C#N)nn1 ZINC000301995208 132308684 /nfs/dbraw/zinc/30/86/84/132308684.db2.gz OFWWDOVXZGSMSE-PWSUYJOCSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C#N)c(F)c1 ZINC000034575208 132336853 /nfs/dbraw/zinc/33/68/53/132336853.db2.gz QYXHWAOAYUDWFV-VHSXEESVSA-N 1 0 233.290 1.884 10 30 BDEERO Cc1ccc(C#N)c(N2CCC[C@H]([NH3+])C2)c1 ZINC000051581283 132361529 /nfs/dbraw/zinc/36/15/29/132361529.db2.gz SSDBOFGGSITIIM-LBPRGKRZSA-N 1 0 215.300 1.794 10 30 BDEERO C[C@@H]1CCN(c2cccc(C#N)n2)[C@@H](C[NH3+])C1 ZINC000235366380 132394821 /nfs/dbraw/zinc/39/48/21/132394821.db2.gz UFIOSQDTUAIVBR-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C=C(C)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309081926 133455068 /nfs/dbraw/zinc/45/50/68/133455068.db2.gz QYKCSYLIRMKCHZ-JQWIXIFHSA-N 1 0 208.305 1.209 10 30 BDEERO C=CCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180589760 133665003 /nfs/dbraw/zinc/66/50/03/133665003.db2.gz LCEKAGRPSTUCSE-OLZOCXBDSA-N 1 0 246.358 1.927 10 30 BDEERO N#C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000336450708 134147575 /nfs/dbraw/zinc/14/75/75/134147575.db2.gz GURNTVDTPSGKJP-VXGBXAGGSA-N 1 0 247.342 1.423 10 30 BDEERO C[C@H](C#N)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000361496192 134205796 /nfs/dbraw/zinc/20/57/96/134205796.db2.gz STWXSYFEEQIXHQ-RCWTZXSCSA-N 1 0 223.320 1.276 10 30 BDEERO CC#CCN1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000119165025 134225428 /nfs/dbraw/zinc/22/54/28/134225428.db2.gz PFMJZKIKQQABTC-ZDUSSCGKSA-N 1 0 224.348 1.052 10 30 BDEERO N#CCC[C@@H](C#N)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000171626784 134257265 /nfs/dbraw/zinc/25/72/65/134257265.db2.gz QWZSWCSFZKDTDV-STQMWFEESA-N 1 0 232.331 1.210 10 30 BDEERO C=C(C)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177223094 134296272 /nfs/dbraw/zinc/29/62/72/134296272.db2.gz TYPLBJMMKPVTOO-STQMWFEESA-N 1 0 224.348 1.215 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H](CCC)[NH+](C)C ZINC000179992717 134325430 /nfs/dbraw/zinc/32/54/30/134325430.db2.gz ABSSATSBKLFQJI-LBPRGKRZSA-N 1 0 224.348 1.917 10 30 BDEERO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCC[C@@H]1O ZINC000226243034 134362275 /nfs/dbraw/zinc/36/22/75/134362275.db2.gz FVZSNAWFYZXNSC-WOPDTQHZSA-N 1 0 210.321 1.771 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1nc(C)cc(C#N)n1 ZINC000231943835 134547978 /nfs/dbraw/zinc/54/79/78/134547978.db2.gz UJWPUSQZFLDVAC-SNVBAGLBSA-N 1 0 233.319 1.586 10 30 BDEERO C=CCCCCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367003326 134597378 /nfs/dbraw/zinc/59/73/78/134597378.db2.gz NKCAJVHEFLVQLM-ZDUSSCGKSA-N 1 0 240.347 1.045 10 30 BDEERO C[C@@H]([NH3+])CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130694142 134621991 /nfs/dbraw/zinc/62/19/91/134621991.db2.gz STCYQYFHDFLDNU-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131798399 134633809 /nfs/dbraw/zinc/63/38/09/134633809.db2.gz NRRHLSUPTKNVOD-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO CC#CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248393645 135001976 /nfs/dbraw/zinc/00/19/76/135001976.db2.gz LZHNEUXAIMEYFK-CHWSQXEVSA-N 1 0 206.333 1.568 10 30 BDEERO C[C@H](C#N)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248021287 135002124 /nfs/dbraw/zinc/00/21/24/135002124.db2.gz NWCZOGWLPKBHIR-WOPDTQHZSA-N 1 0 207.321 1.315 10 30 BDEERO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000070662788 135007130 /nfs/dbraw/zinc/00/71/30/135007130.db2.gz FOZNJJIBVRUHGM-VHSXEESVSA-N 1 0 213.325 1.633 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000251719867 135075312 /nfs/dbraw/zinc/07/53/12/135075312.db2.gz BYUXQIRWYPVZJZ-KKOKHZNYSA-N 1 0 208.305 1.836 10 30 BDEERO N#Cc1csc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000086500353 135088326 /nfs/dbraw/zinc/08/83/26/135088326.db2.gz UTLHHGDOVUQVNS-ZYHUDNBSSA-N 1 0 236.340 1.870 10 30 BDEERO C[C@H](C#N)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661903 135093861 /nfs/dbraw/zinc/09/38/61/135093861.db2.gz RFKVDGSQQIZBDZ-UTUOFQBUSA-N 1 0 235.331 1.231 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000259147758 135137813 /nfs/dbraw/zinc/13/78/13/135137813.db2.gz JCEGYNMGTVCFEV-LBPRGKRZSA-N 1 0 219.332 1.460 10 30 BDEERO CC1(C)CN(c2cc(C#N)ccn2)CC[C@H]1[NH3+] ZINC000261552270 135191287 /nfs/dbraw/zinc/19/12/87/135191287.db2.gz MUUBTLBQTZGYAC-LLVKDONJSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261568843 135210958 /nfs/dbraw/zinc/21/09/58/135210958.db2.gz JMGTZAPIPMJVDE-LBPRGKRZSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1ccnc(N2CC[C@H]([NH3+])C(C)(C)C2)c1C#N ZINC000261569895 135211981 /nfs/dbraw/zinc/21/19/81/135211981.db2.gz KCJZKAKSBCDSEF-LBPRGKRZSA-N 1 0 244.342 1.825 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NCc1cc(C)nc(C)n1 ZINC000261752905 135250137 /nfs/dbraw/zinc/25/01/37/135250137.db2.gz KBLRAWZHSGTDBA-QMMMGPOBSA-N 1 0 235.335 1.296 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCSC(C)(C)C1 ZINC000261758826 135250569 /nfs/dbraw/zinc/25/05/69/135250569.db2.gz CSWORCDDWBZSPW-NXEZZACHSA-N 1 0 241.404 1.798 10 30 BDEERO [NH2+]=C(NCC1(C(F)F)CC1)Nc1ccccn1 ZINC000262442970 135299522 /nfs/dbraw/zinc/29/95/22/135299522.db2.gz ICVHSFUNVIRSKN-UHFFFAOYSA-N 1 0 240.257 1.854 10 30 BDEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)N1CCC1 ZINC000263046806 135329385 /nfs/dbraw/zinc/32/93/85/135329385.db2.gz DAQBGXYMYWKEGH-UHFFFAOYSA-N 1 0 229.287 1.083 10 30 BDEERO CN1CCC[NH+]=C1NCC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263102110 135332359 /nfs/dbraw/zinc/33/23/59/135332359.db2.gz KBGXGGATDXPHGR-AGIUHOORSA-N 1 0 233.359 1.870 10 30 BDEERO C[C@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H]2C(F)F)C1 ZINC000263135577 135334573 /nfs/dbraw/zinc/33/45/73/135334573.db2.gz HZBZQWPOQRTNNU-CIUDSAMLSA-N 1 0 231.290 1.687 10 30 BDEERO [NH2+]=C(NCC#Cc1cccc(F)c1)NC1CCC1 ZINC000263173425 135336910 /nfs/dbraw/zinc/33/69/10/135336910.db2.gz SKXJHOQOOVHCPL-UHFFFAOYSA-N 1 0 245.301 1.634 10 30 BDEERO C[NH+]=C(NCc1nc(C)no1)N[C@@H](C)C(C)C ZINC000263233046 135341281 /nfs/dbraw/zinc/34/12/81/135341281.db2.gz ISBVUHKQAUBHIS-QMMMGPOBSA-N 1 0 239.323 1.088 10 30 BDEERO CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190090035 166963272 /nfs/dbraw/zinc/96/32/72/166963272.db2.gz VBVJCIGZRMUUNW-MXWKQRLJSA-N 1 0 225.336 1.114 10 30 BDEERO CC[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000407988023 397801776 /nfs/dbraw/zinc/80/17/76/397801776.db2.gz BNYNITOWXIHFJT-GARJFASQSA-N 1 0 223.320 1.135 10 30 BDEERO CC(C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037473208 167088946 /nfs/dbraw/zinc/08/89/46/167088946.db2.gz QACHKUDZNSNRRO-UHFFFAOYSA-N 1 0 216.284 1.135 10 30 BDEERO CC(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000037395479 167099667 /nfs/dbraw/zinc/09/96/67/167099667.db2.gz JBIDJXBVXJWPSW-UHFFFAOYSA-N 1 0 231.299 1.885 10 30 BDEERO C#CC[NH2+]CCN1CCc2sccc2C1 ZINC000053344032 166187510 /nfs/dbraw/zinc/18/75/10/166187510.db2.gz IFSPSRDEZQWDII-UHFFFAOYSA-N 1 0 220.341 1.329 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N(C)Cc1ccccc1F ZINC000053497026 166187697 /nfs/dbraw/zinc/18/76/97/166187697.db2.gz IEVYKHCWUVKIOM-GFCCVEGCSA-N 1 0 234.318 1.869 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]([NH3+])CCC)c1 ZINC000036873008 166222560 /nfs/dbraw/zinc/22/25/60/166222560.db2.gz UYIGOLVMTAAQLV-LBPRGKRZSA-N 1 0 216.284 1.734 10 30 BDEERO C=CCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000308890835 166267527 /nfs/dbraw/zinc/26/75/27/166267527.db2.gz XMCHRKILNFZMMH-JQWIXIFHSA-N 1 0 208.305 1.209 10 30 BDEERO C=CCCN1N=[O+]C(=O)C1c1ccccc1 ZINC000022863595 166306636 /nfs/dbraw/zinc/30/66/36/166306636.db2.gz XDTJFVDUWHVEER-UHFFFAOYSA-O 1 0 217.248 1.911 10 30 BDEERO C=CCN(C(=O)[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000062895872 166313336 /nfs/dbraw/zinc/31/33/36/166313336.db2.gz PSBWNUBBLBZSNZ-CQSZACIVSA-N 1 0 236.359 1.943 10 30 BDEERO C=CCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019519315 166390956 /nfs/dbraw/zinc/39/09/56/166390956.db2.gz RYSVPXYHNAQFNB-GARJFASQSA-N 1 0 208.305 1.209 10 30 BDEERO C=CC[NH2+]CCC(=O)c1ccc(F)c(N)c1 ZINC000098124733 166398285 /nfs/dbraw/zinc/39/82/85/166398285.db2.gz LFFKBFHSAXADGG-UHFFFAOYSA-N 1 0 222.263 1.756 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000095081794 166398738 /nfs/dbraw/zinc/39/87/38/166398738.db2.gz XZWUYKPSYHSDTB-UHFFFAOYSA-N 1 0 249.339 1.951 10 30 BDEERO C=CC[NH2+]CC[C@@H](O)c1ccc(C)c(N)c1 ZINC000098124626 166399160 /nfs/dbraw/zinc/39/91/60/166399160.db2.gz FSPULXUOBXYSBH-CYBMUJFWSA-N 1 0 220.316 1.776 10 30 BDEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190090428 166608767 /nfs/dbraw/zinc/60/87/67/166608767.db2.gz CDGMAMYEDYBFRS-OPRDCNLKSA-N 1 0 225.336 1.257 10 30 BDEERO CC(C)CN[C@]1(C#N)CCN(C2CC2)C1 ZINC000061990926 167015082 /nfs/dbraw/zinc/01/50/82/167015082.db2.gz XMAKNVXYPQWXBY-LBPRGKRZSA-N 1 0 207.321 1.362 10 30 BDEERO CC(C)[NH2+]CC(=O)Nc1ccc(CC#N)cc1 ZINC000037388953 167096839 /nfs/dbraw/zinc/09/68/39/167096839.db2.gz XJWZLSFMQSPFCP-UHFFFAOYSA-N 1 0 231.299 1.689 10 30 BDEERO CC(C)[NH2+]CCC(=O)N(CCC#N)CCC#N ZINC000037825565 167099787 /nfs/dbraw/zinc/09/97/87/167099787.db2.gz ZFUUCLOPQSEUBG-UHFFFAOYSA-N 1 0 236.319 1.030 10 30 BDEERO CC(C)N[C@](C)(C#N)CC[N@@H+]1CCCOCC1 ZINC000061933132 167143095 /nfs/dbraw/zinc/14/30/95/167143095.db2.gz ICBPHTZLCXUTHD-ZDUSSCGKSA-N 1 0 239.363 1.379 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000659358418 411374272 /nfs/dbraw/zinc/37/42/72/411374272.db2.gz IQNQGQNIKNLYCD-RYUDHWBXSA-N 1 0 240.347 1.083 10 30 BDEERO C=CCOCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659357914 411374327 /nfs/dbraw/zinc/37/43/27/411374327.db2.gz CKXOFZNLHAMJGV-GFCCVEGCSA-N 1 0 240.347 1.085 10 30 BDEERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000334581070 170013200 /nfs/dbraw/zinc/01/32/00/170013200.db2.gz VWEIDGVNSHDHHD-CYBMUJFWSA-N 1 0 243.310 1.382 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000334578401 170020829 /nfs/dbraw/zinc/02/08/29/170020829.db2.gz JFNWPJHGHDCYPY-ZDUSSCGKSA-N 1 0 243.310 1.382 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)cc1 ZINC000038043400 170112673 /nfs/dbraw/zinc/11/26/73/170112673.db2.gz ZNAYUGWNGJUYBW-UHFFFAOYSA-N 1 0 203.289 1.970 10 30 BDEERO CCN[C@@](C)(C#N)Cn1cnc(C)c1C ZINC000051928012 170154887 /nfs/dbraw/zinc/15/48/87/170154887.db2.gz PUIYXSOXCZLXAX-NSHDSACASA-N 1 0 206.293 1.392 10 30 BDEERO CCOC(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049587484 170242336 /nfs/dbraw/zinc/24/23/36/170242336.db2.gz LEEDIAWUNXMLKC-UHFFFAOYSA-N 1 0 232.283 1.243 10 30 BDEERO CC[C@@H](CC#N)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000054179858 170811029 /nfs/dbraw/zinc/81/10/29/170811029.db2.gz QMYCQJXFSALVKV-RYUDHWBXSA-N 1 0 237.347 1.575 10 30 BDEERO CC[C@H](C)[N@H+](CCOC)[C@@H](CC)C/C(N)=N/O ZINC000042583746 171315582 /nfs/dbraw/zinc/31/55/82/171315582.db2.gz PYQOQSZMSPHLMN-QWRGUYRKSA-N 1 0 245.367 1.648 10 30 BDEERO CCc1nnc(N[C@H](C)CC[NH3+])c(C#N)c1CC ZINC000336789705 172062905 /nfs/dbraw/zinc/06/29/05/172062905.db2.gz JSQVJZQUTQYNDA-SECBINFHSA-N 1 0 247.346 1.622 10 30 BDEERO C[N@H+](Cc1ccc(C#CCO)cc1F)C1CC1 ZINC000049617408 172845122 /nfs/dbraw/zinc/84/51/22/172845122.db2.gz VWRMOBPMYPHWHG-UHFFFAOYSA-N 1 0 233.286 1.764 10 30 BDEERO CN1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000042545621 173152073 /nfs/dbraw/zinc/15/20/73/173152073.db2.gz ZGJUYPUWMSUJFA-ZDUSSCGKSA-N 1 0 245.326 1.383 10 30 BDEERO C[NH2+]CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000037767222 173334805 /nfs/dbraw/zinc/33/48/05/173334805.db2.gz LIECPVRUEATLBN-UHFFFAOYSA-N 1 0 247.298 1.527 10 30 BDEERO COC1CC[NH+](CC[C@@H](C#N)NC2CC2)CC1 ZINC000062434647 174028065 /nfs/dbraw/zinc/02/80/65/174028065.db2.gz DBJLYSIMVBIQIQ-LBPRGKRZSA-N 1 0 237.347 1.131 10 30 BDEERO COCCCOCc1cccc(C#CC[NH3+])c1 ZINC000049610302 174255015 /nfs/dbraw/zinc/25/50/15/174255015.db2.gz BCHJKYIKNXCBMA-UHFFFAOYSA-N 1 0 233.311 1.550 10 30 BDEERO COCCN(c1ccc(/C(N)=N/O)cc1)C1CC1 ZINC000042518377 174302979 /nfs/dbraw/zinc/30/29/79/174302979.db2.gz BYQLKHBJEZOUSW-UHFFFAOYSA-N 1 0 249.314 1.396 10 30 BDEERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054598533 174335033 /nfs/dbraw/zinc/33/50/33/174335033.db2.gz KDLAMWRBYIJGGT-UONOGXRCSA-N 1 0 230.311 1.898 10 30 BDEERO COc1cccc([C@@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000037940497 175285900 /nfs/dbraw/zinc/28/59/00/175285900.db2.gz SYTPWUPUTZUDNS-CQSZACIVSA-N 1 0 245.326 1.555 10 30 BDEERO C[C@@H]1CCCN1C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629560 176106988 /nfs/dbraw/zinc/10/69/88/176106988.db2.gz BUPSJRFCODIWCR-LLVKDONJSA-N 1 0 243.310 1.016 10 30 BDEERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC/C(N)=N/O ZINC000019519630 176115777 /nfs/dbraw/zinc/11/57/77/176115777.db2.gz KHZPYQKIQZHQSN-NXEZZACHSA-N 1 0 213.325 1.776 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@]1(C)C[NH3+] ZINC000310385255 176318705 /nfs/dbraw/zinc/31/87/05/176318705.db2.gz QIQWDVNVLPEPRQ-BXUZGUMPSA-N 1 0 229.327 1.979 10 30 BDEERO C[C@@H]1C[C@@H](C)C[NH+](CCC/C(N)=N/O)C1 ZINC000019423926 176360623 /nfs/dbraw/zinc/36/06/23/176360623.db2.gz JANWEQOGCZETPL-NXEZZACHSA-N 1 0 213.325 1.491 10 30 BDEERO C[C@H](C#N)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037823399 176551953 /nfs/dbraw/zinc/55/19/53/176551953.db2.gz SPJAKICSBCDFOU-KPPDAEKUSA-N 1 0 223.320 1.122 10 30 BDEERO C[C@H]([NH3+])[C@@H](c1ccccc1)N(CC#N)CC#N ZINC000042900888 176766597 /nfs/dbraw/zinc/76/65/97/176766597.db2.gz WDXKNMPZCTZEKU-AAEUAGOBSA-N 1 0 228.299 1.424 10 30 BDEERO C[C@H](S)[C@@H]1[NH2+]CCc2ccc(N)cc21 ZINC000075752002 177026296 /nfs/dbraw/zinc/02/62/96/177026296.db2.gz JAEUJKOIFWFDGX-CPCISQLKSA-N 1 0 208.330 1.774 10 30 BDEERO C[C@H]1C[N@H+](CC[C@](C)(N)C#N)CC(C)(C)O1 ZINC000045708749 177253876 /nfs/dbraw/zinc/25/38/76/177253876.db2.gz YVAJEKORTJBKKQ-JQWIXIFHSA-N 1 0 225.336 1.117 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000282233982 177394085 /nfs/dbraw/zinc/39/40/85/177394085.db2.gz FSFZIXUJQJOAGP-ZWNOBZJWSA-N 1 0 243.310 1.315 10 30 BDEERO C[C@@H](C[NH3+])Nc1cc(Cl)ccc1C#N ZINC000082576099 269835477 /nfs/dbraw/zinc/83/54/77/269835477.db2.gz HBNJEBCQMLPABU-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(C#N)cn1 ZINC000398952672 267340567 /nfs/dbraw/zinc/34/05/67/267340567.db2.gz CQPZGPVVKAEUNE-WDEREUQCSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000399457834 267342405 /nfs/dbraw/zinc/34/24/05/267342405.db2.gz UHKAGLYYOITSAR-IINYFYTJSA-N 1 0 244.342 1.648 10 30 BDEERO N#Cc1ccc([C@@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536953329 323960480 /nfs/dbraw/zinc/96/04/80/323960480.db2.gz JAVCPILWCJBQPB-CYBMUJFWSA-N 1 0 230.311 1.763 10 30 BDEERO COC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000309467049 487971202 /nfs/dbraw/zinc/97/12/02/487971202.db2.gz PRHOCFJEFYOPFO-NSHDSACASA-N 1 0 221.275 1.802 10 30 BDEERO C=C(C[NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000134369632 487979718 /nfs/dbraw/zinc/97/97/18/487979718.db2.gz WZWJASVGPMOAAA-UHFFFAOYSA-N 1 0 247.338 1.831 10 30 BDEERO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)[C@@H]1CCCO1 ZINC000068752483 488128896 /nfs/dbraw/zinc/12/88/96/488128896.db2.gz AKBBZGSXXFWADN-MFKMUULPSA-N 1 0 231.299 1.610 10 30 BDEERO C=C1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000382579499 487547386 /nfs/dbraw/zinc/54/73/86/487547386.db2.gz JONOMGHNSDUFPD-UHFFFAOYSA-N 1 0 222.332 1.683 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1cccc(C#N)n1 ZINC000081597864 490285104 /nfs/dbraw/zinc/28/51/04/490285104.db2.gz ULJRDPKBBNZXTR-SNVBAGLBSA-N 1 0 204.277 1.348 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000393486631 582664558 /nfs/dbraw/zinc/66/45/58/582664558.db2.gz LFRHTOIHIJEOBR-TUAOUCFPSA-N 1 0 213.321 1.471 10 30 BDEERO C=CC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261674676 534526616 /nfs/dbraw/zinc/52/66/16/534526616.db2.gz GHJSJRSXSPITKN-CHWSQXEVSA-N 1 0 236.359 1.786 10 30 BDEERO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178482704 534658209 /nfs/dbraw/zinc/65/82/09/534658209.db2.gz OZSOBXPMVDSCEL-FOSCPWQOSA-N 1 0 222.332 1.742 10 30 BDEERO C=CCOCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173763401 534872206 /nfs/dbraw/zinc/87/22/06/534872206.db2.gz IIUMEDNPPGVLMT-LBPRGKRZSA-N 1 0 240.347 1.132 10 30 BDEERO CCCCCCC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000368490913 534984904 /nfs/dbraw/zinc/98/49/04/534984904.db2.gz QTMCOUSTHBTQGL-CYBMUJFWSA-N 1 0 242.363 1.269 10 30 BDEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1C ZINC000105861406 588226811 /nfs/dbraw/zinc/22/68/11/588226811.db2.gz QWDCTLZRFVSVBS-LBPRGKRZSA-N 1 0 230.311 1.395 10 30 BDEERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000129104835 591248756 /nfs/dbraw/zinc/24/87/56/591248756.db2.gz KCYFESODPNQEDF-JTQLQIEISA-N 1 0 246.270 1.265 10 30 BDEERO CN(CCC[NH3+])c1nc2ccccc2cc1C#N ZINC000133819214 591861656 /nfs/dbraw/zinc/86/16/56/591861656.db2.gz WPIWAOGTXIYHJB-UHFFFAOYSA-N 1 0 240.310 1.891 10 30 BDEERO C#CCCNCc1ncc(Cl)s1 ZINC000223040226 592514637 /nfs/dbraw/zinc/51/46/37/592514637.db2.gz WKWSFJJHYAZWKL-UHFFFAOYSA-N 1 0 200.694 1.909 10 30 BDEERO C[C@@H](Nc1cc(C#N)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000393888064 631224927 /nfs/dbraw/zinc/22/49/27/631224927.db2.gz VXQNQEMXBJHHKE-NXEZZACHSA-N 1 0 231.303 1.148 10 30 BDEERO Cc1cc(C#N)cc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000310566386 632758004 /nfs/dbraw/zinc/75/80/04/632758004.db2.gz XRUNEOJUNKKDLW-PWSUYJOCSA-N 1 0 230.315 1.801 10 30 BDEERO C[C@H]([NH3+])CN(C)c1c(C#N)cnc2ccccc21 ZINC000310850750 633012412 /nfs/dbraw/zinc/01/24/12/633012412.db2.gz AORPSLULJVVCAA-JTQLQIEISA-N 1 0 240.310 1.890 10 30 BDEERO C#CCOCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000309367922 633904454 /nfs/dbraw/zinc/90/44/54/633904454.db2.gz BMVVOWDBIXEWNZ-SNVBAGLBSA-N 1 0 222.263 1.521 10 30 BDEERO C[C@H]([NH3+])CN(C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000310237529 634098568 /nfs/dbraw/zinc/09/85/68/634098568.db2.gz BCXPYGWYHDAEKI-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000229193625 640931265 /nfs/dbraw/zinc/93/12/65/640931265.db2.gz HVANLRAOYVGZMC-BYHRKAOISA-N 1 0 240.372 1.569 10 30 BDEERO C[S@](=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000229184753 640931796 /nfs/dbraw/zinc/93/17/96/640931796.db2.gz WGLFPHMINOAZDB-BFVZDQMLSA-N 1 0 214.334 1.037 10 30 BDEERO CC#CCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000231374109 641163085 /nfs/dbraw/zinc/16/30/85/641163085.db2.gz BIRKWCACGUUKPQ-MNOVXSKESA-N 1 0 209.289 1.141 10 30 BDEERO C#CCCCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000173831769 641205058 /nfs/dbraw/zinc/20/50/58/641205058.db2.gz JHERRLIDWPQONR-LBPRGKRZSA-N 1 0 239.363 1.429 10 30 BDEERO C[NH2+]CCN(C)c1nc2ccccc2cc1C#N ZINC000071385698 643138607 /nfs/dbraw/zinc/13/86/07/643138607.db2.gz HBCBLOSRTFKCOY-UHFFFAOYSA-N 1 0 240.310 1.762 10 30 BDEERO C#C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000248563763 644688630 /nfs/dbraw/zinc/68/86/30/644688630.db2.gz OPRDUPRQRHUHHJ-VXGBXAGGSA-N 1 0 237.347 1.134 10 30 BDEERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000708728608 712198238 /nfs/dbraw/zinc/19/82/38/712198238.db2.gz POTWRORQORRWFM-NNYUYHANSA-N 1 0 208.305 1.693 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720577542 712853915 /nfs/dbraw/zinc/85/39/15/712853915.db2.gz VOJUERKBNCQIDA-VHSXEESVSA-N 1 0 208.309 1.820 10 30 BDEERO Cc1cc(N2CC[C@H](CC[NH3+])C2)cc(C#N)n1 ZINC000723685532 711534035 /nfs/dbraw/zinc/53/40/35/711534035.db2.gz IPULNKJBQVEXQQ-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@H](CC[NH3+])C2)n1 ZINC000723682487 711534185 /nfs/dbraw/zinc/53/41/85/711534185.db2.gz IVFVZCMWLNCNSF-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)cc(C#N)n1 ZINC000723901642 711544061 /nfs/dbraw/zinc/54/40/61/711544061.db2.gz JEJJWIIKYAYDTQ-ZYHUDNBSSA-N 1 0 244.342 1.683 10 30 BDEERO N#Cc1cncc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000721547227 711622353 /nfs/dbraw/zinc/62/23/53/711622353.db2.gz YCNYLXJLNTZFSJ-AWEZNQCLSA-N 1 0 245.326 1.690 10 30 BDEERO CC1(C)C[NH2+]C[C@@H]1Nc1cccc(C#N)n1 ZINC000721944794 711945427 /nfs/dbraw/zinc/94/54/27/711945427.db2.gz ULMQFYUXSWHQBP-JTQLQIEISA-N 1 0 216.288 1.363 10 30 BDEERO C#C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(C)C ZINC000701090922 712014871 /nfs/dbraw/zinc/01/48/71/712014871.db2.gz QMXGUTSBGIESOJ-AVGNSLFASA-N 1 0 207.317 1.801 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206926 712285207 /nfs/dbraw/zinc/28/52/07/712285207.db2.gz HMBAIKSSDXZAQZ-ZJUUUORDSA-N 1 0 236.340 1.537 10 30 BDEERO N#Cc1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000715113525 712509794 /nfs/dbraw/zinc/50/97/94/712509794.db2.gz IARNGPDAMIQGJA-AOOOYVTPSA-N 1 0 202.261 1.102 10 30 BDEERO N#Cc1cccnc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715113110 712509889 /nfs/dbraw/zinc/50/98/89/712509889.db2.gz ANRZUYNVJDHEDD-WAAGHKOSSA-N 1 0 202.261 1.102 10 30 BDEERO C#CCCCCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720609222 712858650 /nfs/dbraw/zinc/85/86/50/712858650.db2.gz GNDYARYGGMBREQ-NSHDSACASA-N 1 0 220.320 1.659 10 30 BDEERO C=C(C)C(=O)O[C@H](C)C[N+](C)(CC)CC ZINC000038632717 717126223 /nfs/dbraw/zinc/12/62/23/717126223.db2.gz HYNNEDVXIRTMTN-LLVKDONJSA-N 1 0 214.329 1.981 10 30 BDEERO C=C(C)CNCC(F)(F)C(=O)OCC ZINC000685956888 538901766 /nfs/dbraw/zinc/90/17/66/538901766.db2.gz IUBJQLHEURUTEX-UHFFFAOYSA-N 1 0 207.220 1.351 10 30 BDEERO C=CCN(CCC)CC(F)(F)CNC ZINC000685957017 538903533 /nfs/dbraw/zinc/90/35/33/538903533.db2.gz KFNYHJOUEAPPGL-UHFFFAOYSA-N 1 0 206.280 1.739 10 30 BDEERO C=C(C)CC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685958906 538906323 /nfs/dbraw/zinc/90/63/23/538906323.db2.gz FRBMDRZLMQPWDG-AWEZNQCLSA-N 1 0 246.354 1.981 10 30 BDEERO COC[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000221910448 349468982 /nfs/dbraw/zinc/46/89/82/349468982.db2.gz UCWJCMZJDRXMSC-SECBINFHSA-N 1 0 222.263 1.822 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)CC[NH3+])n1 ZINC000336684197 178365377 /nfs/dbraw/zinc/36/53/77/178365377.db2.gz KDNFTFHLOJYJAD-SECBINFHSA-N 1 0 204.277 1.411 10 30 BDEERO CCC(CC)[N@H+](CCO)[C@@H](CC)C/C(N)=N/O ZINC000042507583 168374733 /nfs/dbraw/zinc/37/47/33/168374733.db2.gz FBECRLDVOFJDOP-NSHDSACASA-N 1 0 245.367 1.384 10 30 BDEERO Cc1cc(Cl)ccc1NC1=[NH+]CCN1 ZINC000000004737 342669497 /nfs/dbraw/zinc/66/94/97/342669497.db2.gz WCJNRJDOHCANAL-UHFFFAOYSA-N 1 0 209.680 1.829 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1cccnc1C#N ZINC000320709094 342735110 /nfs/dbraw/zinc/73/51/10/342735110.db2.gz PJXHHJWTRLSBLN-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO C=CC[N@H+]1CC[C@@H](c2nccc(OC)n2)C1 ZINC000145385003 342761355 /nfs/dbraw/zinc/76/13/55/342761355.db2.gz KXMFBMXNQLNAII-SNVBAGLBSA-N 1 0 219.288 1.461 10 30 BDEERO CC[NH2+]CCCNc1cc(C#N)cc(C)n1 ZINC000157675197 342814761 /nfs/dbraw/zinc/81/47/61/342814761.db2.gz BSLKTVNOEZEGND-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO C=CCNc1cc(N2CCC([NH3+])CC2)ncn1 ZINC000259023314 342822036 /nfs/dbraw/zinc/82/20/36/342822036.db2.gz SIARDVGULQLJJU-UHFFFAOYSA-N 1 0 233.319 1.002 10 30 BDEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000336378279 342804589 /nfs/dbraw/zinc/80/45/89/342804589.db2.gz RLJYPKCTNTUOAL-JTQLQIEISA-N 1 0 247.298 1.365 10 30 BDEERO N[NH+]=C(NC1CC1)c1cccc(Cl)c1 ZINC000042036759 361926551 /nfs/dbraw/zinc/92/65/51/361926551.db2.gz ROVNDWGXPBSKHS-UHFFFAOYSA-N 1 0 209.680 1.712 10 30 BDEERO CC[C@H]([NH3+])CNc1nc2c(cc1C#N)CCC2 ZINC000111304817 398302745 /nfs/dbraw/zinc/30/27/45/398302745.db2.gz MEJAVEGONVNZIQ-NSHDSACASA-N 1 0 230.315 1.591 10 30 BDEERO CC[C@@H]([NH3+])CNc1nc(Cl)c(C#N)s1 ZINC000233893404 342895383 /nfs/dbraw/zinc/89/53/83/342895383.db2.gz AINPFCOSXNSMIU-RXMQYKEDSA-N 1 0 230.724 1.817 10 30 BDEERO C=CCCCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000120834654 343135336 /nfs/dbraw/zinc/13/53/36/343135336.db2.gz UQSLBKWIZKMZEP-GFCCVEGCSA-N 1 0 210.321 1.553 10 30 BDEERO CNC(=[NH2+])SC[C@@H]1CC1(Cl)Cl ZINC000029497483 343141932 /nfs/dbraw/zinc/14/19/32/343141932.db2.gz LVUSNSSZRUCUBP-BYPYZUCNSA-N 1 0 213.133 1.858 10 30 BDEERO Cc1ccnc(N2CC[C@@H](C)C[C@H]2C[NH3+])c1C#N ZINC000261551725 136272559 /nfs/dbraw/zinc/27/25/59/136272559.db2.gz WTLCBEUJFSHXRY-PWSUYJOCSA-N 1 0 244.342 1.825 10 30 BDEERO N[NH+]=C(N)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127129103 343234830 /nfs/dbraw/zinc/23/48/30/343234830.db2.gz CSCTZFZFVCFOPY-RITPCOANSA-N 1 0 209.215 1.586 10 30 BDEERO CC[C@H]1CN(C)CCC[N@@H+]1CCS ZINC000234077525 343320594 /nfs/dbraw/zinc/32/05/94/343320594.db2.gz BFLGFSDMMAXOHI-JTQLQIEISA-N 1 0 202.367 1.332 10 30 BDEERO O=CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000054238953 343422637 /nfs/dbraw/zinc/42/26/37/343422637.db2.gz FUHWJGFTPCXRSD-NEPJUHHUSA-N 1 0 211.305 1.201 10 30 BDEERO SCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000227276076 343410692 /nfs/dbraw/zinc/41/06/92/343410692.db2.gz LXJNPTVIVCWFSG-LLVKDONJSA-N 1 0 214.378 1.476 10 30 BDEERO Cn1ccnc1CN[C@@H]1CCCC[C@H]1C#N ZINC000070853312 343514754 /nfs/dbraw/zinc/51/47/54/343514754.db2.gz AIRDFUZDSKQRIO-WDEREUQCSA-N 1 0 218.304 1.592 10 30 BDEERO C#CC[C@H]([NH3+])c1nscc1Br ZINC000404798190 343618730 /nfs/dbraw/zinc/61/87/30/343618730.db2.gz IYVNSSSXOALVOW-LURJTMIESA-N 1 0 231.118 1.929 10 30 BDEERO CC[C@H]([NH3+])CNc1cccc(F)c1C#N ZINC000082579242 133502683 /nfs/dbraw/zinc/50/26/83/133502683.db2.gz FPNDXJFKMGURMN-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO C#CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000019875555 166192121 /nfs/dbraw/zinc/19/21/21/166192121.db2.gz VYESVILGMFLVMJ-LLVKDONJSA-N 1 0 203.285 1.936 10 30 BDEERO CC[NH2+][C@H](C)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000387632234 346974713 /nfs/dbraw/zinc/97/47/13/346974713.db2.gz FVLFMCFWALFNBC-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO C#CCn1cc(CC(N)=[NH2+])c(-c2cccs2)n1 ZINC000409436754 343836830 /nfs/dbraw/zinc/83/68/30/343836830.db2.gz ABUTYZGEPGSWKG-UHFFFAOYSA-N 1 0 244.323 1.723 10 30 BDEERO C#CCn1cc(CC[NH2+]C)c(C(F)(F)F)n1 ZINC000409437186 343842314 /nfs/dbraw/zinc/84/23/14/343842314.db2.gz FEHCYRHTXYVSJR-UHFFFAOYSA-N 1 0 231.221 1.297 10 30 BDEERO C[C@@](C#N)(Cc1ccccc1)NC1C[NH2+]C1 ZINC000409437727 343848902 /nfs/dbraw/zinc/84/89/02/343848902.db2.gz AZICDTLKTAEKMO-ZDUSSCGKSA-N 1 0 215.300 1.073 10 30 BDEERO C[C@](C#N)(Cc1ccccc1)N1CC([NH3+])C1 ZINC000409438102 343849698 /nfs/dbraw/zinc/84/96/98/343849698.db2.gz CBNAMEYRILVJKD-CYBMUJFWSA-N 1 0 215.300 1.154 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(-c2ccsc2)n1 ZINC000409438217 343849882 /nfs/dbraw/zinc/84/98/82/343849882.db2.gz KSNXNGSEXOMCQW-UHFFFAOYSA-N 1 0 231.324 1.964 10 30 BDEERO N#C[C@H](c1ccccc1F)N1CC([NH3+])C1 ZINC000409442565 343859006 /nfs/dbraw/zinc/85/90/06/343859006.db2.gz XBVOGWHUPFBICL-LLVKDONJSA-N 1 0 205.236 1.033 10 30 BDEERO C=C(Br)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235356206 343962605 /nfs/dbraw/zinc/96/26/05/343962605.db2.gz IQZDICDQVFSDDN-SVRRBLITSA-N 1 0 219.126 1.174 10 30 BDEERO C=C(C)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000616571104 344178098 /nfs/dbraw/zinc/17/80/98/344178098.db2.gz JQQAZRPNQYTZLE-GFCCVEGCSA-N 1 0 236.359 1.991 10 30 BDEERO CC#CCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000128783614 344208686 /nfs/dbraw/zinc/20/86/86/344208686.db2.gz HLRGGUNVSHTTCQ-CHWSQXEVSA-N 1 0 206.333 1.568 10 30 BDEERO C=C(C)C(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616572410 344183634 /nfs/dbraw/zinc/18/36/34/344183634.db2.gz VRMVUZWOOPFQSE-RYUDHWBXSA-N 1 0 224.348 1.784 10 30 BDEERO COC1CC([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000234735502 344238084 /nfs/dbraw/zinc/23/80/84/344238084.db2.gz RXJBHUNCNHPGLD-WNYYMSAVSA-N 1 0 208.305 1.836 10 30 BDEERO CC#CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127914150 344202868 /nfs/dbraw/zinc/20/28/68/344202868.db2.gz VVHHGTXVZJFCNT-CHWSQXEVSA-N 1 0 217.316 1.980 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310838 344418785 /nfs/dbraw/zinc/41/87/85/344418785.db2.gz JXPPXUUIYKVULU-GMTAPVOTSA-N 1 0 223.320 1.122 10 30 BDEERO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC000209622439 344469466 /nfs/dbraw/zinc/46/94/66/344469466.db2.gz OADQVGRVXBVWFI-MFKMUULPSA-N 1 0 231.274 1.495 10 30 BDEERO COC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054825681 344472265 /nfs/dbraw/zinc/47/22/65/344472265.db2.gz RDKYAIVWMSCEKL-NXEZZACHSA-N 1 0 210.277 1.221 10 30 BDEERO Cc1ccnc(N[C@@H](C)[C@H](C)[NH3+])c1C#N ZINC000381346220 344497528 /nfs/dbraw/zinc/49/75/28/344497528.db2.gz GRHKUKQALFHNTL-IUCAKERBSA-N 1 0 204.277 1.409 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381659927 344531464 /nfs/dbraw/zinc/53/14/64/344531464.db2.gz AFRNYEFCULRIDW-UWVGGRQHSA-N 1 0 218.304 1.718 10 30 BDEERO C[C@@H]1C[N@H+](CC(C)(C)CS)CC[C@@H]1O ZINC000127625806 344579510 /nfs/dbraw/zinc/57/95/10/344579510.db2.gz LPIRYNBSTLAAHK-ZJUUUORDSA-N 1 0 217.378 1.645 10 30 BDEERO C=C(Cl)CNC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000235257498 344859741 /nfs/dbraw/zinc/85/97/41/344859741.db2.gz NNBZAGPVXCGTFU-VXNVDRBHSA-N 1 0 216.712 1.243 10 30 BDEERO CC[C@@H]1CN(c2cnccc2C#N)CC[C@@H]1[NH3+] ZINC000135810909 344898045 /nfs/dbraw/zinc/89/80/45/344898045.db2.gz FSYGWPRCOZZIBQ-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235663536 344974519 /nfs/dbraw/zinc/97/45/19/344974519.db2.gz RXBQZQTULKBFCX-GWCFXTLKSA-N 1 0 215.300 1.337 10 30 BDEERO N#Cc1cncc(C[NH3+])c1OC(F)(F)F ZINC000238570885 345080362 /nfs/dbraw/zinc/08/03/62/345080362.db2.gz CSYJLNSXZPKDRF-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)cn1 ZINC000070010950 345272510 /nfs/dbraw/zinc/27/25/10/345272510.db2.gz FKFJYTIBBGAEPX-SNVBAGLBSA-N 1 0 204.277 1.348 10 30 BDEERO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000082575264 345439827 /nfs/dbraw/zinc/43/98/27/345439827.db2.gz ZQGOQJPFPOLNCJ-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000082575501 345440824 /nfs/dbraw/zinc/44/08/24/345440824.db2.gz YURHMQCMQHITPH-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO N#Cc1ccc(NC(=O)C[NH3+])c(Cl)c1 ZINC000236174583 346205099 /nfs/dbraw/zinc/20/50/99/346205099.db2.gz HDJHJZWZTAUJOX-UHFFFAOYSA-N 1 0 209.636 1.109 10 30 BDEERO N#Cc1sc(N2CC[NH2+]CC2)nc1Cl ZINC000236072483 346189215 /nfs/dbraw/zinc/18/92/15/346189215.db2.gz AKYLWIWMGIACPN-UHFFFAOYSA-N 1 0 228.708 1.078 10 30 BDEERO Cc1ncc(CN2CCC[C@H](C=O)C2)s1 ZINC000062337824 346240082 /nfs/dbraw/zinc/24/00/82/346240082.db2.gz SMJPRRCGBYVNKM-JTQLQIEISA-N 1 0 224.329 1.862 10 30 BDEERO N[NH+]=C(N)Nc1ccc(F)cc1Br ZINC000164587579 346611029 /nfs/dbraw/zinc/61/10/29/346611029.db2.gz RIVINXLFMVJGBV-UHFFFAOYSA-N 1 0 247.071 1.189 10 30 BDEERO Cc1cccc(NC(N)=[NH+]N)c1Br ZINC000164600547 346611588 /nfs/dbraw/zinc/61/15/88/346611588.db2.gz ZZDAPQNMFQWZRA-UHFFFAOYSA-N 1 0 243.108 1.358 10 30 BDEERO CNC(Nc1cc(Cl)cc(Cl)c1)=[NH+]N ZINC000164620487 346612887 /nfs/dbraw/zinc/61/28/87/346612887.db2.gz DZAGVPDUKQVHQW-UHFFFAOYSA-N 1 0 233.102 1.854 10 30 BDEERO CC[C@H]1CN(c2cc(C)nc(C#N)c2)CC[C@@H]1[NH3+] ZINC000308245960 346761948 /nfs/dbraw/zinc/76/19/48/346761948.db2.gz TXBZCZSAEWQXKA-FZMZJTMJSA-N 1 0 244.342 1.825 10 30 BDEERO CCN(CC[NH3+])c1cc(C)nc(C#N)c1 ZINC000308244708 346764802 /nfs/dbraw/zinc/76/48/02/346764802.db2.gz PNXZDVYMJBRVDI-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO C=C(CC)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309738178 347150366 /nfs/dbraw/zinc/15/03/66/347150366.db2.gz CTCQPUWZUHBTSB-LLVKDONJSA-N 1 0 222.332 1.744 10 30 BDEERO N#Cc1cccnc1NCCC1CC[NH2+]CC1 ZINC000593232926 347873210 /nfs/dbraw/zinc/87/32/10/347873210.db2.gz HLQLQZVPJQBJJU-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO Cc1cc(N(C)CC(C)(C)[NH3+])c(C#N)cn1 ZINC000594692283 348100113 /nfs/dbraw/zinc/10/01/13/348100113.db2.gz UBIUIAUJJHXVNR-UHFFFAOYSA-N 1 0 218.304 1.435 10 30 BDEERO C=C(C)C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571433 348201115 /nfs/dbraw/zinc/20/11/15/348201115.db2.gz LFEANDBFPIEXCC-UHFFFAOYSA-N 1 0 224.348 1.705 10 30 BDEERO N#CC[C@H]1CCC[N@@H+](CC2(O)CCC2)C1 ZINC000595615392 348288807 /nfs/dbraw/zinc/28/88/07/348288807.db2.gz QPZWWXKVJAKWRM-LLVKDONJSA-N 1 0 208.305 1.527 10 30 BDEERO C=CCCSCCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000595940921 348410033 /nfs/dbraw/zinc/41/00/33/348410033.db2.gz WHGSQCVXXLYXKY-GHMZBOCLSA-N 1 0 244.404 1.785 10 30 BDEERO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981405 348416806 /nfs/dbraw/zinc/41/68/06/348416806.db2.gz OLZHXHRPZQHWRQ-ZYHUDNBSSA-N 1 0 223.320 1.122 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1ccnc(C#N)c1 ZINC000596030052 348425994 /nfs/dbraw/zinc/42/59/94/348425994.db2.gz GKMLHLYGWPPXIF-GFCCVEGCSA-N 1 0 218.304 1.739 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc(C)ccc1C#N ZINC000596031191 348426592 /nfs/dbraw/zinc/42/65/92/348426592.db2.gz BJPILCAOZCTPFJ-SECBINFHSA-N 1 0 204.277 1.282 10 30 BDEERO CCc1ccnc(C2(C#N)CC[NH2+]CC2)c1 ZINC000198943433 349044448 /nfs/dbraw/zinc/04/44/48/349044448.db2.gz ADCLSFDXESLMSK-UHFFFAOYSA-N 1 0 215.300 1.789 10 30 BDEERO O[C@@H]1C[NH2+]C[C@H]1C#Cc1ccccc1Cl ZINC000616581440 349263580 /nfs/dbraw/zinc/26/35/80/349263580.db2.gz QZBVQQPFANXCBZ-ZYHUDNBSSA-N 1 0 221.687 1.272 10 30 BDEERO CN/C(=[NH+]/C)N1CCN(Cc2ccccc2)CC1 ZINC000072815616 350232927 /nfs/dbraw/zinc/23/29/27/350232927.db2.gz QFMITISRKFZAPH-UHFFFAOYSA-N 1 0 246.358 1.009 10 30 BDEERO CC(C)NC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262474432 535124016 /nfs/dbraw/zinc/12/40/16/535124016.db2.gz ZOIHJBGHIDKAKO-SNVBAGLBSA-N 1 0 237.278 1.572 10 30 BDEERO CC(C)NC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000262022966 535124296 /nfs/dbraw/zinc/12/42/96/535124296.db2.gz YMFDJDIGXFHSAH-UHFFFAOYSA-N 1 0 235.335 1.032 10 30 BDEERO Cc1nn(C)c(N[C@@H]2CCCC[C@H]2[NH3+])c1C#N ZINC000104309460 180359391 /nfs/dbraw/zinc/35/93/91/180359391.db2.gz XSFGEINSKOSHPT-GHMZBOCLSA-N 1 0 233.319 1.282 10 30 BDEERO Cc1nn(C)c(N[C@@H]2CCCC[C@@H]2[NH3+])c1C#N ZINC000104309451 180359395 /nfs/dbraw/zinc/35/93/95/180359395.db2.gz XSFGEINSKOSHPT-WDEREUQCSA-N 1 0 233.319 1.282 10 30 BDEERO Nc1cc[nH+]cc1/C(=N\O)c1ccccc1 ZINC000033317453 350441858 /nfs/dbraw/zinc/44/18/58/350441858.db2.gz PPFBNKWEGZCLQJ-QINSGFPZSA-N 1 0 213.240 1.890 10 30 BDEERO N#Cc1cccc([C@H]2COCCCN2CC[NH3+])c1 ZINC000616598589 350675464 /nfs/dbraw/zinc/67/54/64/350675464.db2.gz FKMAPSMIOCVYKJ-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO C[C@H]1C[N@H+](CCCCC#N)C[C@@H]1N(C)C ZINC000124127701 350682368 /nfs/dbraw/zinc/68/23/68/350682368.db2.gz SJYQGXPKTQVMAZ-RYUDHWBXSA-N 1 0 209.337 1.562 10 30 BDEERO C[N@@H+]1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616599146 350726152 /nfs/dbraw/zinc/72/61/52/350726152.db2.gz IBUQQJULUTZCAC-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO CCCCCCC/C=C/[C@H](O)[C@@H]([NH3+])CO ZINC000043860494 168648171 /nfs/dbraw/zinc/64/81/71/168648171.db2.gz NCNKWPUJUUMFNR-OMJLJAAMSA-N 1 0 215.337 1.584 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030047 350901132 /nfs/dbraw/zinc/90/11/32/350901132.db2.gz OFNOZHYNVAUMEI-VHSXEESVSA-N 1 0 247.180 1.954 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 ZINC000386436631 362987085 /nfs/dbraw/zinc/98/70/85/362987085.db2.gz PCHBAQFYVGVOTR-LLVKDONJSA-N 1 0 245.330 1.269 10 30 BDEERO CNC(NCc1ccsc1Cl)=[NH+]C ZINC000306759998 350973510 /nfs/dbraw/zinc/97/35/10/350973510.db2.gz XIKKFWOGMFKFQO-UHFFFAOYSA-N 1 0 217.725 1.696 10 30 BDEERO C=C(CS)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000231633454 350990482 /nfs/dbraw/zinc/99/04/82/350990482.db2.gz MPIRDIGPLDCQDE-UWVGGRQHSA-N 1 0 201.335 1.175 10 30 BDEERO C#CCC[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000306763275 350993241 /nfs/dbraw/zinc/99/32/41/350993241.db2.gz IOAHBZLUZCTACT-LLVKDONJSA-N 1 0 240.347 1.760 10 30 BDEERO N#Cc1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616645784 351168612 /nfs/dbraw/zinc/16/86/12/351168612.db2.gz AOEPZDGKRWJHHG-LBPRGKRZSA-N 1 0 202.257 1.609 10 30 BDEERO C=C[C@@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000306851400 351174773 /nfs/dbraw/zinc/17/47/73/351174773.db2.gz QLAWOWODVCBWRY-NSHDSACASA-N 1 0 208.330 1.880 10 30 BDEERO N#Cc1cccc([C@H]2CCN(CC[NH3+])CCO2)c1 ZINC000616666512 351226873 /nfs/dbraw/zinc/22/68/73/351226873.db2.gz WAEDPGFTTBTJOX-CQSZACIVSA-N 1 0 245.326 1.280 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)cn1 ZINC000133645546 351435248 /nfs/dbraw/zinc/43/52/48/351435248.db2.gz BSMAWAZJDZKIHS-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO CC[C@@H]1CN(c2nc(C)cc(C#N)n2)CC[C@@H]1[NH3+] ZINC000231943852 351476318 /nfs/dbraw/zinc/47/63/18/351476318.db2.gz FNLPRISRHRTWJW-PWSUYJOCSA-N 1 0 245.330 1.220 10 30 BDEERO C=C(Br)CN1CC[C@@](C)([NH3+])C1 ZINC000405759278 363084591 /nfs/dbraw/zinc/08/45/91/363084591.db2.gz FXKKIBIYESINBX-MRVPVSSYSA-N 1 0 219.126 1.318 10 30 BDEERO C=C(Br)CN(CC)C1CC[NH2+]CC1 ZINC000037681909 187589891 /nfs/dbraw/zinc/58/98/91/187589891.db2.gz TYOBNFYWIJJHBJ-UHFFFAOYSA-N 1 0 247.180 1.969 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000638471503 352281450 /nfs/dbraw/zinc/28/14/50/352281450.db2.gz FSLSWESDVXWJBV-JHJVBQTASA-N 1 0 236.359 1.799 10 30 BDEERO C=C(Br)CN1CC[NH2+]C[C@H]1C ZINC000054374492 187707922 /nfs/dbraw/zinc/70/79/22/187707922.db2.gz NPCBNGRZGXVJGW-MRVPVSSYSA-N 1 0 219.126 1.189 10 30 BDEERO N#C[C@@]1(Cc2cncs2)CCC[NH2+]C1 ZINC000307436178 352596055 /nfs/dbraw/zinc/59/60/55/352596055.db2.gz OYTUNXBMDNAZCO-JTQLQIEISA-N 1 0 207.302 1.579 10 30 BDEERO Cc1cc(NC[C@H](C)C[NH3+])cc(C#N)n1 ZINC000420210819 192175786 /nfs/dbraw/zinc/17/57/86/192175786.db2.gz DOQXXKJFUHFTPV-MRVPVSSYSA-N 1 0 204.277 1.268 10 30 BDEERO CN(CC=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307677868 352756056 /nfs/dbraw/zinc/75/60/56/352756056.db2.gz MRNRPSCQDKKGMV-CQSZACIVSA-N 1 0 232.327 1.392 10 30 BDEERO Cn1cnnc1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000104057980 180792711 /nfs/dbraw/zinc/79/27/11/180792711.db2.gz OWVGCMDRVFRQIM-WDEREUQCSA-N 1 0 233.319 1.030 10 30 BDEERO CC#CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000253196979 538105308 /nfs/dbraw/zinc/10/53/08/538105308.db2.gz UGOZCXCRYLHKNY-KGLIPLIRSA-N 1 0 220.360 1.958 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H]1CSC[C@@H]1C ZINC000379373260 538105666 /nfs/dbraw/zinc/10/56/66/538105666.db2.gz WXWDXDZPUUBINX-LPEHRKFASA-N 1 0 201.335 1.265 10 30 BDEERO C=CCCC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000336752024 353068787 /nfs/dbraw/zinc/06/87/87/353068787.db2.gz DCZWZKJINMNUOX-UHFFFAOYSA-N 1 0 220.320 1.598 10 30 BDEERO C[C@@H](C[NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000420223015 192178280 /nfs/dbraw/zinc/17/82/80/192178280.db2.gz ZEKOTGXBBOCZBG-QMMMGPOBSA-N 1 0 234.259 1.473 10 30 BDEERO C[C@H](C[NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000420223014 192178642 /nfs/dbraw/zinc/17/86/42/192178642.db2.gz ZEKOTGXBBOCZBG-MRVPVSSYSA-N 1 0 234.259 1.473 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1cccs1 ZINC000057516694 166372209 /nfs/dbraw/zinc/37/22/09/166372209.db2.gz DOTMDWFSGPGQIW-VIFPVBQESA-N 1 0 224.329 1.483 10 30 BDEERO C=CC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000033465469 188233843 /nfs/dbraw/zinc/23/38/43/188233843.db2.gz UXLDQZQSIFHJLG-ZDUSSCGKSA-N 1 0 235.327 1.819 10 30 BDEERO C#CC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000019875345 188243068 /nfs/dbraw/zinc/24/30/68/188243068.db2.gz WJCUAMGCBBFNLB-UHFFFAOYSA-N 1 0 205.257 1.427 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)NCc1cccc(OCC)c1 ZINC000083375290 188270152 /nfs/dbraw/zinc/27/01/52/188270152.db2.gz PEAWXBYETIOCMJ-ZDUSSCGKSA-N 1 0 246.310 1.052 10 30 BDEERO C=CC[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000083346368 188270641 /nfs/dbraw/zinc/27/06/41/188270641.db2.gz OWLNKNSRUHYAMR-NSHDSACASA-N 1 0 210.321 1.586 10 30 BDEERO C[NH2+]Cc1cnn(-c2cccc(C#N)c2)c1C ZINC000042355878 188293862 /nfs/dbraw/zinc/29/38/62/188293862.db2.gz LTLUFCCWBWOAMH-UHFFFAOYSA-N 1 0 226.283 1.772 10 30 BDEERO CCCCCCCN(CCCO)C(=O)[C@@H](C)[NH3+] ZINC000103047234 188323942 /nfs/dbraw/zinc/32/39/42/188323942.db2.gz XVTIFTGIEXLRSI-GFCCVEGCSA-N 1 0 244.379 1.515 10 30 BDEERO CC(C)N(CCC#N)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042529967 188324402 /nfs/dbraw/zinc/32/44/02/188324402.db2.gz DSQOXXHTAGPDJN-RYUDHWBXSA-N 1 0 209.337 1.880 10 30 BDEERO CC#CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000155559092 188330417 /nfs/dbraw/zinc/33/04/17/188330417.db2.gz FHHOBUFGZLPJQE-GFCCVEGCSA-N 1 0 218.304 1.328 10 30 BDEERO CNC(=[NH2+])Nc1cccc(-c2c[nH]cn2)c1 ZINC000027301845 188357347 /nfs/dbraw/zinc/35/73/47/188357347.db2.gz SIXJAEXXKOZXOI-UHFFFAOYSA-N 1 0 215.260 1.433 10 30 BDEERO C=C(C)[C@@H]([NH2+]C)[C@@H]1CCCCS1(=O)=O ZINC000131399217 353368217 /nfs/dbraw/zinc/36/82/17/353368217.db2.gz SSYDSXKDPVQIAK-VHSXEESVSA-N 1 0 217.334 1.118 10 30 BDEERO CC#C[NH2+]C[C@@H]1CCc2[nH]c(C)c(C)c2C1=O ZINC000045809473 188397836 /nfs/dbraw/zinc/39/78/36/188397836.db2.gz YCYWZYAZEIWEKZ-NSHDSACASA-N 1 0 230.311 1.947 10 30 BDEERO COc1ccc(C[NH+]2CCCC2)cc1C#CCO ZINC000049615591 188399841 /nfs/dbraw/zinc/39/98/41/188399841.db2.gz SRQUFZQZIPQOOT-UHFFFAOYSA-N 1 0 245.322 1.635 10 30 BDEERO N#Cc1cnccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000399039150 353740668 /nfs/dbraw/zinc/74/06/68/353740668.db2.gz PKMOGTMKAWTGBZ-TXEJJXNPSA-N 1 0 242.326 1.389 10 30 BDEERO N#CCN(CC#N)[C@H](C[NH3+])c1ccccc1F ZINC000043042751 181040261 /nfs/dbraw/zinc/04/02/61/181040261.db2.gz KNSAWEKXVRFICD-GFCCVEGCSA-N 1 0 232.262 1.175 10 30 BDEERO N#C[C@@H]([C@@H]1CC=CCC1)N1CC[NH2+]CC1 ZINC000036336217 181057399 /nfs/dbraw/zinc/05/73/99/181057399.db2.gz MPAYZHMDFJENJZ-NEPJUHHUSA-N 1 0 205.305 1.140 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000054826380 181058613 /nfs/dbraw/zinc/05/86/13/181058613.db2.gz WMQZDMIOHJLZNU-RYUDHWBXSA-N 1 0 218.304 1.555 10 30 BDEERO N#Cc1c(Cl)cccc1O[C@@H]1CC[NH2+]C1 ZINC000052908544 181073835 /nfs/dbraw/zinc/07/38/35/181073835.db2.gz YDACMDQPPDLFEB-MRVPVSSYSA-N 1 0 222.675 1.952 10 30 BDEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000054826394 181067429 /nfs/dbraw/zinc/06/74/29/181067429.db2.gz FKAKIDWNNNNBFB-OLZOCXBDSA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1(CO)CCCC1 ZINC000054829838 181067694 /nfs/dbraw/zinc/06/76/94/181067694.db2.gz VIMWZNLEPBOGQE-NEPJUHHUSA-N 1 0 222.332 1.963 10 30 BDEERO N#Cc1cc(Cl)ccc1N[C@@H]1C[C@@H]1[NH3+] ZINC000052858516 181086849 /nfs/dbraw/zinc/08/68/49/181086849.db2.gz ROKCKASRTJUNLN-WCBMZHEXSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1 ZINC000036876316 181095563 /nfs/dbraw/zinc/09/55/63/181095563.db2.gz XDQMOVKGVZDHCD-UHFFFAOYSA-N 1 0 212.256 1.450 10 30 BDEERO N#Cc1cc(N)cnc1NCC[NH+]1CCCCC1 ZINC000049574744 181088964 /nfs/dbraw/zinc/08/89/64/181088964.db2.gz UELNJZRUELUAOH-UHFFFAOYSA-N 1 0 245.330 1.433 10 30 BDEERO N#Cc1cc(O[C@@H]2CCC[NH2+]C2)ccn1 ZINC000061813100 181092470 /nfs/dbraw/zinc/09/24/70/181092470.db2.gz OKOFCEJGAHRZFJ-LLVKDONJSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)o1 ZINC000164612265 181109635 /nfs/dbraw/zinc/10/96/35/181109635.db2.gz BEHLFSKAGAOVJG-MNOVXSKESA-N 1 0 206.245 1.154 10 30 BDEERO N#Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037748521 181106461 /nfs/dbraw/zinc/10/64/61/181106461.db2.gz OSAKGEMPXUXRLS-ZDUSSCGKSA-N 1 0 243.310 1.174 10 30 BDEERO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CC1 ZINC000037386665 181111817 /nfs/dbraw/zinc/11/18/17/181111817.db2.gz ROUODOYUOWBICM-UHFFFAOYSA-N 1 0 249.701 1.902 10 30 BDEERO N#Cc1ccc(F)c(Cn2ccnc2CC[NH3+])c1 ZINC000062802693 181114326 /nfs/dbraw/zinc/11/43/26/181114326.db2.gz ISEJVMDAYBQYAY-UHFFFAOYSA-N 1 0 244.273 1.443 10 30 BDEERO N#Cc1ccc(N2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000062791375 181116725 /nfs/dbraw/zinc/11/67/25/181116725.db2.gz PGSQCVYYVJSZKA-JTQLQIEISA-N 1 0 235.718 1.997 10 30 BDEERO N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063174593 181117945 /nfs/dbraw/zinc/11/79/45/181117945.db2.gz RDGMOGTYQAZTRW-RYUDHWBXSA-N 1 0 244.298 1.560 10 30 BDEERO N#Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(N)c1 ZINC000035674396 181125757 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WWYZZSOZRWFVBC-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO N#Cc1cccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038051076 181153979 /nfs/dbraw/zinc/15/39/79/181153979.db2.gz ZKPAXABDKRGSBW-MNOVXSKESA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1cccnc1S[C@@H]1CCC[NH2+]C1 ZINC000095072063 181154207 /nfs/dbraw/zinc/15/42/07/181154207.db2.gz GUGLTXNRLVSJLD-SNVBAGLBSA-N 1 0 219.313 1.797 10 30 BDEERO N#Cc1ccnc(S[C@@H]2CC[NH2+]C2)c1 ZINC000095072087 181158081 /nfs/dbraw/zinc/15/80/81/181158081.db2.gz KARNLNLRXXECQB-SECBINFHSA-N 1 0 205.286 1.407 10 30 BDEERO N#Cc1ncccc1CN[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000061658456 181170499 /nfs/dbraw/zinc/17/04/99/181170499.db2.gz LRRHAENRYJBMBP-GXTWGEPZSA-N 1 0 242.326 1.280 10 30 BDEERO [NH2+]=C(CS)NCC=Cc1ccccc1 ZINC000147263488 181183778 /nfs/dbraw/zinc/18/37/78/181183778.db2.gz WPBVYGZMDVECTQ-QPJJXVBHSA-N 1 0 206.314 1.987 10 30 BDEERO C[C@@H]1CN(C/C=C\CS)C[C@@H](C)[NH+]1C ZINC000308387591 355397282 /nfs/dbraw/zinc/39/72/82/355397282.db2.gz PQCDGQCHIGNTRO-WQMVXFAESA-N 1 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1.080 10 30 BDEERO C[N@@H+]1CCCC[C@@H]1COc1cc(N)ncc1C#N ZINC000584633287 358316875 /nfs/dbraw/zinc/31/68/75/358316875.db2.gz ZFBJSCXCNUSANI-LLVKDONJSA-N 1 0 246.314 1.229 10 30 BDEERO C#CC[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC000584637171 358322386 /nfs/dbraw/zinc/32/23/86/358322386.db2.gz ZLDFRYVHIRKBGH-UHFFFAOYSA-N 1 0 229.323 1.689 10 30 BDEERO COc1cc2c(O)cncc2cc1C#N ZINC000584640219 358326298 /nfs/dbraw/zinc/32/62/98/358326298.db2.gz HRHOEKKISIDGHA-UHFFFAOYSA-N 1 0 200.197 1.821 10 30 BDEERO CC#CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000129322488 358585362 /nfs/dbraw/zinc/58/53/62/358585362.db2.gz XQGISTXUZOQVTQ-UHFFFAOYSA-N 1 0 229.327 1.617 10 30 BDEERO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000135017228 358816265 /nfs/dbraw/zinc/81/62/65/358816265.db2.gz QRFVDQFPALHICI-AAEUAGOBSA-N 1 0 224.348 1.751 10 30 BDEERO CC#CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246565498 359147838 /nfs/dbraw/zinc/14/78/38/359147838.db2.gz DPOBVWGMEDBPKI-XQQFMLRXSA-N 1 0 235.327 1.816 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592281 359634863 /nfs/dbraw/zinc/63/48/63/359634863.db2.gz PWVXRCYCCKILQJ-NSHDSACASA-N 1 0 248.286 1.862 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)C#N ZINC000092630786 360186188 /nfs/dbraw/zinc/18/61/88/360186188.db2.gz GBQMWJGJAONTHA-LLVKDONJSA-N 1 0 237.347 1.479 10 30 BDEERO CN/C(=[NH+]\C)S[C@@H]1CCC[C@]1(C)O ZINC000306553913 360426532 /nfs/dbraw/zinc/42/65/32/360426532.db2.gz KYWZANWHTOWOGW-APPZFPTMSA-N 1 0 202.323 1.228 10 30 BDEERO NC(=[NH2+])NN=Cc1ccc2ccccc2c1 ZINC000006584476 181322545 /nfs/dbraw/zinc/32/25/45/181322545.db2.gz BMWOBKCWJKMUAZ-OVCLIPMQSA-N 1 0 212.256 1.447 10 30 BDEERO N#Cc1nc(OC(F)(F)F)ccc1C[NH3+] ZINC000238682603 361177475 /nfs/dbraw/zinc/17/74/75/361177475.db2.gz XBHDOHXZKHVKTL-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO CC#CCCN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000155463931 201334580 /nfs/dbraw/zinc/33/45/80/201334580.db2.gz KCMTUVSBHXJYBM-AWEZNQCLSA-N 1 0 238.375 1.442 10 30 BDEERO [NH3+]CC#Cc1cccc(COC[C@@H]2CCOC2)c1 ZINC000049691110 181346206 /nfs/dbraw/zinc/34/62/06/181346206.db2.gz LXZQAVHCTHHCPY-OAHLLOKOSA-N 1 0 245.322 1.550 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1OC[C@@H]1CCOC1 ZINC000049689776 181345616 /nfs/dbraw/zinc/34/56/16/181345616.db2.gz MTILMFNIJZRAOM-LLVKDONJSA-N 1 0 249.285 1.551 10 30 BDEERO [NH3+]CC#Cc1cc(Cn2ccnc2)ccc1F ZINC000049610077 181345677 /nfs/dbraw/zinc/34/56/77/181345677.db2.gz UCGCDVNTLCQDJB-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1CN1CCOC1=O ZINC000049610127 181346719 /nfs/dbraw/zinc/34/67/19/181346719.db2.gz XFKZXCATCUWNDH-UHFFFAOYSA-N 1 0 248.257 1.088 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1NC(=O)NC1CC1 ZINC000054457903 181346923 /nfs/dbraw/zinc/34/69/23/181346923.db2.gz FZESMEYMDCNCTD-UHFFFAOYSA-N 1 0 247.273 1.420 10 30 BDEERO [NH3+]CC#Cc1ccc(Br)cc1 ZINC000082641204 181346457 /nfs/dbraw/zinc/34/64/57/181346457.db2.gz RILNDOLMVPZNPW-UHFFFAOYSA-N 1 0 210.074 1.759 10 30 BDEERO [NH3+]CC#Cc1ccc(COC[C@@H]2CCOC2)cc1 ZINC000049691100 181346622 /nfs/dbraw/zinc/34/66/22/181346622.db2.gz XPYQLHGPJCYJGZ-OAHLLOKOSA-N 1 0 245.322 1.550 10 30 BDEERO C#CCOc1c(C[NH2+]C)cccc1OC ZINC000037709482 363895568 /nfs/dbraw/zinc/89/55/68/363895568.db2.gz NLXYOVAHJJUPTB-UHFFFAOYSA-N 1 0 205.257 1.427 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)cc(C)n1 ZINC000600863525 364206475 /nfs/dbraw/zinc/20/64/75/364206475.db2.gz ORXKNTBIRMFSAV-NWDGAFQWSA-N 1 0 230.315 1.814 10 30 BDEERO COc1cc(C#N)ccc1OCCC[NH+](C)C ZINC000011959505 370803645 /nfs/dbraw/zinc/80/36/45/370803645.db2.gz CWEJUFXPYKAGEQ-UHFFFAOYSA-N 1 0 234.299 1.897 10 30 BDEERO C=CCCCCC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367003320 367077624 /nfs/dbraw/zinc/07/76/24/367077624.db2.gz NKCAJVHEFLVQLM-CYBMUJFWSA-N 1 0 240.347 1.045 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000382593971 367546701 /nfs/dbraw/zinc/54/67/01/367546701.db2.gz IYZOUDVCVWXHJE-QWRGUYRKSA-N 1 0 208.305 1.292 10 30 BDEERO CC[C@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1[NH3+] ZINC000122939683 368965214 /nfs/dbraw/zinc/96/52/14/368965214.db2.gz QZMOCESVWSCCME-RYUDHWBXSA-N 1 0 230.315 1.517 10 30 BDEERO CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000106880741 369214926 /nfs/dbraw/zinc/21/49/26/369214926.db2.gz PENHGVIWSGDUHO-GFCCVEGCSA-N 1 0 202.257 1.561 10 30 BDEERO CN(c1cncc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000401483020 369364944 /nfs/dbraw/zinc/36/49/44/369364944.db2.gz RTBLBUPBXATZIT-DHHPTOIESA-N 1 0 243.314 1.067 10 30 BDEERO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123127626 369396891 /nfs/dbraw/zinc/39/68/91/369396891.db2.gz TWSRPNCCFQNNKD-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C=CCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404079312 369418485 /nfs/dbraw/zinc/41/84/85/369418485.db2.gz OTHUZUCDTGCGSU-NWDGAFQWSA-N 1 0 210.321 1.015 10 30 BDEERO Cc1ccnc(N[C@@H]2CC[NH2+][C@H]2C)c1C#N ZINC000600957375 369576169 /nfs/dbraw/zinc/57/61/69/369576169.db2.gz OXWAWPJFPFXKAZ-GXSJLCMTSA-N 1 0 216.288 1.424 10 30 BDEERO CC[C@H]1CN(c2ncccc2C#N)CC[C@H]1[NH3+] ZINC000251888772 369981288 /nfs/dbraw/zinc/98/12/88/369981288.db2.gz VVNPWXKBEAUPAI-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1cnccn1 ZINC000389941925 371183849 /nfs/dbraw/zinc/18/38/49/371183849.db2.gz LQXKLPPMVIZZEH-YPMHNXCESA-N 1 0 230.315 1.691 10 30 BDEERO C=CCN1C(=[NH2+])NC[C@H]1c1nccs1 ZINC000161833092 371569084 /nfs/dbraw/zinc/56/90/84/371569084.db2.gz LPFXOGLRDQUJJL-ZETCQYMHSA-N 1 0 208.290 1.001 10 30 BDEERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000226044979 371602811 /nfs/dbraw/zinc/60/28/11/371602811.db2.gz LSRRPEYCRYDHNU-JHJVBQTASA-N 1 0 221.348 1.753 10 30 BDEERO C=C(C)CC(=O)[C@@H]1C[N@@H+](C)CCCN1C ZINC000132260620 371778139 /nfs/dbraw/zinc/77/81/39/371778139.db2.gz JVLPQAKTCIFGAR-NSHDSACASA-N 1 0 210.321 1.158 10 30 BDEERO CN(CCC[NH3+])c1ccc(C#N)c(Cl)c1 ZINC000227750419 371929181 /nfs/dbraw/zinc/92/91/81/371929181.db2.gz PCOSSUFZDMWLQF-UHFFFAOYSA-N 1 0 223.707 1.997 10 30 BDEERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000132958683 371958987 /nfs/dbraw/zinc/95/89/87/371958987.db2.gz MDUNPADYFOILAH-ZWNOBZJWSA-N 1 0 231.299 1.111 10 30 BDEERO C=C(Br)C[NH2+][C@]1(C)CCOC1 ZINC000229453606 372152972 /nfs/dbraw/zinc/15/29/72/372152972.db2.gz WFJQUKITFRDLCJ-MRVPVSSYSA-N 1 0 220.110 1.664 10 30 BDEERO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000381145510 373928889 /nfs/dbraw/zinc/92/88/89/373928889.db2.gz NPHFVMCRDFTHQI-GHMZBOCLSA-N 1 0 246.376 1.013 10 30 BDEERO CCC[N@H+](C[C@H]1CO1)CC1CCOCC1 ZINC000085343262 169138873 /nfs/dbraw/zinc/13/88/73/169138873.db2.gz UAHILVOVWZKQFG-LBPRGKRZSA-N 1 0 213.321 1.524 10 30 BDEERO CCCNC(=O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135495537 169227138 /nfs/dbraw/zinc/22/71/38/169227138.db2.gz WDPWXGSCMFIHDT-UHFFFAOYSA-N 1 0 237.328 1.236 10 30 BDEERO CCCNC(=O)Nc1ccc(F)cc1C#CC[NH3+] ZINC000037552849 169239857 /nfs/dbraw/zinc/23/98/57/169239857.db2.gz PVJMCIFPWSWVKR-UHFFFAOYSA-N 1 0 249.289 1.667 10 30 BDEERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(C#N)c1 ZINC000037748693 169390043 /nfs/dbraw/zinc/39/00/43/169390043.db2.gz MWSPKOGNEXKVJB-GFCCVEGCSA-N 1 0 231.299 1.302 10 30 BDEERO N#Cc1ccc(CN[C@H]2CC[NH2+]C2)cc1F ZINC000335028863 384009451 /nfs/dbraw/zinc/00/94/51/384009451.db2.gz ZIQLYUMUGFQTPL-NSHDSACASA-N 1 0 219.263 1.149 10 30 BDEERO C[C@@H](C[NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000336703269 384254966 /nfs/dbraw/zinc/25/49/66/384254966.db2.gz KKWZOGOOASCBEE-QMMMGPOBSA-N 1 0 234.259 1.473 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335587178 384310183 /nfs/dbraw/zinc/31/01/83/384310183.db2.gz ZENDNFXCMYVHIT-GXFFZTMASA-N 1 0 248.301 1.900 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1cnc(C#N)cn1 ZINC000070581566 384589655 /nfs/dbraw/zinc/58/96/55/384589655.db2.gz WZDFMNJQPNYFJR-VIFPVBQESA-N 1 0 219.292 1.134 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000071140001 384654532 /nfs/dbraw/zinc/65/45/32/384654532.db2.gz RESKUPPWVZYWRR-CYBMUJFWSA-N 1 0 243.310 1.334 10 30 BDEERO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2/C(N)=N/O)O1 ZINC000300028599 385123049 /nfs/dbraw/zinc/12/30/49/385123049.db2.gz JKDIPJIXPWAIQG-VWYCJHECSA-N 1 0 241.335 1.155 10 30 BDEERO Cc1ccnc(N2CC[C@H]([NH+](C)C)C2)c1C#N ZINC000135077279 385147919 /nfs/dbraw/zinc/14/79/19/385147919.db2.gz XCHVEGNTZNBYCY-NSHDSACASA-N 1 0 230.315 1.402 10 30 BDEERO C=C(C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309081928 385400684 /nfs/dbraw/zinc/40/06/84/385400684.db2.gz QYKCSYLIRMKCHZ-ZYHUDNBSSA-N 1 0 208.305 1.209 10 30 BDEERO Cc1cc(NCC(C)(C)[NH3+])cc(C#N)n1 ZINC000308244883 385413380 /nfs/dbraw/zinc/41/33/80/385413380.db2.gz QKNGCVFIFGDKFA-UHFFFAOYSA-N 1 0 204.277 1.411 10 30 BDEERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000343992210 385736543 /nfs/dbraw/zinc/73/65/43/385736543.db2.gz VNFVXWMPOSZIFX-KBPBESRZSA-N 1 0 246.310 1.140 10 30 BDEERO CNC(=O)[C@H]([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000183643002 385739287 /nfs/dbraw/zinc/73/92/87/385739287.db2.gz SSBNBSCVXYOHFY-LLVKDONJSA-N 1 0 239.363 1.677 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc(C#N)c(C)n1 ZINC000309066260 385832772 /nfs/dbraw/zinc/83/27/72/385832772.db2.gz ZPYPFZHAFGCNAB-SNVBAGLBSA-N 1 0 204.277 1.411 10 30 BDEERO C#CC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105896681 533155787 /nfs/dbraw/zinc/15/57/87/533155787.db2.gz FZMVBSRFLAGFPU-GFCCVEGCSA-N 1 0 217.316 1.716 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425528350 386319002 /nfs/dbraw/zinc/31/90/02/386319002.db2.gz QJVCXKISLGAAPJ-MROQNXINSA-N 1 0 222.332 1.771 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1cnccc1C#N ZINC000336644153 386588948 /nfs/dbraw/zinc/58/89/48/386588948.db2.gz BWFVZCBPGOUUEI-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cc(C)ncc1C#N ZINC000399020873 386616465 /nfs/dbraw/zinc/61/64/65/386616465.db2.gz FGXIQGXIKMTGPS-GFCCVEGCSA-N 1 0 232.331 1.613 10 30 BDEERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064324 386672110 /nfs/dbraw/zinc/67/21/10/386672110.db2.gz KGYBTRZGWVCCTP-JQWIXIFHSA-N 1 0 230.315 1.223 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000336666690 386773953 /nfs/dbraw/zinc/77/39/53/386773953.db2.gz PYLOYGDGCAZLCU-ONGXEEELSA-N 1 0 238.722 1.818 10 30 BDEERO CC[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000104204708 387485538 /nfs/dbraw/zinc/48/55/38/387485538.db2.gz YDSYYOVMRBIYAP-GFCCVEGCSA-N 1 0 244.342 1.981 10 30 BDEERO C=C(Cl)CN1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000575541880 387595814 /nfs/dbraw/zinc/59/58/14/387595814.db2.gz LUEWRUSSQKUGII-UWVGGRQHSA-N 1 0 202.729 1.811 10 30 BDEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424134037 387640403 /nfs/dbraw/zinc/64/04/03/387640403.db2.gz HLJQVIWQOPCHHB-CMPLNLGQSA-N 1 0 237.347 1.702 10 30 BDEERO C=C(Cl)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000575555657 387693745 /nfs/dbraw/zinc/69/37/45/387693745.db2.gz ANUPGVFIONXTOU-ZJUUUORDSA-N 1 0 200.713 1.280 10 30 BDEERO C#CC[C@@H]([NH3+])c1ncsc1Br ZINC000575571602 387736573 /nfs/dbraw/zinc/73/65/73/387736573.db2.gz ZPJYXQMXQLHLOZ-RXMQYKEDSA-N 1 0 231.118 1.929 10 30 BDEERO C#CC[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517875 387923022 /nfs/dbraw/zinc/92/30/22/387923022.db2.gz XUZSBODFRWIRIQ-LLVKDONJSA-N 1 0 219.288 1.266 10 30 BDEERO C[C@@H]1C[C@H](O)C[N@@H+]1CC1(C=O)CCCC1 ZINC000306621915 388008936 /nfs/dbraw/zinc/00/89/36/388008936.db2.gz CRCVXXDZZNEPKO-MNOVXSKESA-N 1 0 211.305 1.201 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nc1 ZINC000252673852 388658255 /nfs/dbraw/zinc/65/82/55/388658255.db2.gz MWRHLAMAYUOOLJ-ZDUSSCGKSA-N 1 0 242.326 1.628 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000062965521 388658267 /nfs/dbraw/zinc/65/82/67/388658267.db2.gz BRDGFEVSHKYGMQ-CYBMUJFWSA-N 1 0 247.317 1.833 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)cc(C#N)n1 ZINC000308236257 388658414 /nfs/dbraw/zinc/65/84/14/388658414.db2.gz BPRAARLIUILAHM-WDEREUQCSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1nnc(NC[C@@H]([NH3+])C(C)C)c(C#N)c1C ZINC000124190863 388741544 /nfs/dbraw/zinc/74/15/44/388741544.db2.gz SJNMMRGKSXXZNR-LLVKDONJSA-N 1 0 233.319 1.360 10 30 BDEERO C#CC[C@H]([NH3+])c1nn(C)cc1Br ZINC000575464646 388833018 /nfs/dbraw/zinc/83/30/18/388833018.db2.gz LXZYDEGKPVITCR-ZETCQYMHSA-N 1 0 228.093 1.206 10 30 BDEERO C[C@H]1C[NH2+]CC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495991 388965040 /nfs/dbraw/zinc/96/50/40/388965040.db2.gz CITFZUNAEOPEBA-JOYOIKCWSA-N 1 0 239.319 1.403 10 30 BDEERO C=CC[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265462 132337475 /nfs/dbraw/zinc/33/74/75/132337475.db2.gz DBOXRWCQXSJJHW-UHFFFAOYSA-N 1 0 217.316 1.577 10 30 BDEERO N#Cc1cccc(N2CCC([NH3+])CC2)c1 ZINC000039118772 132346744 /nfs/dbraw/zinc/34/67/44/132346744.db2.gz IOTATSXBYFMYCH-UHFFFAOYSA-N 1 0 201.273 1.486 10 30 BDEERO C[C@H]1CN(c2cc(C#N)ccn2)C[C@H](C)[NH2+]1 ZINC000053711460 132363449 /nfs/dbraw/zinc/36/34/49/132363449.db2.gz YDCSOGVUOWYPNU-UWVGGRQHSA-N 1 0 216.288 1.140 10 30 BDEERO C[C@@H]1CN(c2cccc(C#N)c2)CC[NH2+]1 ZINC000054348226 132364065 /nfs/dbraw/zinc/36/40/65/132364065.db2.gz BFRBTXRKEIQILE-SNVBAGLBSA-N 1 0 201.273 1.356 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(C#N)cn1 ZINC000063197099 132389311 /nfs/dbraw/zinc/38/93/11/132389311.db2.gz HNVDLUIQKZIPKU-PWSUYJOCSA-N 1 0 230.315 1.659 10 30 BDEERO C[C@H]1CCN(c2ccc(C#N)cn2)[C@@H](C[NH3+])C1 ZINC000235675169 132402687 /nfs/dbraw/zinc/40/26/87/132402687.db2.gz MBCCGICFERGWME-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO C=CCOCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000304213890 134236735 /nfs/dbraw/zinc/23/67/35/134236735.db2.gz FUKKVXZCENGRLU-ZDUSSCGKSA-N 1 0 224.348 1.359 10 30 BDEERO CN/C(=[NH+]/C)N1CCC(Oc2ccccc2)CC1 ZINC000155729013 134817326 /nfs/dbraw/zinc/81/73/26/134817326.db2.gz FHTYDGQYPXCICB-UHFFFAOYSA-N 1 0 247.342 1.735 10 30 BDEERO C#CCCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246942665 134965827 /nfs/dbraw/zinc/96/58/27/134965827.db2.gz KBSYRPBTHYHNMW-OLZOCXBDSA-N 1 0 249.358 1.278 10 30 BDEERO CCCCC[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000070662776 135006414 /nfs/dbraw/zinc/00/64/14/135006414.db2.gz ZPPPEZGBPSNAQZ-JTQLQIEISA-N 1 0 213.325 1.778 10 30 BDEERO N#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337273394 135009706 /nfs/dbraw/zinc/00/97/06/135009706.db2.gz CRSLVKIMANTPJJ-JHJVBQTASA-N 1 0 222.332 1.916 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000249057333 135030556 /nfs/dbraw/zinc/03/05/56/135030556.db2.gz ZBCQHBBLQHFXPS-GRYCIOLGSA-N 1 0 245.330 1.785 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C#N ZINC000252674982 135096130 /nfs/dbraw/zinc/09/61/30/135096130.db2.gz WLLDFFGPRQUGEM-MNOVXSKESA-N 1 0 235.331 1.231 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000259087808 135136932 /nfs/dbraw/zinc/13/69/32/135136932.db2.gz DJHFPAYCPZRERL-GFCCVEGCSA-N 1 0 219.332 1.460 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000259147755 135137371 /nfs/dbraw/zinc/13/73/71/135137371.db2.gz JCEGYNMGTVCFEV-GFCCVEGCSA-N 1 0 219.332 1.460 10 30 BDEERO CC[C@H]([NH3+])CNc1nnc(C)c(C)c1C#N ZINC000087615607 135160228 /nfs/dbraw/zinc/16/02/28/135160228.db2.gz BGONSDYDDQYYJC-VIFPVBQESA-N 1 0 219.292 1.114 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1nccnc1C#N ZINC000087780052 135168617 /nfs/dbraw/zinc/16/86/17/135168617.db2.gz LHTZDMVWXDZYNS-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cn2)CC[C@@H]1[NH3+] ZINC000261543921 135184456 /nfs/dbraw/zinc/18/44/56/135184456.db2.gz DGNGZBJCQAMKCD-NSHDSACASA-N 1 0 230.315 1.517 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042237853 135219629 /nfs/dbraw/zinc/21/96/29/135219629.db2.gz UJLYIUBTOHYNRP-QWHCGFSZSA-N 1 0 244.338 1.784 10 30 BDEERO CN1CC[NH+]=C1NCc1cc(F)cc(F)c1 ZINC000261859517 135258146 /nfs/dbraw/zinc/25/81/46/135258146.db2.gz ALCFHILOGREPHU-UHFFFAOYSA-N 1 0 225.242 1.356 10 30 BDEERO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@@H]2C2CCCCC2)N1 ZINC000262474617 135300998 /nfs/dbraw/zinc/30/09/98/135300998.db2.gz BWEPHJXKNANMDO-YUSALJHKSA-N 1 0 221.348 1.893 10 30 BDEERO C[NH+]=C(NCc1scnc1C)N[C@@H]1C[C@@H]1C ZINC000262854860 135321890 /nfs/dbraw/zinc/32/18/90/135321890.db2.gz XWWMMGXJHPNAIC-IONNQARKSA-N 1 0 238.360 1.525 10 30 BDEERO N/C(=N/O)[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000079812656 135362518 /nfs/dbraw/zinc/36/25/18/135362518.db2.gz KPLMZPPGUFYFPP-CYBMUJFWSA-N 1 0 247.342 1.830 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000282274005 135371201 /nfs/dbraw/zinc/37/12/01/135371201.db2.gz HUCNJUVIDDMQRV-JSGCOSHPSA-N 1 0 242.322 1.295 10 30 BDEERO C=C(C)CN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000105914833 397786426 /nfs/dbraw/zinc/78/64/26/397786426.db2.gz CYXVJTWHPVZKTQ-CQSZACIVSA-N 1 0 240.391 1.995 10 30 BDEERO C[NH2+]C(C)(C)C(=O)Nc1sccc1C#N ZINC000061318595 173319029 /nfs/dbraw/zinc/31/90/29/173319029.db2.gz ZYONRMIMZDWXNZ-UHFFFAOYSA-N 1 0 223.301 1.556 10 30 BDEERO C#CCC[NH2+]Cc1ccccc1-n1cccn1 ZINC000104345761 166147976 /nfs/dbraw/zinc/14/79/76/166147976.db2.gz JDAJGLIVJICIBD-UHFFFAOYSA-N 1 0 225.295 1.985 10 30 BDEERO C=C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091734 409671937 /nfs/dbraw/zinc/67/19/37/409671937.db2.gz FZPLQYGDPHYPML-BWZBUEFSSA-N 1 0 236.237 1.075 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662629314 409801512 /nfs/dbraw/zinc/80/15/12/409801512.db2.gz AVNJINTWGQEUGG-OLZOCXBDSA-N 1 0 236.359 1.801 10 30 BDEERO C#CCNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000037697774 166184499 /nfs/dbraw/zinc/18/44/99/166184499.db2.gz GPDAIYPNEUUSTF-MNOVXSKESA-N 1 0 246.310 1.223 10 30 BDEERO C=CC[NH+](CC=C)C[C@H](O)c1cccnc1 ZINC000062355414 166333961 /nfs/dbraw/zinc/33/39/61/166333961.db2.gz DELIUGZWXZOUOM-ZDUSSCGKSA-N 1 0 218.300 1.789 10 30 BDEERO C=CCNC(=O)COc1ccccc1C[C@@H](C)[NH3+] ZINC000037724215 166372260 /nfs/dbraw/zinc/37/22/60/166372260.db2.gz CDIVEBYGPIRCIK-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO CC(C)C[N@H+](C)Cc1cccc(/C(N)=N/O)c1 ZINC000037108632 166939503 /nfs/dbraw/zinc/93/95/03/166939503.db2.gz LPJCKBDERXNUFG-UHFFFAOYSA-N 1 0 235.331 1.869 10 30 BDEERO CC(C)[NH2+]C[C@H](O)CN(C)c1ccc(C#N)cc1 ZINC000061950809 167114675 /nfs/dbraw/zinc/11/46/75/167114675.db2.gz HIWXLNCQNWZGFJ-AWEZNQCLSA-N 1 0 247.342 1.353 10 30 BDEERO CC(C)N[C@H](C#N)CCN1CCOCC1(C)C ZINC000062437341 167136493 /nfs/dbraw/zinc/13/64/93/167136493.db2.gz KKGYTZWEMUCVKV-LBPRGKRZSA-N 1 0 239.363 1.377 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)NCC[N@H+](C)C(C)C ZINC000054134162 167340822 /nfs/dbraw/zinc/34/08/22/167340822.db2.gz VXZGGMCZLVPICC-LLVKDONJSA-N 1 0 225.336 1.239 10 30 BDEERO C=CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000131297563 411176208 /nfs/dbraw/zinc/17/62/08/411176208.db2.gz NCDKYOOEGLWJAF-CMPLNLGQSA-N 1 0 222.332 1.538 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000662168449 411372157 /nfs/dbraw/zinc/37/21/57/411372157.db2.gz HBPXXIDRNWFIQA-VHSXEESVSA-N 1 0 219.275 1.948 10 30 BDEERO CCC(=O)Nc1ccc(C#CC[NH3+])c(C)c1 ZINC000037654045 168243749 /nfs/dbraw/zinc/24/37/49/168243749.db2.gz BNESEGGIJYWNLW-UHFFFAOYSA-N 1 0 216.284 1.654 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)cn1 ZINC000038043484 170112620 /nfs/dbraw/zinc/11/26/20/170112620.db2.gz RQPWECHXRNPINZ-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO CC[NH2+]CCCNc1ccccc1C#N ZINC000038043429 170112665 /nfs/dbraw/zinc/11/26/65/170112665.db2.gz CVRWDQIBFNWQMR-UHFFFAOYSA-N 1 0 203.289 1.970 10 30 BDEERO CC[NH2+]CCCNc1ncccc1C#N ZINC000038043497 170113070 /nfs/dbraw/zinc/11/30/70/170113070.db2.gz VKJBKXVFYZKECF-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO CCN[C@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369191 170155802 /nfs/dbraw/zinc/15/58/02/170155802.db2.gz IIIWSPSXUZHKDO-HNNXBMFYSA-N 1 0 243.354 1.936 10 30 BDEERO CCOC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587459 170242738 /nfs/dbraw/zinc/24/27/38/170242738.db2.gz KQUZQTFDBNUXCG-NSHDSACASA-N 1 0 246.310 1.804 10 30 BDEERO CC[C@H](C)CNC(=O)c1cncc(C#CC[NH3+])c1 ZINC000054491049 171283785 /nfs/dbraw/zinc/28/37/85/171283785.db2.gz QMMQELUWZNBPIW-NSHDSACASA-N 1 0 245.326 1.168 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054825844 171322590 /nfs/dbraw/zinc/32/25/90/171322590.db2.gz BWPXJWYXBSKWME-QJPTWQEYSA-N 1 0 237.347 1.573 10 30 BDEERO CC[C@H]([NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000036871861 171484209 /nfs/dbraw/zinc/48/42/09/171484209.db2.gz MMTBPRLBVKFQKA-VIFPVBQESA-N 1 0 221.235 1.373 10 30 BDEERO C=CCOCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000662664313 412263228 /nfs/dbraw/zinc/26/32/28/412263228.db2.gz RCUUXSOXRSEWLR-NSHDSACASA-N 1 0 228.336 1.069 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662631072 412250313 /nfs/dbraw/zinc/25/03/13/412250313.db2.gz PALIOXCYOWVLKA-NWDGAFQWSA-N 1 0 222.332 1.411 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662631074 412250404 /nfs/dbraw/zinc/25/04/04/412250404.db2.gz PALIOXCYOWVLKA-VXGBXAGGSA-N 1 0 222.332 1.411 10 30 BDEERO CN(C[C@H]1CCC[N@H+](C)C1)c1nccc(C#N)n1 ZINC000297236549 173041546 /nfs/dbraw/zinc/04/15/46/173041546.db2.gz UJGLYIPHSCPUER-NSHDSACASA-N 1 0 245.330 1.126 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cc2N)C1 ZINC000042545054 173125364 /nfs/dbraw/zinc/12/53/64/173125364.db2.gz JVROYZACVHFQME-SNVBAGLBSA-N 1 0 216.288 1.256 10 30 BDEERO C[NH2+]CCCC(=O)N(C)c1ccccc1C#N ZINC000077361294 173343290 /nfs/dbraw/zinc/34/32/90/173343290.db2.gz PLEQBNLVODZFTI-UHFFFAOYSA-N 1 0 231.299 1.521 10 30 BDEERO C[NH2+]CCNc1cccc(Cl)c1C#N ZINC000054244890 173356816 /nfs/dbraw/zinc/35/68/16/173356816.db2.gz ZMQQGGBCWDOXDB-UHFFFAOYSA-N 1 0 209.680 1.843 10 30 BDEERO COC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692062 173662954 /nfs/dbraw/zinc/66/29/54/173662954.db2.gz PPBAEKIMWZXOMT-UHFFFAOYSA-N 1 0 238.674 1.829 10 30 BDEERO COCC[N@H+](CCC/C(N)=N/O)[C@@H](C)C1CC1 ZINC000042679922 174290086 /nfs/dbraw/zinc/29/00/86/174290086.db2.gz PEAFFVKPMXDONU-JTQLQIEISA-N 1 0 243.351 1.260 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1Cn1ccnc1 ZINC000049610071 175051042 /nfs/dbraw/zinc/05/10/42/175051042.db2.gz RNZXZZGSYBJQET-UHFFFAOYSA-N 1 0 241.294 1.250 10 30 BDEERO COc1ccc2c(c1)CCCC2=NNC(N)=[NH2+] ZINC000029227016 175208152 /nfs/dbraw/zinc/20/81/52/175208152.db2.gz RIWPLLRKLPJXGL-PTNGSMBKSA-N 1 0 232.287 1.009 10 30 BDEERO C[C@@H](CC[NH3+])C(=O)Nc1ccccc1C#N ZINC000076609113 175672125 /nfs/dbraw/zinc/67/21/25/175672125.db2.gz NHKUWPQSBKHESI-VIFPVBQESA-N 1 0 217.272 1.482 10 30 BDEERO C[C@@H]1CN(c2cccnc2C#N)C[C@H]1[NH+](C)C ZINC000251825686 176319848 /nfs/dbraw/zinc/31/98/48/176319848.db2.gz PFECSOUAEOMHAC-ZWNOBZJWSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H](CC[NH+](C)C)Nc1ccc(N)cc1C#N ZINC000049555447 176626534 /nfs/dbraw/zinc/62/65/34/176626534.db2.gz QVAMGSSVRPVIQS-SNVBAGLBSA-N 1 0 232.331 1.893 10 30 BDEERO C[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000054338768 176657624 /nfs/dbraw/zinc/65/76/24/176657624.db2.gz AFFISNSKYQMMLG-SSDOTTSWSA-N 1 0 237.690 1.745 10 30 BDEERO C[C@H](C[NH+]1CCCC1)NC(=O)C1(C#N)CCCC1 ZINC000044366369 176664846 /nfs/dbraw/zinc/66/48/46/176664846.db2.gz CVRNYGWHRRVCLF-GFCCVEGCSA-N 1 0 249.358 1.671 10 30 BDEERO C[C@H](S)[C@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083663899 177026161 /nfs/dbraw/zinc/02/61/61/177026161.db2.gz SFSPDSYQCYNMPH-WRWORJQWSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1CN(c2ncccc2C#N)C[C@@H]1[NH+](C)C ZINC000123985566 177278154 /nfs/dbraw/zinc/27/81/54/177278154.db2.gz IYKUBQJGWGIBBG-JQWIXIFHSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)o1 ZINC000093437425 177280684 /nfs/dbraw/zinc/28/06/84/177280684.db2.gz UNEGAKGKBNTLDO-NWDGAFQWSA-N 1 0 245.326 1.820 10 30 BDEERO C[C@H]1C[NH2+]CCN1CC#Cc1ccccc1 ZINC000054374533 177284311 /nfs/dbraw/zinc/28/43/11/177284311.db2.gz MUCITOIZNVUEJK-ZDUSSCGKSA-N 1 0 214.312 1.332 10 30 BDEERO C[C@H]1C[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000052299565 177348722 /nfs/dbraw/zinc/34/87/22/177348722.db2.gz OYLAPQMWVFRQPV-GWCFXTLKSA-N 1 0 228.295 1.135 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000282233978 177393566 /nfs/dbraw/zinc/39/35/66/177393566.db2.gz FSFZIXUJQJOAGP-MFKMUULPSA-N 1 0 243.310 1.315 10 30 BDEERO Cc1cc(NCC[C@@H](C)[NH3+])cc(C#N)n1 ZINC000308246210 229225282 /nfs/dbraw/zinc/22/52/82/229225282.db2.gz WORIURXAGSVMFX-MRVPVSSYSA-N 1 0 204.277 1.411 10 30 BDEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1F ZINC000404053638 229362302 /nfs/dbraw/zinc/36/23/02/229362302.db2.gz GBZJOVUYMREUSL-JSGCOSHPSA-N 1 0 248.301 1.948 10 30 BDEERO C=CCOCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398758162 262768922 /nfs/dbraw/zinc/76/89/22/262768922.db2.gz AMGPQVNQDZORMM-XQQFMLRXSA-N 1 0 225.332 1.282 10 30 BDEERO C=CCSCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308544444 323175368 /nfs/dbraw/zinc/17/53/68/323175368.db2.gz NQAXKEXVNHDSHN-SNVBAGLBSA-N 1 0 217.378 1.902 10 30 BDEERO C[C@H]1COC[C@H](C)[NH+]1CCCSCC#N ZINC000074991374 325273651 /nfs/dbraw/zinc/27/36/51/325273651.db2.gz RSLOOJOVWPDRRA-QWRGUYRKSA-N 1 0 228.361 1.742 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000390615803 488170245 /nfs/dbraw/zinc/17/02/45/488170245.db2.gz GVAIMHPOTIWBTI-WDEREUQCSA-N 1 0 222.332 1.435 10 30 BDEERO CC1(C)C[C@H]1NC(=[NH2+])N1CCCCCC1 ZINC000262425241 534901648 /nfs/dbraw/zinc/90/16/48/534901648.db2.gz BCJGXAQHSBFIRW-SNVBAGLBSA-N 1 0 209.337 1.976 10 30 BDEERO CCCON=C[C@@H](O)C[NH2+]C(C)(C)C ZINC000394710259 581093815 /nfs/dbraw/zinc/09/38/15/581093815.db2.gz SMJOAFHPQBEWCA-VIFPVBQESA-N 1 0 202.298 1.148 10 30 BDEERO CC(C)([NH3+])CNc1snc(Cl)c1C#N ZINC000306180849 631288507 /nfs/dbraw/zinc/28/85/07/631288507.db2.gz MSIOEXPYVIPMMS-UHFFFAOYSA-N 1 0 230.724 1.817 10 30 BDEERO C[NH2+][C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000234485013 631542791 /nfs/dbraw/zinc/54/27/91/631542791.db2.gz UJKSZISSBSRDHS-LURJTMIESA-N 1 0 242.735 1.466 10 30 BDEERO N#Cc1cccnc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000309498895 632416117 /nfs/dbraw/zinc/41/61/17/632416117.db2.gz ZQAZMEIHUNCYEP-GXSJLCMTSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1nnc(NC[C@@H]2CC[C@H]([NH3+])C2)c(C#N)c1C ZINC000310913338 633015904 /nfs/dbraw/zinc/01/59/04/633015904.db2.gz RCQKHCJKUXEMIY-MNOVXSKESA-N 1 0 245.330 1.504 10 30 BDEERO C=C(Cl)CNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000162330812 634063222 /nfs/dbraw/zinc/06/32/22/634063222.db2.gz HWWPRKDMAJRIAN-HTRCEHHLSA-N 1 0 204.701 1.229 10 30 BDEERO OC1CC(C[NH2+]CC#Cc2ccccc2)C1 ZINC000084448701 636875927 /nfs/dbraw/zinc/87/59/27/636875927.db2.gz PQMZFYLGKWFFPZ-UHFFFAOYSA-N 1 0 215.296 1.399 10 30 BDEERO Cc1cc(C#N)ccc1COC1C[NH2+]C1 ZINC000229181759 640930493 /nfs/dbraw/zinc/93/04/93/640930493.db2.gz PQGKXVWEYMBTKX-UHFFFAOYSA-N 1 0 202.257 1.355 10 30 BDEERO CCCCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000159275748 641674706 /nfs/dbraw/zinc/67/47/06/641674706.db2.gz UYEVPPYMVCSEBT-LBPRGKRZSA-N 1 0 215.337 1.650 10 30 BDEERO CCN(c1cc(C)nc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000308235480 642517411 /nfs/dbraw/zinc/51/74/11/642517411.db2.gz BUHMRKHPALUWKR-GFCCVEGCSA-N 1 0 230.315 1.450 10 30 BDEERO C#CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000070246111 643005244 /nfs/dbraw/zinc/00/52/44/643005244.db2.gz HPHXCYOANQHURM-UHFFFAOYSA-N 1 0 244.338 1.636 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCCC1 ZINC000081722270 644340119 /nfs/dbraw/zinc/34/01/19/644340119.db2.gz ZOKREYTUJIZSQQ-NWDGAFQWSA-N 1 0 239.363 1.209 10 30 BDEERO CC1(C)CN(c2cccc(C#N)n2)C[C@H]1[NH3+] ZINC000720748434 712863101 /nfs/dbraw/zinc/86/31/01/712863101.db2.gz QINOPNPCMPROLK-SNVBAGLBSA-N 1 0 216.288 1.127 10 30 BDEERO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCO ZINC000052762755 711636814 /nfs/dbraw/zinc/63/68/14/711636814.db2.gz MYTDYFDDINCVFL-SNVBAGLBSA-N 1 0 203.713 1.976 10 30 BDEERO Cc1cc(N[C@@H]2C[NH2+]CC2(C)C)cc(C#N)n1 ZINC000721977345 711856097 /nfs/dbraw/zinc/85/60/97/711856097.db2.gz SMODHIFZWAEBJY-GFCCVEGCSA-N 1 0 230.315 1.094 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721984446 711857963 /nfs/dbraw/zinc/85/79/63/711857963.db2.gz PQTMVUBDEDEEOS-LLVKDONJSA-N 1 0 230.315 1.672 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721984447 711857966 /nfs/dbraw/zinc/85/79/66/711857966.db2.gz PQTMVUBDEDEEOS-NSHDSACASA-N 1 0 230.315 1.672 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000702649567 712058769 /nfs/dbraw/zinc/05/87/69/712058769.db2.gz LNGPXPYMTQBEOV-WCBMZHEXSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@H](C(N)=O)[N@H+](C)CCCCC(C)(C)C#N ZINC000711136117 712286529 /nfs/dbraw/zinc/28/65/29/712286529.db2.gz XVLZNFFLMXVKJS-SNVBAGLBSA-N 1 0 225.336 1.512 10 30 BDEERO CC1(C)CN(c2cccc(F)c2C#N)C[C@@H]1[NH3+] ZINC000720815584 712868492 /nfs/dbraw/zinc/86/84/92/712868492.db2.gz FWJBGVLBZORBIJ-LBPRGKRZSA-N 1 0 233.290 1.871 10 30 BDEERO C=CC[C@H](C=C)OCC(F)(F)CNC ZINC000685957046 538903879 /nfs/dbraw/zinc/90/38/79/538903879.db2.gz QMKISKZYACURIY-VIFPVBQESA-N 1 0 205.248 1.988 10 30 BDEERO C=C(C)CC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685958908 538906353 /nfs/dbraw/zinc/90/63/53/538906353.db2.gz FRBMDRZLMQPWDG-CQSZACIVSA-N 1 0 246.354 1.981 10 30 BDEERO CC#CCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961658 538908421 /nfs/dbraw/zinc/90/84/21/538908421.db2.gz MZOKTEZJKOVRSS-WFASDCNBSA-N 1 0 245.322 1.902 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000397670277 398190196 /nfs/dbraw/zinc/19/01/96/398190196.db2.gz NIPHKRNKJMIUND-GHMZBOCLSA-N 1 0 208.305 1.573 10 30 BDEERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000308273091 178118971 /nfs/dbraw/zinc/11/89/71/178118971.db2.gz SRDKTLVAPSZRSI-LBPRGKRZSA-N 1 0 230.315 1.402 10 30 BDEERO C=C(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568708 538938190 /nfs/dbraw/zinc/93/81/90/538938190.db2.gz CRUPULXSTPSCLF-UONOGXRCSA-N 1 0 244.338 1.824 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000226069380 178363345 /nfs/dbraw/zinc/36/33/45/178363345.db2.gz BVRSIAMEFVYZPU-MFKMUULPSA-N 1 0 244.342 1.648 10 30 BDEERO CCC(CC)[N@H+](CCOC)C[C@@H](C)/C(N)=N/O ZINC000042679915 168373772 /nfs/dbraw/zinc/37/37/72/168373772.db2.gz FDAZWRILICNATG-SNVBAGLBSA-N 1 0 245.367 1.506 10 30 BDEERO Cc1cc(NC2CC[NH2+]CC2)cc(C#N)n1 ZINC000308245690 346851435 /nfs/dbraw/zinc/85/14/35/346851435.db2.gz SQFFFYWKQBFVLF-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)nc1 ZINC000320779583 342739773 /nfs/dbraw/zinc/73/97/73/342739773.db2.gz ZONYWLQOGLNVGZ-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO C=C(C)C[C@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000130860686 398284998 /nfs/dbraw/zinc/28/49/98/398284998.db2.gz ZPVOGKMEOBHTMS-VHSXEESVSA-N 1 0 217.334 1.247 10 30 BDEERO N#Cc1cccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000602602227 349625390 /nfs/dbraw/zinc/62/53/90/349625390.db2.gz BNVYUOPDGZJYMG-GXSJLCMTSA-N 1 0 233.246 1.197 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C#N ZINC000111304602 398302937 /nfs/dbraw/zinc/30/29/37/398302937.db2.gz FFBHTWFOSSRWHB-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO O=C(Cc1cncnc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329773521 136262658 /nfs/dbraw/zinc/26/26/58/136262658.db2.gz IBBYLPKYUJWLOP-LLVKDONJSA-N 1 0 246.314 1.212 10 30 BDEERO C[N@@H+]1CC[C@@]2(CCN(CC3(C#N)CCC3)C2)C1 ZINC000336269983 136263710 /nfs/dbraw/zinc/26/37/10/136263710.db2.gz ANYGLLJBORMUTE-CQSZACIVSA-N 1 0 233.359 1.708 10 30 BDEERO COCCC[NH+]1[C@@H](C)CC(C=O)C[C@@H]1C ZINC000584883516 343086209 /nfs/dbraw/zinc/08/62/09/343086209.db2.gz QTCPTYLHANFGMV-QWRGUYRKSA-N 1 0 213.321 1.711 10 30 BDEERO 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/nfs/dbraw/zinc/30/22/05/188302205.db2.gz HXQLZDJPSIJAII-UHFFFAOYSA-N 1 0 216.712 1.373 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000071140026 188305594 /nfs/dbraw/zinc/30/55/94/188305594.db2.gz ZXXASGVHFQWREO-GFCCVEGCSA-N 1 0 244.342 1.710 10 30 BDEERO CNC(=[NH2+])SCC(F)(F)C(F)F ZINC000072232839 188307362 /nfs/dbraw/zinc/30/73/62/188307362.db2.gz VORGWKSKUCKBEF-UHFFFAOYSA-N 1 0 204.192 1.565 10 30 BDEERO C#CCN1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000045117463 188326382 /nfs/dbraw/zinc/32/63/82/188326382.db2.gz GKYSEVLEJLDMTM-LBPRGKRZSA-N 1 0 206.333 1.472 10 30 BDEERO N#CCCCC[N@H+]1CCC[C@H]1CCCO ZINC000052759676 188333355 /nfs/dbraw/zinc/33/33/55/188333355.db2.gz SZRRVISYJCDDEC-LBPRGKRZSA-N 1 0 210.321 1.917 10 30 BDEERO C=CCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000054400999 188353727 /nfs/dbraw/zinc/35/37/27/188353727.db2.gz UXWLLGHHDYKYCC-MNOVXSKESA-N 1 0 208.305 1.306 10 30 BDEERO C#CC[NH+]1CCC(NCc2nccs2)CC1 ZINC000041012766 188396650 /nfs/dbraw/zinc/39/66/50/188396650.db2.gz CWUGWOGDWJDFFG-UHFFFAOYSA-N 1 0 235.356 1.330 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862274 188397002 /nfs/dbraw/zinc/39/70/02/188397002.db2.gz CJIAAGZHMQBWAV-RWMBFGLXSA-N 1 0 236.359 1.540 10 30 BDEERO C=C(Br)COC[C@H]1CC[NH2+]C1 ZINC000051888479 188399909 /nfs/dbraw/zinc/39/99/09/188399909.db2.gz CTMYESSXBHPFOH-QMMMGPOBSA-N 1 0 220.110 1.521 10 30 BDEERO CC(C)N/C(=[NH+]/N)[C@@H]1CCC(F)(F)C1 ZINC000300979283 363246437 /nfs/dbraw/zinc/24/64/37/363246437.db2.gz KGAOUBVNTDERCH-SSDOTTSWSA-N 1 0 205.252 1.692 10 30 BDEERO C#CC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195281774 353741224 /nfs/dbraw/zinc/74/12/24/353741224.db2.gz VKIPUWGTRYDDMJ-HNNXBMFYSA-N 1 0 243.354 1.469 10 30 BDEERO N#CC1(Nc2ccccc2)CC[NH2+]CC1 ZINC000040695133 181030565 /nfs/dbraw/zinc/03/05/65/181030565.db2.gz FPDKTTQWCRCRAJ-UHFFFAOYSA-N 1 0 201.273 1.744 10 30 BDEERO N#CCCN(C(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000038099429 181037221 /nfs/dbraw/zinc/03/72/21/181037221.db2.gz CTRXUTGCWLZNHW-LLVKDONJSA-N 1 0 221.304 1.033 10 30 BDEERO N#CCCN(N)C1=[NH+]c2ccccc2C1 ZINC000101213493 181037690 /nfs/dbraw/zinc/03/76/90/181037690.db2.gz BRECJJVTVHGXST-UHFFFAOYSA-N 1 0 200.245 1.362 10 30 BDEERO N#CCN(CC#N)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042971061 181040714 /nfs/dbraw/zinc/04/07/14/181040714.db2.gz SHPZYANODCEFSX-LBPRGKRZSA-N 1 0 232.262 1.175 10 30 BDEERO N#CCOc1cccc(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738700 181043775 /nfs/dbraw/zinc/04/37/75/181043775.db2.gz BTKDAEWLYNTCPP-ZDUSSCGKSA-N 1 0 246.310 1.715 10 30 BDEERO N#CCN(CC#N)[C@@H](C[NH3+])c1ccccc1Cl ZINC000043051109 181040408 /nfs/dbraw/zinc/04/04/08/181040408.db2.gz QOQQXKFJJGXTFT-LBPRGKRZSA-N 1 0 248.717 1.689 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825750 181059657 /nfs/dbraw/zinc/05/96/57/181059657.db2.gz WFONYVCMTRRFHH-OBJOEFQTSA-N 1 0 233.359 1.753 10 30 BDEERO N#C[C@H](C1CCCC1)N1CCC[NH2+]CC1 ZINC000050272510 181062460 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/nfs/dbraw/zinc/10/68/88/181106888.db2.gz JOSZHUGVMBSOHK-UHFFFAOYSA-N 1 0 243.310 1.317 10 30 BDEERO N#Cc1ccc(NC(=O)C2(C[NH3+])CC2)cc1 ZINC000077307244 181117628 /nfs/dbraw/zinc/11/76/28/181117628.db2.gz OYAAFPPYTWYXJM-UHFFFAOYSA-N 1 0 215.256 1.236 10 30 BDEERO N#Cc1cccc(N2CC[C@@H](C[NH3+])C2)c1 ZINC000050250847 181139297 /nfs/dbraw/zinc/13/92/97/181139297.db2.gz YFIQQSHNCFWDQT-NSHDSACASA-N 1 0 201.273 1.343 10 30 BDEERO N#Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049374 181135435 /nfs/dbraw/zinc/13/54/35/181135435.db2.gz RRIAZJSVYVLYKZ-QWHCGFSZSA-N 1 0 243.310 1.558 10 30 BDEERO N#Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038049377 181135667 /nfs/dbraw/zinc/13/56/67/181135667.db2.gz RRIAZJSVYVLYKZ-OLZOCXBDSA-N 1 0 243.310 1.558 10 30 BDEERO N#Cc1cccc(NC(=O)C2(C[NH3+])CC2)c1 ZINC000077307242 181140015 /nfs/dbraw/zinc/14/00/15/181140015.db2.gz ZYFQSUNMXFKPSU-UHFFFAOYSA-N 1 0 215.256 1.236 10 30 BDEERO N#Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000019409271 181140944 /nfs/dbraw/zinc/14/09/44/181140944.db2.gz AYPILCCSMCIHNA-NSHDSACASA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1ccccc1C[NH2+]C[C@H]1COCCO1 ZINC000037999949 181146038 /nfs/dbraw/zinc/14/60/38/181146038.db2.gz ZKGZNVSQPFPYBP-ZDUSSCGKSA-N 1 0 232.283 1.063 10 30 BDEERO N#Cc1ccccc1Cn1ccnc1C[NH3+] ZINC000051004146 181147452 /nfs/dbraw/zinc/14/74/52/181147452.db2.gz ONRCJRMWYNEVCN-UHFFFAOYSA-N 1 0 212.256 1.262 10 30 BDEERO N#Cc1ccccc1N1CCC[C@H]1C[NH3+] ZINC000082638981 181147723 /nfs/dbraw/zinc/14/77/23/181147723.db2.gz QPYUUEAXMRAEGK-NSHDSACASA-N 1 0 201.273 1.486 10 30 BDEERO N#Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054305649 181147846 /nfs/dbraw/zinc/14/78/46/181147846.db2.gz PINVTJTXVJOZGS-NSHDSACASA-N 1 0 243.310 1.886 10 30 BDEERO N#Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019408599 181147921 /nfs/dbraw/zinc/14/79/21/181147921.db2.gz SOIWDBTZJJJJOK-LLVKDONJSA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1ccccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112353 181148054 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BFEOJGZEPFWQLO-SECBINFHSA-N 1 0 247.180 1.967 10 30 BDEERO C=C(Br)CNc1[nH+]ccn1C ZINC000168327670 356897471 /nfs/dbraw/zinc/89/74/71/356897471.db2.gz LBHIGFRXXCHBMC-UHFFFAOYSA-N 1 0 216.082 1.741 10 30 BDEERO C=CCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231447957 357615736 /nfs/dbraw/zinc/61/57/36/357615736.db2.gz BGIQOBDGUNXUAM-LLVKDONJSA-N 1 0 222.332 1.696 10 30 BDEERO CN1CCC[N@H+](CCCC(C)(C)C#N)CC1=O ZINC000191111795 357752114 /nfs/dbraw/zinc/75/21/14/357752114.db2.gz KWNAAAUQCIOUHE-UHFFFAOYSA-N 1 0 237.347 1.480 10 30 BDEERO C#CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000192115471 357823132 /nfs/dbraw/zinc/82/31/32/357823132.db2.gz IJEUABQIPNIRPM-QWHCGFSZSA-N 1 0 234.343 1.485 10 30 BDEERO CCn1cnnc1C1CC[NH+](CCCC#N)CC1 ZINC000105929384 357779202 /nfs/dbraw/zinc/77/92/02/357779202.db2.gz ZCJNCQITXWNDCK-UHFFFAOYSA-N 1 0 247.346 1.781 10 30 BDEERO CC#CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000120039688 134227074 /nfs/dbraw/zinc/22/70/74/134227074.db2.gz WZIZOELFSQLFPY-GFCCVEGCSA-N 1 0 203.289 1.960 10 30 BDEERO N#C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1O ZINC000584636427 358320984 /nfs/dbraw/zinc/32/09/84/358320984.db2.gz DMDSRHXRNOWSTL-UONOGXRCSA-N 1 0 230.311 1.435 10 30 BDEERO Cn1ccnc1CC1CC[NH+](CCCC#N)CC1 ZINC000105875947 358436974 /nfs/dbraw/zinc/43/69/74/358436974.db2.gz GVFMDZBIANHPMF-UHFFFAOYSA-N 1 0 246.358 1.978 10 30 BDEERO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])ccc1C#N ZINC000320775515 359338289 /nfs/dbraw/zinc/33/82/89/359338289.db2.gz ZAJAMPCXVFDGFH-BDAKNGLRSA-N 1 0 218.304 1.799 10 30 BDEERO CC1(C)C[N@H+](CCCS)CCCO1 ZINC000306258519 359474972 /nfs/dbraw/zinc/47/49/72/359474972.db2.gz RSXRKSNPUNROEZ-UHFFFAOYSA-N 1 0 203.351 1.807 10 30 BDEERO C[C@H](CS)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000306312782 359594122 /nfs/dbraw/zinc/59/41/22/359594122.db2.gz NVCMDAGIGNXAHM-IUCAKERBSA-N 1 0 203.351 1.398 10 30 BDEERO N#CCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000397180350 359645024 /nfs/dbraw/zinc/64/50/24/359645024.db2.gz HLNYRXXNMOHHGX-VXGBXAGGSA-N 1 0 208.305 1.525 10 30 BDEERO C=C(Br)CN1CC2=C(C[NH2+]C2)C1 ZINC000306469049 360084270 /nfs/dbraw/zinc/08/42/70/360084270.db2.gz OADJDHCIEGAZKR-UHFFFAOYSA-N 1 0 229.121 1.110 10 30 BDEERO N#Cc1ccc(NC2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000091394605 360113764 /nfs/dbraw/zinc/11/37/64/360113764.db2.gz FIWFWZBSTRXBKZ-UHFFFAOYSA-N 1 0 241.216 1.961 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@H](CO)c1ccccc1 ZINC000309528498 491149980 /nfs/dbraw/zinc/14/99/80/491149980.db2.gz BLNPIJHNOORYOM-CHWSQXEVSA-N 1 0 221.300 1.247 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@@H](CO)c1ccccc1 ZINC000309528499 491150003 /nfs/dbraw/zinc/15/00/03/491150003.db2.gz BLNPIJHNOORYOM-OLZOCXBDSA-N 1 0 221.300 1.247 10 30 BDEERO CC#CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000155704030 360913430 /nfs/dbraw/zinc/91/34/30/360913430.db2.gz LZHNEUXAIMEYFK-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)COC ZINC000309621379 491153565 /nfs/dbraw/zinc/15/35/65/491153565.db2.gz FINMBABVYIIJAC-NSHDSACASA-N 1 0 228.336 1.036 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037165130 361710161 /nfs/dbraw/zinc/71/01/61/361710161.db2.gz YWELEYRONQWUBG-ZIAGYGMSSA-N 1 0 230.311 1.951 10 30 BDEERO [NH3+]CC#Cc1cc(F)ccc1Cn1cccn1 ZINC000049610056 181346008 /nfs/dbraw/zinc/34/60/08/181346008.db2.gz SUNOBEXMHMEKLW-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO [NH3+]CC#Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000049610797 181346226 /nfs/dbraw/zinc/34/62/26/181346226.db2.gz BYKSIEAVYGKAAS-HNNXBMFYSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1ccccc1N1CCCC1=O ZINC000037471389 181347388 /nfs/dbraw/zinc/34/73/88/181347388.db2.gz ZOAWOMXBEQTTMT-UHFFFAOYSA-N 1 0 214.268 1.124 10 30 BDEERO [NH3+]CC#Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000037551028 181346664 /nfs/dbraw/zinc/34/66/64/181346664.db2.gz APASXEWNTFOLDG-UHFFFAOYSA-N 1 0 240.262 1.842 10 30 BDEERO [NH3+]CC#Cc1ccccc1Cn1ccnc1 ZINC000049610069 181348672 /nfs/dbraw/zinc/34/86/72/181348672.db2.gz BJJKNRLIMZXHMZ-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO CCN(CC[NH3+])c1cc(C#N)c2ccccc2n1 ZINC000122816393 363838551 /nfs/dbraw/zinc/83/85/51/363838551.db2.gz HVOMBOPAEAZESB-UHFFFAOYSA-N 1 0 240.310 1.891 10 30 BDEERO N#Cc1cccc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000600958971 364364680 /nfs/dbraw/zinc/36/46/80/364364680.db2.gz NXUFOGBBZGLCOH-NSHDSACASA-N 1 0 230.315 1.661 10 30 BDEERO C[NH2+]CCOCCN(C)c1ccc(C#N)cc1 ZINC000600953930 364373636 /nfs/dbraw/zinc/37/36/36/364373636.db2.gz GUDXODHVZZURQT-UHFFFAOYSA-N 1 0 233.315 1.230 10 30 BDEERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)cc(C#N)n1 ZINC000600960928 364399377 /nfs/dbraw/zinc/39/93/77/364399377.db2.gz FVLXFOVWTINISD-ONGXEEELSA-N 1 0 230.315 1.293 10 30 BDEERO CC1CCC(C[NH+]2CCN(CC#N)CC2)CC1 ZINC000092936552 364688546 /nfs/dbraw/zinc/68/85/46/364688546.db2.gz ZRLJTCZTEPMMQK-UHFFFAOYSA-N 1 0 235.375 1.954 10 30 BDEERO CCN(CC[NH3+])c1c(C#N)nnc2ccccc21 ZINC000122853630 364669349 /nfs/dbraw/zinc/66/93/49/364669349.db2.gz VDCJPAZYKIJIPH-UHFFFAOYSA-N 1 0 241.298 1.286 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000068766799 370845624 /nfs/dbraw/zinc/84/56/24/370845624.db2.gz APAVVGJAUVUPNW-CYBMUJFWSA-N 1 0 230.315 1.089 10 30 BDEERO C#CC[C@H]([NH2+]C)[C@H]1SCCS[C@H]1C ZINC000252722819 367894524 /nfs/dbraw/zinc/89/45/24/367894524.db2.gz RUIATXBNOJZWMR-GUBZILKMSA-N 1 0 215.387 1.835 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1SCCS[C@H]1C ZINC000252724501 367896239 /nfs/dbraw/zinc/89/62/39/367896239.db2.gz XMLGBHVHIZCTMR-XHNCKOQMSA-N 1 0 201.360 1.445 10 30 BDEERO O=C(C[n+]1ccncc1)c1cccs1 ZINC000048523585 368377350 /nfs/dbraw/zinc/37/73/50/368377350.db2.gz JPTMYGZHEXQDJA-UHFFFAOYSA-N 1 0 205.262 1.314 10 30 BDEERO CCOC(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054828602 369100670 /nfs/dbraw/zinc/10/06/70/369100670.db2.gz VDNCFLFRVUCUPH-QWRGUYRKSA-N 1 0 224.304 1.612 10 30 BDEERO CCOC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828594 369101120 /nfs/dbraw/zinc/10/11/20/369101120.db2.gz VDNCFLFRVUCUPH-MNOVXSKESA-N 1 0 224.304 1.612 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(F)cc1C#N ZINC000600957827 369577281 /nfs/dbraw/zinc/57/72/81/369577281.db2.gz URRRNHHDSPMNDA-GZMMTYOYSA-N 1 0 219.263 1.860 10 30 BDEERO C[C@@H]1CC[C@H](Nc2ccc(C#N)nc2)C[NH2+]1 ZINC000600955061 369576447 /nfs/dbraw/zinc/57/64/47/369576447.db2.gz JJXSSDBCRPVPBG-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO N#Cc1ncccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958951 369576612 /nfs/dbraw/zinc/57/66/12/369576612.db2.gz NIHSVFIUWQQAIL-LLVKDONJSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000600864068 369569698 /nfs/dbraw/zinc/56/96/98/369569698.db2.gz WNABSQVDYQJFCV-JOYOIKCWSA-N 1 0 230.315 1.293 10 30 BDEERO Cc1cc(C#N)nc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000600958770 369575180 /nfs/dbraw/zinc/57/51/80/369575180.db2.gz KERUWAZLPANAMM-LLVKDONJSA-N 1 0 245.330 1.364 10 30 BDEERO C[C@@H]1CC[C@H](Nc2cnccc2C#N)C[NH2+]1 ZINC000600955414 369575450 /nfs/dbraw/zinc/57/54/50/369575450.db2.gz MCXVXTNFGPQJQX-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@@H]1CC[C@@H](Nc2ncccc2C#N)C[NH2+]1 ZINC000600956185 369578406 /nfs/dbraw/zinc/57/84/06/369578406.db2.gz XCXWNFZWXDVGAY-MWLCHTKSSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000600963116 369579202 /nfs/dbraw/zinc/57/92/02/369579202.db2.gz SDGLPCUSYFJIAO-WPRPVWTQSA-N 1 0 246.270 1.392 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000600961898 369582259 /nfs/dbraw/zinc/58/22/59/369582259.db2.gz WQEKHVRGWYLQIC-BXKDBHETSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000602589702 369818483 /nfs/dbraw/zinc/81/84/83/369818483.db2.gz BSZGCXIQUKVECV-ZWNOBZJWSA-N 1 0 243.310 1.225 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc(C#N)cc1F ZINC000063171480 370138179 /nfs/dbraw/zinc/13/81/79/370138179.db2.gz OWWHKMNYGJKHSR-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309558332 370229339 /nfs/dbraw/zinc/22/93/39/370229339.db2.gz INPGXZHSFXCTIJ-GRYCIOLGSA-N 1 0 221.304 1.323 10 30 BDEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nccnc1C#N ZINC000092631321 371106656 /nfs/dbraw/zinc/10/66/56/371106656.db2.gz ZZPUHSKFGPZTNZ-NSHDSACASA-N 1 0 245.330 1.269 10 30 BDEERO CC[C@H](C#N)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092630822 371107144 /nfs/dbraw/zinc/10/71/44/371107144.db2.gz KKYYAEPBHLMVDI-VXGBXAGGSA-N 1 0 237.347 1.479 10 30 BDEERO C[C@H]1CN(CC2(CC#N)CC2)C[C@@H]1[NH+](C)C ZINC000124134764 371152595 /nfs/dbraw/zinc/15/25/95/371152595.db2.gz SLZKOVOXQUNTLA-RYUDHWBXSA-N 1 0 221.348 1.562 10 30 BDEERO C[C@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131301768 371582667 /nfs/dbraw/zinc/58/26/67/371582667.db2.gz BTDGRGJRIZDCRJ-ZETCQYMHSA-N 1 0 220.232 1.226 10 30 BDEERO C[C@@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131301978 371582903 /nfs/dbraw/zinc/58/29/03/371582903.db2.gz BTDGRGJRIZDCRJ-SSDOTTSWSA-N 1 0 220.232 1.226 10 30 BDEERO CNC(=[NH+]N)c1cc(C)cc(Br)c1 ZINC000163593845 372017373 /nfs/dbraw/zinc/01/73/73/372017373.db2.gz DWJUJNHZKSPJPY-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C/C(N)=N/O)C1 ZINC000042422570 169313359 /nfs/dbraw/zinc/31/33/59/169313359.db2.gz GZRSKWKYBSXOSK-QWRGUYRKSA-N 1 0 243.351 1.402 10 30 BDEERO CCC[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000104015012 169342646 /nfs/dbraw/zinc/34/26/46/169342646.db2.gz PRVSFKBIBIAPSC-STQMWFEESA-N 1 0 249.358 1.623 10 30 BDEERO CCC[C@@H](C#N)C(=O)NCCCC[NH+](C)C ZINC000041680608 169343316 /nfs/dbraw/zinc/34/33/16/169343316.db2.gz FVNZCMCYYIKPBT-NSHDSACASA-N 1 0 225.336 1.384 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2cnccc2C#N)C1 ZINC000135606779 384195898 /nfs/dbraw/zinc/19/58/98/384195898.db2.gz XNOOSDAMQSWIBB-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO C[C@@H](CC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000336668189 384249175 /nfs/dbraw/zinc/24/91/75/384249175.db2.gz QXLYRYBPQIIEPD-ZETCQYMHSA-N 1 0 225.242 1.986 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335587177 384312182 /nfs/dbraw/zinc/31/21/82/384312182.db2.gz ZENDNFXCMYVHIT-GWCFXTLKSA-N 1 0 248.301 1.900 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1ccc(F)cc1C#N ZINC000335610037 384319802 /nfs/dbraw/zinc/31/98/02/384319802.db2.gz LZFHESMQDKZPSL-QMMMGPOBSA-N 1 0 207.252 1.481 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](CC#Cc2ccccc2)C1 ZINC000335590505 384354162 /nfs/dbraw/zinc/35/41/62/384354162.db2.gz PEKIIHVLFQVRGR-DZGCQCFKSA-N 1 0 229.323 1.741 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000070916257 384466200 /nfs/dbraw/zinc/46/62/00/384466200.db2.gz MHNXPCJAPOPFKB-NSHDSACASA-N 1 0 216.288 1.094 10 30 BDEERO N#Cc1cc(N2CCC(CC[NH3+])CC2)ccn1 ZINC000070188649 384470859 /nfs/dbraw/zinc/47/08/59/384470859.db2.gz VKLWDWVYMNNDQI-UHFFFAOYSA-N 1 0 230.315 1.518 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000127321759 384580114 /nfs/dbraw/zinc/58/01/14/384580114.db2.gz MBNSBQCUBXUCAN-ZWNOBZJWSA-N 1 0 216.284 1.825 10 30 BDEERO Cc1ccnc(N[C@@H](C)C[C@H](C)[NH3+])c1C#N ZINC000320489330 384719069 /nfs/dbraw/zinc/71/90/69/384719069.db2.gz HZOOVCDCDSYRAQ-UWVGGRQHSA-N 1 0 218.304 1.799 10 30 BDEERO CCC(C#N)(CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000094460763 384975054 /nfs/dbraw/zinc/97/50/54/384975054.db2.gz NFGRZLYDZJYIPL-LBPRGKRZSA-N 1 0 249.358 1.623 10 30 BDEERO Cc1ccnc(N2CCC[C@@H](C)[C@H]2C[NH3+])c1C#N ZINC000227397771 385138389 /nfs/dbraw/zinc/13/83/89/385138389.db2.gz WBWNSESANPOXQU-DGCLKSJQSA-N 1 0 244.342 1.825 10 30 BDEERO NC(=NO)[C@@H]1CCCC[N@@H+]1CCCCF ZINC000308785854 385102312 /nfs/dbraw/zinc/10/23/12/385102312.db2.gz FLWOQMLFWXZNPU-VIFPVBQESA-N 1 0 217.288 1.337 10 30 BDEERO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000246582179 385194728 /nfs/dbraw/zinc/19/47/28/385194728.db2.gz AUJQKTSSKDSPAS-JSGCOSHPSA-N 1 0 249.358 1.537 10 30 BDEERO C[C@H](CCC[NH3+])Nc1cccnc1C#N ZINC000308978004 385329052 /nfs/dbraw/zinc/32/90/52/385329052.db2.gz CRBTYBPOQKQBPG-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(C#N)n1 ZINC000308236530 385410612 /nfs/dbraw/zinc/41/06/12/385410612.db2.gz CTFQFNKBSYEIHQ-NEPJUHHUSA-N 1 0 242.326 1.592 10 30 BDEERO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc(C#N)n1 ZINC000308245137 385413101 /nfs/dbraw/zinc/41/31/01/385413101.db2.gz QRYNPJWZMIJMHG-QWRGUYRKSA-N 1 0 230.315 1.448 10 30 BDEERO Cc1cc(N2CCCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308246036 385413994 /nfs/dbraw/zinc/41/39/94/385413994.db2.gz VDFBGFYFAIQBKK-GFCCVEGCSA-N 1 0 230.315 1.579 10 30 BDEERO N#Cc1ccc([C@H]2C[C@H](O)CC[NH2+]2)cc1 ZINC000584598940 385468159 /nfs/dbraw/zinc/46/81/59/385468159.db2.gz BOUWSLUTJRWHDN-VXGBXAGGSA-N 1 0 202.257 1.344 10 30 BDEERO C#CCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000309533959 385671494 /nfs/dbraw/zinc/67/14/94/385671494.db2.gz DSFCGIQUTXAKDM-STQMWFEESA-N 1 0 217.316 1.980 10 30 BDEERO CNC(N[C@@H]1CC[C@H](C)SC1)=[NH+]C ZINC000575534159 385891872 /nfs/dbraw/zinc/89/18/72/385891872.db2.gz HQUIZWLMLFEHLI-JGVFFNPUSA-N 1 0 201.339 1.065 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000231942842 385901832 /nfs/dbraw/zinc/90/18/32/385901832.db2.gz PQEFOUXMXSONEG-SNVBAGLBSA-N 1 0 233.319 1.442 10 30 BDEERO C=C(Br)CO[C@@H]1CC[NH2+]C1 ZINC000051782654 385915582 /nfs/dbraw/zinc/91/55/82/385915582.db2.gz CFUHZDYGJJYFIC-SSDOTTSWSA-N 1 0 206.083 1.274 10 30 BDEERO N#Cc1cccc(COC[C@@H]2CCC[NH2+]2)c1 ZINC000051816347 385943006 /nfs/dbraw/zinc/94/30/06/385943006.db2.gz QZHOABVRZVUPGL-ZDUSSCGKSA-N 1 0 216.284 1.827 10 30 BDEERO C=C(Cl)CN1C[C@H](C)[NH2+]CC[C@H]1C ZINC000575541882 385953592 /nfs/dbraw/zinc/95/35/92/385953592.db2.gz LUEWRUSSQKUGII-VHSXEESVSA-N 1 0 202.729 1.811 10 30 BDEERO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253100354 533155579 /nfs/dbraw/zinc/15/55/79/533155579.db2.gz WIFNNHBCIIPOBH-YNEHKIRRSA-N 1 0 207.317 1.635 10 30 BDEERO CC[C@@H]([NH3+])CNc1c(C#N)nnc2ccccc21 ZINC000085920974 386202231 /nfs/dbraw/zinc/20/22/31/386202231.db2.gz ZTLPEFXSEDWANZ-SECBINFHSA-N 1 0 241.298 1.651 10 30 BDEERO Cc1cc(NC[C@]2(C)CCC[NH2+]C2)c(C#N)cn1 ZINC000399001983 386504443 /nfs/dbraw/zinc/50/44/43/386504443.db2.gz SYSPDZLWXVIESA-CQSZACIVSA-N 1 0 244.342 1.485 10 30 BDEERO C=C(Br)CN1C[C@@H]([NH3+])CC[C@@H]1C ZINC000575481796 387180080 /nfs/dbraw/zinc/18/00/80/387180080.db2.gz PTZWVDGVAREJNT-IUCAKERBSA-N 1 0 233.153 1.707 10 30 BDEERO C=CCC[C@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000321428111 387360269 /nfs/dbraw/zinc/36/02/69/387360269.db2.gz LHOYLTFHUFJHMH-MNOVXSKESA-N 1 0 215.337 1.310 10 30 BDEERO COc1c(Cl)cc(/C=N/O)cc1C[NH3+] ZINC000575602463 387370336 /nfs/dbraw/zinc/37/03/36/387370336.db2.gz PMNJIWQUJXNBDW-LFYBBSHMSA-N 1 0 214.652 1.615 10 30 BDEERO C[C@@H]1CSC(NCC2SCCS2)=[NH+]1 ZINC000575498163 387329179 /nfs/dbraw/zinc/32/91/79/387329179.db2.gz UEQODXJTOPXPGD-ZCFIWIBFSA-N 1 0 234.415 1.873 10 30 BDEERO CC(C)(CS)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306274699 387456719 /nfs/dbraw/zinc/45/67/19/387456719.db2.gz ATTFXYWCRMRXLF-SECBINFHSA-N 1 0 217.378 1.788 10 30 BDEERO CC[C@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000104204705 387485247 /nfs/dbraw/zinc/48/52/47/387485247.db2.gz YDSYYOVMRBIYAP-LBPRGKRZSA-N 1 0 244.342 1.981 10 30 BDEERO C#CCN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000105837824 387931494 /nfs/dbraw/zinc/93/14/94/387931494.db2.gz CDTWUDDOSGXEIV-CYBMUJFWSA-N 1 0 224.348 1.052 10 30 BDEERO Cc1nc(C[C@H]2CCC[N@H+](CCCC#N)C2)no1 ZINC000195517955 387922723 /nfs/dbraw/zinc/92/27/23/387922723.db2.gz GSROWIDYPPMSKB-GFCCVEGCSA-N 1 0 248.330 1.936 10 30 BDEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245983692 388000195 /nfs/dbraw/zinc/00/01/95/388000195.db2.gz DMWPOAJHYQVPJT-KBPBESRZSA-N 1 0 249.358 1.884 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C#N)CCC1 ZINC000083798487 388063956 /nfs/dbraw/zinc/06/39/56/388063956.db2.gz QGUDIUAXXCJCOD-VXGBXAGGSA-N 1 0 247.342 1.375 10 30 BDEERO N#Cc1ncccc1NCC12CC(C1)C[NH2+]2 ZINC000596026839 388400651 /nfs/dbraw/zinc/40/06/51/388400651.db2.gz NDDIHIYVMGLJKP-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)nc1 ZINC000122680382 388402738 /nfs/dbraw/zinc/40/27/38/388402738.db2.gz ODZJROPHDKNPDO-NSHDSACASA-N 1 0 204.277 1.348 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)nc1 ZINC000122678297 388402873 /nfs/dbraw/zinc/40/28/73/388402873.db2.gz GXXVLSXYYDKEDQ-LBPRGKRZSA-N 1 0 218.304 1.739 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000393824429 388444344 /nfs/dbraw/zinc/44/43/44/388444344.db2.gz BSBWQGURSZVTJI-GFCCVEGCSA-N 1 0 246.310 1.271 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](CCC(C)(C)C#N)C1 ZINC000335588202 388452037 /nfs/dbraw/zinc/45/20/37/388452037.db2.gz ILRKJZUNXQGMOI-QWRGUYRKSA-N 1 0 210.321 1.629 10 30 BDEERO N#Cc1c(F)cccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245198004 388413866 /nfs/dbraw/zinc/41/38/66/388413866.db2.gz PISBTPAQEMGJLZ-NSHDSACASA-N 1 0 245.301 1.982 10 30 BDEERO C[NH2+][C@H]1CCN(c2cc(C)nc(C#N)c2)C1 ZINC000308242941 388433672 /nfs/dbraw/zinc/43/36/72/388433672.db2.gz UKVGKBAWBGRWEU-JTQLQIEISA-N 1 0 216.288 1.060 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000112590366 388667911 /nfs/dbraw/zinc/66/79/11/388667911.db2.gz XHFLULKTHJIVDI-SNVBAGLBSA-N 1 0 233.290 1.838 10 30 BDEERO CC[C@@H]([NH3+])CNc1cc(C)nc(C#N)c1 ZINC000308239789 388658278 /nfs/dbraw/zinc/65/82/78/388658278.db2.gz LQMOBVXOMACJHJ-SECBINFHSA-N 1 0 204.277 1.411 10 30 BDEERO Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C#N)n1 ZINC000308246503 388658475 /nfs/dbraw/zinc/65/84/75/388658475.db2.gz XSYZNBIAKIJSQA-PWSUYJOCSA-N 1 0 244.342 1.683 10 30 BDEERO CC(=CCc1ccccc1)N=NC(N)=[NH2+] ZINC000254584021 388837185 /nfs/dbraw/zinc/83/71/85/388837185.db2.gz YLWFQUPOVYEUFJ-ZOGOLRRHSA-N 1 0 202.261 1.559 10 30 BDEERO CC#CC[C@H]([NH3+])c1c(Br)cnn1C ZINC000575485086 388869403 /nfs/dbraw/zinc/86/94/03/388869403.db2.gz YRBBURDOEXEUGG-QMMMGPOBSA-N 1 0 242.120 1.596 10 30 BDEERO C#C[C@H](C)NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000186049458 533291952 /nfs/dbraw/zinc/29/19/52/533291952.db2.gz JPZIUFHGHZBEJG-QWRGUYRKSA-N 1 0 225.336 1.038 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262083670 533510510 /nfs/dbraw/zinc/51/05/10/533510510.db2.gz FOZJKLMNFBQGGL-ZSBIGDGJSA-N 1 0 239.363 1.670 10 30 BDEERO C[C@H]1CCCN(c2ncccc2C#N)[C@@H]1C[NH3+] ZINC000070178562 132230475 /nfs/dbraw/zinc/23/04/75/132230475.db2.gz VWVISRVRJNHYIS-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CCCCN1c1ccc(C#N)cn1 ZINC000063197098 132389689 /nfs/dbraw/zinc/38/96/89/132389689.db2.gz HNVDLUIQKZIPKU-JQWIXIFHSA-N 1 0 230.315 1.659 10 30 BDEERO C[C@@H]1CCN(c2ccc(C#N)cn2)[C@@H](C[NH3+])C1 ZINC000235349506 132392332 /nfs/dbraw/zinc/39/23/32/132392332.db2.gz MBCCGICFERGWME-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1ccnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c1C#N ZINC000235385908 132395752 /nfs/dbraw/zinc/39/57/52/132395752.db2.gz WTLCBEUJFSHXRY-ZYHUDNBSSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@H]1CN(c2ccccc2C#N)CC[NH2+]1 ZINC000077297102 132443321 /nfs/dbraw/zinc/44/33/21/132443321.db2.gz KMWDGAYIJPWWAS-JTQLQIEISA-N 1 0 201.273 1.356 10 30 BDEERO N#CC1(C[N@@H+]2CCC[C@H]2Cn2ccnn2)CCC1 ZINC000333642502 134120162 /nfs/dbraw/zinc/12/01/62/134120162.db2.gz CIVVPMDSPAHSHL-LBPRGKRZSA-N 1 0 245.330 1.436 10 30 BDEERO C=CCOCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000304268973 134237272 /nfs/dbraw/zinc/23/72/72/134237272.db2.gz VJQAQRIRWONYFV-QWHCGFSZSA-N 1 0 224.348 1.358 10 30 BDEERO CNC(=[NH2+])N[C@@H](C)COCc1ccccc1 ZINC000179059028 134314736 /nfs/dbraw/zinc/31/47/36/134314736.db2.gz IEQMXSDWGXQIRR-JTQLQIEISA-N 1 0 221.304 1.126 10 30 BDEERO Cc1cncc(CN2CCCC[C@H]2/C(N)=N/O)c1 ZINC000227304161 134377662 /nfs/dbraw/zinc/37/76/62/134377662.db2.gz PVEUSFPTTCMTFN-LBPRGKRZSA-N 1 0 248.330 1.491 10 30 BDEERO N#CCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152389679 134500989 /nfs/dbraw/zinc/50/09/89/134500989.db2.gz JUEQIPWYLOCCSP-CYBMUJFWSA-N 1 0 231.299 1.838 10 30 BDEERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000336735732 134918754 /nfs/dbraw/zinc/91/87/54/134918754.db2.gz LYXBBXNCOQPCMC-VXGBXAGGSA-N 1 0 218.304 1.473 10 30 BDEERO C[C@H](CC#N)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251504008 135070345 /nfs/dbraw/zinc/07/03/45/135070345.db2.gz HWBGDSHMIIHJFQ-UPJWGTAASA-N 1 0 221.348 1.705 10 30 BDEERO Cc1c(CN[C@H]2CCC[C@H]2C#N)cnn1C ZINC000086552081 135089851 /nfs/dbraw/zinc/08/98/51/135089851.db2.gz SXKACGWAOVCKCW-JQWIXIFHSA-N 1 0 218.304 1.510 10 30 BDEERO CC1(C)CN(c2cnccc2C#N)CC[C@H]1[NH3+] ZINC000261563707 135205625 /nfs/dbraw/zinc/20/56/25/135205625.db2.gz XEMUGZLOCYHFDT-GFCCVEGCSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261572944 135214950 /nfs/dbraw/zinc/21/49/50/135214950.db2.gz MCJKPBRMXRBTDW-ZWNOBZJWSA-N 1 0 244.342 1.825 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261871104 135258666 /nfs/dbraw/zinc/25/86/66/135258666.db2.gz ZRXZWWGAKRLPLT-ZDCRXTMVSA-N 1 0 239.363 1.373 10 30 BDEERO CNC(N[C@@H](C)c1ccc(C)c(F)c1)=[NH+]C ZINC000261962863 135267194 /nfs/dbraw/zinc/26/71/94/135267194.db2.gz KQNXTLUTDHYPJO-VIFPVBQESA-N 1 0 223.295 1.990 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000261992639 135270608 /nfs/dbraw/zinc/27/06/08/135270608.db2.gz RRRSDJUVAJJSNM-DMDPSCGWSA-N 1 0 237.347 1.083 10 30 BDEERO C[C@@H]1CC(C[NH+]=C(N(C)C)N(C)C)C[C@@H](C)O1 ZINC000262065400 135276669 /nfs/dbraw/zinc/27/66/69/135276669.db2.gz CEVQRNAQOIBAQD-GHMZBOCLSA-N 1 0 241.379 1.669 10 30 BDEERO CC1=CCN(CCNC(=[NH2+])NCC(C)C)CC1 ZINC000262280425 135290048 /nfs/dbraw/zinc/29/00/48/135290048.db2.gz IXKCUIDECCWHSB-UHFFFAOYSA-N 1 0 238.379 1.199 10 30 BDEERO COC1CCC(C)(CNC(=[NH2+])NC2CC2)CC1 ZINC000262327842 135292931 /nfs/dbraw/zinc/29/29/31/135292931.db2.gz DUBOGCWNMWJAFB-UHFFFAOYSA-N 1 0 239.363 1.648 10 30 BDEERO C[NH+]=C(NCC(C)(C)SC)N[C@@H]1C[C@@H]1C ZINC000262426602 135296100 /nfs/dbraw/zinc/29/61/00/135296100.db2.gz BDBLTYPYTHIJNN-DTWKUNHWSA-N 1 0 229.393 1.701 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000262386478 135298453 /nfs/dbraw/zinc/29/84/53/135298453.db2.gz HUQIDVFVJBYDRJ-ZJUUUORDSA-N 1 0 227.377 1.539 10 30 BDEERO C[C@H](CNC(=[NH2+])NCC1CCC1)C(F)(F)F ZINC000262533263 135305008 /nfs/dbraw/zinc/30/50/08/135305008.db2.gz PZKIAENLRHFUDY-SSDOTTSWSA-N 1 0 237.269 1.889 10 30 BDEERO Cc1ccc(CNC2=[NH+]CCN2C)cc1F ZINC000262648860 135311478 /nfs/dbraw/zinc/31/14/78/135311478.db2.gz JYJSVCIYEVMBBF-UHFFFAOYSA-N 1 0 221.279 1.525 10 30 BDEERO CN1CC[NH+]=C1N[C@H]1C[C@@H]1C1CCCCC1 ZINC000262678554 135313322 /nfs/dbraw/zinc/31/33/22/135313322.db2.gz UXNAWTAOHMSBJR-NEPJUHHUSA-N 1 0 221.348 1.846 10 30 BDEERO C[C@@H]1CC(CNC2=[NH+]CCN2C)C[C@@H](C)O1 ZINC000262684670 135313885 /nfs/dbraw/zinc/31/38/85/135313885.db2.gz XYUVFMMTBLZARZ-NXEZZACHSA-N 1 0 225.336 1.081 10 30 BDEERO CC1=CCN(CCNC(=[NH2+])NC2CCC2)CC1 ZINC000263050406 135329361 /nfs/dbraw/zinc/32/93/61/135329361.db2.gz DKBYGZNCMJNJCQ-UHFFFAOYSA-N 1 0 236.363 1.095 10 30 BDEERO C[NH+]=C(NCc1nc(C)no1)N[C@H](C)C(C)C ZINC000263233044 135341249 /nfs/dbraw/zinc/34/12/49/135341249.db2.gz ISBVUHKQAUBHIS-MRVPVSSYSA-N 1 0 239.323 1.088 10 30 BDEERO CSCCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000164516087 135387302 /nfs/dbraw/zinc/38/73/02/135387302.db2.gz VNIMVURYZRTVHI-SECBINFHSA-N 1 0 231.365 1.340 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1cnc(C#N)cn1 ZINC000309422183 135437198 /nfs/dbraw/zinc/43/71/98/135437198.db2.gz HXSISPZQMDVRMA-SECBINFHSA-N 1 0 219.292 1.278 10 30 BDEERO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000407988025 397801774 /nfs/dbraw/zinc/80/17/74/397801774.db2.gz BNYNITOWXIHFJT-HBNTYKKESA-N 1 0 223.320 1.135 10 30 BDEERO N#Cc1cnccc1N[C@@H]1CCC[NH2+]C1 ZINC000260322621 398079343 /nfs/dbraw/zinc/07/93/43/398079343.db2.gz UROWKLAOZFEJFQ-SNVBAGLBSA-N 1 0 202.261 1.117 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCc2cccc(O)c21 ZINC000013492319 166159979 /nfs/dbraw/zinc/15/99/79/166159979.db2.gz BTTBIZBMYHKJTB-NSHDSACASA-N 1 0 201.269 1.945 10 30 BDEERO C#CC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000037872144 166187748 /nfs/dbraw/zinc/18/77/48/166187748.db2.gz VATCMPNDPQZXHQ-SNVBAGLBSA-N 1 0 211.211 1.221 10 30 BDEERO C#CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000019875531 166191375 /nfs/dbraw/zinc/19/13/75/166191375.db2.gz IBYXTVVIJQYYNS-NSHDSACASA-N 1 0 231.295 1.959 10 30 BDEERO C#CCSCC[NH2+]Cc1cn2ccccc2n1 ZINC000174421256 166202999 /nfs/dbraw/zinc/20/29/99/166202999.db2.gz BGPGHOPWSSRPHM-UHFFFAOYSA-N 1 0 245.351 1.790 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H]2CSCN2)c1 ZINC000019437068 166222570 /nfs/dbraw/zinc/22/25/70/166222570.db2.gz ZYAHOEZHZIZWAR-LLVKDONJSA-N 1 0 232.308 1.269 10 30 BDEERO C=CCNC(=O)[C@@H]([NH3+])CCc1ccccc1 ZINC000083349449 166385316 /nfs/dbraw/zinc/38/53/16/166385316.db2.gz NWAWCCYZOJKJDH-LBPRGKRZSA-N 1 0 218.300 1.249 10 30 BDEERO C=CC[NH2+]CC[C@H](O)c1ccc2c(c1)OCO2 ZINC000049827219 166398463 /nfs/dbraw/zinc/39/84/63/166398463.db2.gz HPEBDAHDARHLBV-NSHDSACASA-N 1 0 235.283 1.614 10 30 BDEERO C=CC[NH2+]CCC(=O)c1cccc(N)c1 ZINC000098123859 166398979 /nfs/dbraw/zinc/39/89/79/166398979.db2.gz YJJRQPMZWUTJSZ-UHFFFAOYSA-N 1 0 204.273 1.617 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000095081683 166399902 /nfs/dbraw/zinc/39/99/02/166399902.db2.gz XOMCECQKIPHEGK-UHFFFAOYSA-N 1 0 249.270 1.617 10 30 BDEERO C=CCNc1nnc(SCC[NH3+])s1 ZINC000057497939 166409775 /nfs/dbraw/zinc/40/97/75/166409775.db2.gz KXFXNXUMPYZVCE-UHFFFAOYSA-N 1 0 216.335 1.187 10 30 BDEERO C=C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000309506388 411156328 /nfs/dbraw/zinc/15/63/28/411156328.db2.gz NGLVCQAUSJCRND-MNOVXSKESA-N 1 0 210.321 1.457 10 30 BDEERO CC1(C(=O)N[C@H]2CCC[C@H]2C#N)CC[NH2+]CC1 ZINC000062841574 167872728 /nfs/dbraw/zinc/87/27/28/167872728.db2.gz YXIJDJYRJPTFSV-QWRGUYRKSA-N 1 0 235.331 1.185 10 30 BDEERO CC1(C)CC(OC[C@H]2CO2)CC(C)(C)[NH2+]1 ZINC000034263450 167889961 /nfs/dbraw/zinc/88/99/61/167889961.db2.gz STPRYPLHPUMXIF-JTQLQIEISA-N 1 0 213.321 1.711 10 30 BDEERO CC1CCC(C#N)(NCC[NH+](C)C)CC1 ZINC000020178000 168149780 /nfs/dbraw/zinc/14/97/80/168149780.db2.gz VVARHWSEQHFCCQ-UHFFFAOYSA-N 1 0 209.337 1.610 10 30 BDEERO CCC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000035248220 168248234 /nfs/dbraw/zinc/24/82/34/168248234.db2.gz LSJONRBYVQRNHZ-UHFFFAOYSA-N 1 0 235.312 1.614 10 30 BDEERO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000659330711 411395951 /nfs/dbraw/zinc/39/59/51/411395951.db2.gz ZOQREKRJKBXNAO-RWMBFGLXSA-N 1 0 236.359 1.847 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659358300 411402270 /nfs/dbraw/zinc/40/22/70/411402270.db2.gz GXKCXFFWZUIQMY-NEPJUHHUSA-N 1 0 240.347 1.070 10 30 BDEERO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037820995 169878701 /nfs/dbraw/zinc/87/87/01/169878701.db2.gz NQHRHUFRPLDSTB-WDEREUQCSA-N 1 0 223.320 1.137 10 30 BDEERO CC[NH2+]CCC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980435 170112120 /nfs/dbraw/zinc/11/21/20/170112120.db2.gz MTCTWNRTEQEJPO-UHFFFAOYSA-N 1 0 231.299 1.521 10 30 BDEERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000061227986 170119365 /nfs/dbraw/zinc/11/93/65/170119365.db2.gz AMJZKGYDYWPFCY-SNVBAGLBSA-N 1 0 231.299 1.742 10 30 BDEERO CC[C@H](C#N)N1CC[NH+](C(C)(C)C)CC1 ZINC000043556541 171219284 /nfs/dbraw/zinc/21/92/84/171219284.db2.gz VYINDEOTYZMYPB-LLVKDONJSA-N 1 0 209.337 1.705 10 30 BDEERO CC[C@H](C)C[NH+]1CCN(C(C)(C)C#N)CC1 ZINC000070995965 171281327 /nfs/dbraw/zinc/28/13/27/171281327.db2.gz UGQDDZOCMUNGHR-LBPRGKRZSA-N 1 0 223.364 1.952 10 30 BDEERO C=CCN(C(=O)[C@H]([NH3+])CCC)[C@H](C)COC ZINC000662855966 412325489 /nfs/dbraw/zinc/32/54/89/412325489.db2.gz XKXYDEDXKGCSMI-GHMZBOCLSA-N 1 0 228.336 1.163 10 30 BDEERO Cc1cc(C#N)cc(NCC2([NH3+])CCOCC2)n1 ZINC000600952075 412302262 /nfs/dbraw/zinc/30/22/62/412302262.db2.gz LOWIFHDXIGSTDQ-UHFFFAOYSA-N 1 0 246.314 1.182 10 30 BDEERO CN(C(=O)C(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000061980487 172295392 /nfs/dbraw/zinc/29/53/92/172295392.db2.gz SEDRLXFUDCJHQW-UHFFFAOYSA-N 1 0 217.272 1.258 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2ncccc2C#N)C1 ZINC000070916245 172528456 /nfs/dbraw/zinc/52/84/56/172528456.db2.gz VSJAXVCJHRIIPK-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO CN(C[C@H]1CCCC[NH2+]1)c1cc(C#N)ccn1 ZINC000095070799 172827705 /nfs/dbraw/zinc/82/77/05/172827705.db2.gz XJIGAPCNHBFFBC-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO CN(Cc1cccnc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000104361542 172885380 /nfs/dbraw/zinc/88/53/80/172885380.db2.gz LPQDQJRVQHIPPX-GFCCVEGCSA-N 1 0 230.315 1.137 10 30 BDEERO CN1CC[C@@H]([NH2+]Cc2ccccc2OCC#N)C1 ZINC000042545619 173123718 /nfs/dbraw/zinc/12/37/18/173123718.db2.gz KDZUVTIAYTVLSN-CYBMUJFWSA-N 1 0 245.326 1.383 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000060941527 173126525 /nfs/dbraw/zinc/12/65/25/173126525.db2.gz OFQCQKPFAOLLHJ-SECBINFHSA-N 1 0 219.263 1.813 10 30 BDEERO CN(Cc1cccc(C#N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071189110 173143674 /nfs/dbraw/zinc/14/36/74/173143674.db2.gz IQHUDPHOLXHXMN-HNNXBMFYSA-N 1 0 243.354 1.942 10 30 BDEERO C[NH2+]CCOc1ccc(C#N)cc1Cl ZINC000062791635 173357826 /nfs/dbraw/zinc/35/78/26/173357826.db2.gz MDTOEFAXVBJHLW-UHFFFAOYSA-N 1 0 210.664 1.810 10 30 BDEERO C[NH2+]C[C@@H](C)Oc1nc(C)cc(C)c1C#N ZINC000051867153 173365223 /nfs/dbraw/zinc/36/52/23/173365223.db2.gz KVMOTNSVJOXSDV-SNVBAGLBSA-N 1 0 219.288 1.557 10 30 BDEERO C[NH2+]C[C@H]1CCN(c2cccc(C#N)c2)C1 ZINC000077307525 173381285 /nfs/dbraw/zinc/38/12/85/173381285.db2.gz QRCJXYDBDUQGNP-GFCCVEGCSA-N 1 0 215.300 1.604 10 30 BDEERO C[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000050615342 173397461 /nfs/dbraw/zinc/39/74/61/173397461.db2.gz JBJAKFZNBPFBTQ-UHFFFAOYSA-N 1 0 214.228 1.328 10 30 BDEERO COCCC[N@H+](CCOC)[C@@H]1CCC[C@@H]1C#N ZINC000042422175 174225507 /nfs/dbraw/zinc/22/55/07/174225507.db2.gz OGNLHSITLQZSDE-CHWSQXEVSA-N 1 0 240.347 1.664 10 30 BDEERO COCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083351803 174248110 /nfs/dbraw/zinc/24/81/10/174248110.db2.gz CHAZIOCIHUBNHY-UHFFFAOYSA-N 1 0 222.263 1.823 10 30 BDEERO COCC[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049614806 174280274 /nfs/dbraw/zinc/28/02/74/174280274.db2.gz SRVSAFJJQVGIGL-UHFFFAOYSA-N 1 0 233.311 1.109 10 30 BDEERO COc1cccc([C@H](C[NH3+])N(C)C[C@@H](C)C#N)c1 ZINC000043028250 175294200 /nfs/dbraw/zinc/29/42/00/175294200.db2.gz PWXOLOBBEKANAN-FZMZJTMJSA-N 1 0 247.342 1.786 10 30 BDEERO C[C@@H]([NH3+])c1ccc(N(CC#N)CC#N)cc1 ZINC000019872241 175817422 /nfs/dbraw/zinc/81/74/22/175817422.db2.gz DCQRIBUFXZSKND-SNVBAGLBSA-N 1 0 214.272 1.560 10 30 BDEERO C[C@@H](S)[C@@H]1[NH2+]CCc2cccc(O)c21 ZINC000083660563 176007120 /nfs/dbraw/zinc/00/71/20/176007120.db2.gz FPASJYBOJPXPLI-HQJQHLMTSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CC[N@H+](Cc2ccccc2C#CCO)C1 ZINC000049613607 176175961 /nfs/dbraw/zinc/17/59/61/176175961.db2.gz HTAWLFAZDQDMTE-CYBMUJFWSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1 ZINC000335658600 177175796 /nfs/dbraw/zinc/17/57/96/177175796.db2.gz UVUQOPNCOREGAB-GXFFZTMASA-N 1 0 215.300 1.968 10 30 BDEERO C[C@H]1COCCN1Cc1ccccc1C#CC[NH3+] ZINC000049609128 177292951 /nfs/dbraw/zinc/29/29/51/177292951.db2.gz RVDJSXNVSWCFCH-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000308246504 229422902 /nfs/dbraw/zinc/42/29/02/229422902.db2.gz XSYZNBIAKIJSQA-ZYHUDNBSSA-N 1 0 244.342 1.683 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@H](C)C[NH3+])n1 ZINC000082576319 269911395 /nfs/dbraw/zinc/91/13/95/269911395.db2.gz XRJHOEITNUHLOV-SECBINFHSA-N 1 0 204.277 1.329 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000394459423 267168580 /nfs/dbraw/zinc/16/85/80/267168580.db2.gz KOZRLVCKPJBUBB-IUCAKERBSA-N 1 0 230.315 1.590 10 30 BDEERO CC#CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245673442 323007310 /nfs/dbraw/zinc/00/73/10/323007310.db2.gz IOABJSKRQXDPKG-NEPJUHHUSA-N 1 0 237.347 1.038 10 30 BDEERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C#N)n1 ZINC000308245554 323160379 /nfs/dbraw/zinc/16/03/79/323160379.db2.gz RTKWMAPVDSITBE-SMDDNHRTSA-N 1 0 242.326 1.450 10 30 BDEERO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000321428118 323616197 /nfs/dbraw/zinc/61/61/97/323616197.db2.gz LHOYLTFHUFJHMH-WDEREUQCSA-N 1 0 215.337 1.310 10 30 BDEERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(C#N)cc1 ZINC000091538533 325687736 /nfs/dbraw/zinc/68/77/36/325687736.db2.gz PHVUYWUILDDPOM-JKDOVBDQSA-N 1 0 230.311 1.980 10 30 BDEERO C=CCCCCC[NH2+]CC1(O)CCOCC1 ZINC000236487081 488063639 /nfs/dbraw/zinc/06/36/39/488063639.db2.gz APHBMGZIMWHFEV-UHFFFAOYSA-N 1 0 227.348 1.864 10 30 BDEERO N#Cc1ccncc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252505489 490275044 /nfs/dbraw/zinc/27/50/44/490275044.db2.gz UFRIAMJEJBVMBW-ZDUSSCGKSA-N 1 0 242.326 1.628 10 30 BDEERO C=CCCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261922504 534654414 /nfs/dbraw/zinc/65/44/14/534654414.db2.gz VDUGYKQLNFDJND-NSHDSACASA-N 1 0 224.348 1.929 10 30 BDEERO C=CCN(CC=C)C(=O)[C@@H](CCC)[NH+](C)C ZINC000179992733 534824634 /nfs/dbraw/zinc/82/46/34/534824634.db2.gz ABSSATSBKLFQJI-GFCCVEGCSA-N 1 0 224.348 1.917 10 30 BDEERO C[C@@H](Oc1ccccc1C=NO)C1=[NH+]CCN1 ZINC000242538739 525957271 /nfs/dbraw/zinc/95/72/71/525957271.db2.gz JDVBCCBWSXJBJH-SECBINFHSA-N 1 0 233.271 1.264 10 30 BDEERO C#C[C@@H]([NH2+]C[C@H](O)COCCCC)C(C)C ZINC000300905898 527291103 /nfs/dbraw/zinc/29/11/03/527291103.db2.gz LKJZHEAEUVLUCT-QWHCGFSZSA-N 1 0 227.348 1.411 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC1(C)C ZINC000262566671 535262901 /nfs/dbraw/zinc/26/29/01/535262901.db2.gz LTLVAJRZRFYZME-WDEREUQCSA-N 1 0 239.363 1.519 10 30 BDEERO CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000119929255 536305583 /nfs/dbraw/zinc/30/55/83/536305583.db2.gz OYHAPYKLVZOAHM-MUWHJKNJSA-N 1 0 241.697 1.869 10 30 BDEERO C[NH2+][C@H]1CCCN(c2ccccc2C#N)C1 ZINC000053204711 536415335 /nfs/dbraw/zinc/41/53/35/536415335.db2.gz HWFWVEKLNJDBTG-LBPRGKRZSA-N 1 0 215.300 1.746 10 30 BDEERO C=CCCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000393742267 582922059 /nfs/dbraw/zinc/92/20/59/582922059.db2.gz CQDWGUKVEWVXMM-AAEUAGOBSA-N 1 0 224.348 1.799 10 30 BDEERO Cc1cc(C#N)cc(N(C)C[C@@H](C)[NH3+])n1 ZINC000308811695 631665342 /nfs/dbraw/zinc/66/53/42/631665342.db2.gz CPJNRFAXOGKTGO-MRVPVSSYSA-N 1 0 204.277 1.045 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1cc(C#N)cc(C)n1 ZINC000161733053 632395918 /nfs/dbraw/zinc/39/59/18/632395918.db2.gz KXAJNRQRLMXSRX-CYBMUJFWSA-N 1 0 244.342 1.840 10 30 BDEERO N#Cc1sc(N2CCC[NH2+]CC2)nc1Cl ZINC000236072440 632873154 /nfs/dbraw/zinc/87/31/54/632873154.db2.gz NBXZTUZYDKCZDI-UHFFFAOYSA-N 1 0 242.735 1.468 10 30 BDEERO N#Cc1sc(NC[C@H]([NH3+])C2CC2)nc1Cl ZINC000236297020 632915980 /nfs/dbraw/zinc/91/59/80/632915980.db2.gz GRNMOXMOCNOSKJ-LURJTMIESA-N 1 0 242.735 1.817 10 30 BDEERO Cc1cc(C[NH2+][C@@H](C)[C@H](C)O)ccc1C#N ZINC000309977877 634013035 /nfs/dbraw/zinc/01/30/35/634013035.db2.gz UPHFHFKTBNPXLD-QWRGUYRKSA-N 1 0 218.300 1.726 10 30 BDEERO C=C(C)CC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000228800117 640896242 /nfs/dbraw/zinc/89/62/42/640896242.db2.gz UUIZQQGFBTZKIC-WDEREUQCSA-N 1 0 211.305 1.694 10 30 BDEERO CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071311786 643123113 /nfs/dbraw/zinc/12/31/13/643123113.db2.gz HODDKFDQPPPFEA-LLVKDONJSA-N 1 0 246.270 1.265 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C#N)c1 ZINC000094460857 644719144 /nfs/dbraw/zinc/71/91/44/644719144.db2.gz YDZCABLZFIKAMF-BXUZGUMPSA-N 1 0 242.326 1.626 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C#N)c1 ZINC000251923575 644831013 /nfs/dbraw/zinc/83/10/13/644831013.db2.gz YDZCABLZFIKAMF-FZMZJTMJSA-N 1 0 242.326 1.626 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CC1 ZINC000715028425 712504761 /nfs/dbraw/zinc/50/47/61/712504761.db2.gz ZPOLXYOKWZDXCV-PWSUYJOCSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1nc(N2CC[C@H](CC[NH3+])C2)ccc1C#N ZINC000723670107 711533380 /nfs/dbraw/zinc/53/33/80/711533380.db2.gz PGQKULLIWLJGEK-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CC[C@H](CC[NH3+])C2)n1 ZINC000723673080 711533475 /nfs/dbraw/zinc/53/34/75/711533475.db2.gz WBHGYXHEZXXEIT-LBPRGKRZSA-N 1 0 244.342 1.745 10 30 BDEERO Cc1cc(NCC2CC([NH3+])C2)cc(C#N)n1 ZINC000715114473 711536743 /nfs/dbraw/zinc/53/67/43/711536743.db2.gz TVLJNVKBJYRUHL-UHFFFAOYSA-N 1 0 216.288 1.411 10 30 BDEERO Cc1ccnc(N2C[C@@H](C)[C@H](CC[NH3+])C2)c1C#N ZINC000723901466 711544890 /nfs/dbraw/zinc/54/48/90/711544890.db2.gz PJEUGWXHVQEIIJ-VXGBXAGGSA-N 1 0 244.342 1.683 10 30 BDEERO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000310808838 711678235 /nfs/dbraw/zinc/67/82/35/711678235.db2.gz BAHGSSFXVVVAQT-YPMHNXCESA-N 1 0 248.330 1.486 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)c(C#N)s1 ZINC000702669066 712059243 /nfs/dbraw/zinc/05/92/43/712059243.db2.gz HZEIYBNINYBZNS-PHDIDXHHSA-N 1 0 242.735 1.594 10 30 BDEERO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H]1CO ZINC000708685636 712196991 /nfs/dbraw/zinc/19/69/91/712196991.db2.gz DEVSWXPSBNOBEI-MNOVXSKESA-N 1 0 208.305 1.240 10 30 BDEERO C=C(Cl)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708940022 712203447 /nfs/dbraw/zinc/20/34/47/712203447.db2.gz PYYWQTAJZHCCFT-VHSXEESVSA-N 1 0 218.728 1.177 10 30 BDEERO Cc1cc(C#N)cc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715067418 712505717 /nfs/dbraw/zinc/50/57/17/712505717.db2.gz QPJINNAJECGRSI-XYPYZODXSA-N 1 0 216.288 1.411 10 30 BDEERO C[NH2+]CCN(c1ccnc(C#N)c1)C(C)C ZINC000720790433 712866025 /nfs/dbraw/zinc/86/60/25/712866025.db2.gz GQDYUDOEKVNROQ-UHFFFAOYSA-N 1 0 218.304 1.387 10 30 BDEERO Cc1nnc(N2C[C@@H]([NH3+])C(C)(C)C2)c(C#N)c1C ZINC000720823337 712867733 /nfs/dbraw/zinc/86/77/33/712867733.db2.gz BXSGEOZOJJFCKT-LLVKDONJSA-N 1 0 245.330 1.139 10 30 BDEERO Cc1ccnc(NCC[C@@H]2C[NH2+]C[C@H]2C)c1C#N ZINC000721098640 712890927 /nfs/dbraw/zinc/89/09/27/712890927.db2.gz VFGJOMOERIUDIY-VXGBXAGGSA-N 1 0 244.342 1.919 10 30 BDEERO Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)c(C#N)cn1 ZINC000721120773 712892030 /nfs/dbraw/zinc/89/20/30/712892030.db2.gz JLULFLVCWHSKTR-ZYHUDNBSSA-N 1 0 244.342 1.341 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1[C@@H]2CC[NH2+]C[C@H]12 ZINC000685954472 538899252 /nfs/dbraw/zinc/89/92/52/538899252.db2.gz XRMWMGHTDRSVRW-OUAUKWLOSA-N 1 0 221.300 1.187 10 30 BDEERO C#CCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962067 538909357 /nfs/dbraw/zinc/90/93/57/538909357.db2.gz SRTZXLHVNFGKPM-BXUZGUMPSA-N 1 0 231.295 1.511 10 30 BDEERO CC[C@H]1CC[C@@H](C#CC(=O)OC(C)(C)C)[NH2+]1 ZINC000685952795 538896629 /nfs/dbraw/zinc/89/66/29/538896629.db2.gz DCITZMFTIGPWQH-QWRGUYRKSA-N 1 0 223.316 1.862 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1CCC(C)(C)[NH2+]1 ZINC000685952633 538896643 /nfs/dbraw/zinc/89/66/43/538896643.db2.gz BNNJRSSTZWMKNI-SNVBAGLBSA-N 1 0 223.316 1.862 10 30 BDEERO C[NH+]1CCC(C#CC(=O)OC(C)(C)C)CC1 ZINC000685954375 538897210 /nfs/dbraw/zinc/89/72/10/538897210.db2.gz VVXJDRIXLIFJCF-UHFFFAOYSA-N 1 0 223.316 1.673 10 30 BDEERO CCC(CC)=NOC[C@H](O)C[NH2+]C(C)C ZINC000029342399 168332134 /nfs/dbraw/zinc/33/21/34/168332134.db2.gz LXBQQIRFTWJLCZ-LLVKDONJSA-N 1 0 216.325 1.538 10 30 BDEERO N#Cc1cccc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382478170 398173586 /nfs/dbraw/zinc/17/35/86/398173586.db2.gz UTTAKWOGSALCFT-UWVGGRQHSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1cc(NC(=O)C(C)C)ccc1C#CC[NH3+] ZINC000037551438 178125776 /nfs/dbraw/zinc/12/57/76/178125776.db2.gz BDTDLCCGVQFMKX-UHFFFAOYSA-N 1 0 230.311 1.900 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000310323447 136220605 /nfs/dbraw/zinc/22/06/05/136220605.db2.gz ZMWOHVNIKOYKLY-SMDDNHRTSA-N 1 0 233.359 1.895 10 30 BDEERO CN(c1ccc(F)cc1C#N)C1CC([NH3+])C1 ZINC000335659886 398221690 /nfs/dbraw/zinc/22/16/90/398221690.db2.gz NNDRKSAYMHAZRZ-UHFFFAOYSA-N 1 0 219.263 1.623 10 30 BDEERO Cc1ccc(C#N)c(OC[C@@H]2CCC[NH2+]2)n1 ZINC000051866562 178365563 /nfs/dbraw/zinc/36/55/63/178365563.db2.gz ICGJEUKXTMCJAY-NSHDSACASA-N 1 0 217.272 1.393 10 30 BDEERO Cc1ccc(C#N)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051888765 178365639 /nfs/dbraw/zinc/36/56/39/178365639.db2.gz PBOVRMDOEWVJIG-LLVKDONJSA-N 1 0 216.284 1.855 10 30 BDEERO CCC(CC)[N@H+](CCO)[C@H](CC)C/C(N)=N/O ZINC000042507586 168373629 /nfs/dbraw/zinc/37/36/29/168373629.db2.gz FBECRLDVOFJDOP-LLVKDONJSA-N 1 0 245.367 1.384 10 30 BDEERO CC#CC[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000381550120 539003547 /nfs/dbraw/zinc/00/35/47/539003547.db2.gz MIGGJEQLTKPKQL-ZDUSSCGKSA-N 1 0 219.284 1.342 10 30 BDEERO Cc1nc(N(C)CCC[NH3+])ccc1C#N ZINC000308851634 259340407 /nfs/dbraw/zinc/34/04/07/259340407.db2.gz RKBACFFDUQSEKY-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO COC(=O)c1ccc(C#CC[NH+]2CCCC2)cc1 ZINC000203785184 343122026 /nfs/dbraw/zinc/12/20/26/343122026.db2.gz NDMJEGZCQVMXAY-UHFFFAOYSA-N 1 0 243.306 1.921 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCC1 ZINC000083798233 343672248 /nfs/dbraw/zinc/67/22/48/343672248.db2.gz UQPVCCLVRGRWEG-NSHDSACASA-N 1 0 235.331 1.090 10 30 BDEERO CC(C)OCc1sccc1C#CC[NH3+] ZINC000043685043 343700597 /nfs/dbraw/zinc/70/05/97/343700597.db2.gz YSMAVWMKDFIIGY-UHFFFAOYSA-N 1 0 209.314 1.983 10 30 BDEERO C=C(C)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000187898381 259370235 /nfs/dbraw/zinc/37/02/35/259370235.db2.gz FUMHQLFKTJBQJV-RYUDHWBXSA-N 1 0 239.363 1.590 10 30 BDEERO CC(C)(C=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051178425 346975396 /nfs/dbraw/zinc/97/53/96/346975396.db2.gz DDFDBWSKBIQVEQ-WDEREUQCSA-N 1 0 211.305 1.465 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH2+]C)C1 ZINC000150194721 349876821 /nfs/dbraw/zinc/87/68/21/349876821.db2.gz JQNCEBVGXQRFMM-QMMMGPOBSA-N 1 0 219.126 1.189 10 30 BDEERO C#CCn1nc(-c2ccncc2)cc1CC[NH3+] ZINC000409443407 343867158 /nfs/dbraw/zinc/86/71/58/343867158.db2.gz MJNHRJGQCAPAQF-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO NC(=[NH2+])Nc1nccc2c(Cl)cccc21 ZINC000096834469 343906107 /nfs/dbraw/zinc/90/61/07/343906107.db2.gz GTHFAVSHKWPOSY-UHFFFAOYSA-N 1 0 220.663 1.793 10 30 BDEERO C#CC[C@@H]([NH3+])c1ccncc1Br ZINC000307330729 343930733 /nfs/dbraw/zinc/93/07/33/343930733.db2.gz OAAOQEDFLKPWSJ-SECBINFHSA-N 1 0 225.089 1.867 10 30 BDEERO C=CC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755587 344216027 /nfs/dbraw/zinc/21/60/27/344216027.db2.gz CFWJGEIKPMAEOV-MDZLAQPJSA-N 1 0 222.332 1.457 10 30 BDEERO C=CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000130705817 344224693 /nfs/dbraw/zinc/22/46/93/344224693.db2.gz QECZYXAYCRIZJF-NXEZZACHSA-N 1 0 217.334 1.118 10 30 BDEERO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)C[C@H](C)O1 ZINC000072592173 344230211 /nfs/dbraw/zinc/23/02/11/344230211.db2.gz BVQBWEYIAKNSIN-TXEJJXNPSA-N 1 0 247.342 1.611 10 30 BDEERO C#CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128514538 344206514 /nfs/dbraw/zinc/20/65/14/344206514.db2.gz VTAPDFPNLAXOEU-VXGBXAGGSA-N 1 0 203.289 1.590 10 30 BDEERO CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054825927 344472235 /nfs/dbraw/zinc/47/22/35/344472235.db2.gz ITEZJYUESPPUTH-WDEREUQCSA-N 1 0 244.360 1.093 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000381354919 344496576 /nfs/dbraw/zinc/49/65/76/344496576.db2.gz IUQZYYDIMBZFTK-BQBZGAKWSA-N 1 0 235.247 1.009 10 30 BDEERO C#CC[NH2+]C[C@H](C)C(=O)OCc1ccccc1 ZINC000235119732 344801953 /nfs/dbraw/zinc/80/19/53/344801953.db2.gz WUFFREZORYYRLL-LBPRGKRZSA-N 1 0 231.295 1.589 10 30 BDEERO CO[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)C1CC1 ZINC000356345863 345037091 /nfs/dbraw/zinc/03/70/91/345037091.db2.gz DFZGXCDIWBRSEO-SDDRHHMPSA-N 1 0 208.305 1.693 10 30 BDEERO N#Cc1nccc(C[NH3+])c1OC(F)(F)F ZINC000238689472 345112863 /nfs/dbraw/zinc/11/28/63/345112863.db2.gz XYIAFCXWNNZIPB-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO C[C@@H]1CCC[N@H+](Cc2nn(C)cc2CC#N)C1 ZINC000675054282 537894169 /nfs/dbraw/zinc/89/41/69/537894169.db2.gz PLNXEAZCQDVCIZ-LLVKDONJSA-N 1 0 232.331 1.718 10 30 BDEERO C[C@H]([NH3+])C#Cc1occc1Br ZINC000166996563 346180632 /nfs/dbraw/zinc/18/06/32/346180632.db2.gz OCYBSILCNGNXLM-LURJTMIESA-N 1 0 214.062 1.741 10 30 BDEERO C=CCOc1nc[nH+]c(NN)c1Br ZINC000236272920 346217177 /nfs/dbraw/zinc/21/71/77/346217177.db2.gz IREGLLMZUGCNSH-UHFFFAOYSA-N 1 0 245.080 1.090 10 30 BDEERO C#C[C@H]([NH3+])c1ccoc1Br ZINC000236290594 346220955 /nfs/dbraw/zinc/22/09/55/346220955.db2.gz HTIWDDWUOBIHBE-LURJTMIESA-N 1 0 200.035 1.675 10 30 BDEERO Cc1ncc(CN2CCC[C@@H](C=O)C2)s1 ZINC000062337825 346240581 /nfs/dbraw/zinc/24/05/81/346240581.db2.gz SMJPRRCGBYVNKM-SNVBAGLBSA-N 1 0 224.329 1.862 10 30 BDEERO Cc1ccnc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1C#N ZINC000382445572 346252597 /nfs/dbraw/zinc/25/25/97/346252597.db2.gz JEPUQEIQHGDOOT-GHMZBOCLSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1ccc(Br)cc1NC(N)=[NH+]N ZINC000164590407 346610917 /nfs/dbraw/zinc/61/09/17/346610917.db2.gz BKLLWJFJRMIWLU-UHFFFAOYSA-N 1 0 243.108 1.358 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(C#N)n1 ZINC000092631327 347210939 /nfs/dbraw/zinc/21/09/39/347210939.db2.gz KSBHMEDPKPIWCD-CYBMUJFWSA-N 1 0 244.342 1.874 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C#N)ccn1 ZINC000092631315 347211275 /nfs/dbraw/zinc/21/12/75/347211275.db2.gz QUMBDFCWLXZWPK-CYBMUJFWSA-N 1 0 244.342 1.874 10 30 BDEERO C=C(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568885 347473940 /nfs/dbraw/zinc/47/39/40/347473940.db2.gz FOCBLJVSBVNQHD-NEPJUHHUSA-N 1 0 224.348 1.703 10 30 BDEERO SCC[NH+](CCS)Cc1ccccn1 ZINC000196003275 347761457 /nfs/dbraw/zinc/76/14/57/347761457.db2.gz UCUAOOAPWVJZKR-UHFFFAOYSA-N 1 0 228.386 1.743 10 30 BDEERO CC(C)[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594427479 348043894 /nfs/dbraw/zinc/04/38/94/348043894.db2.gz UUPANFFKRAOUQN-WDEREUQCSA-N 1 0 225.336 1.558 10 30 BDEERO CN1C[C@H](C[NH2+]Cc2cc(C#N)cs2)CC1=O ZINC000594982776 348164955 /nfs/dbraw/zinc/16/49/55/348164955.db2.gz HBWRPOULMKSPNA-JTQLQIEISA-N 1 0 249.339 1.188 10 30 BDEERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595979524 348414287 /nfs/dbraw/zinc/41/42/87/348414287.db2.gz AUZLLBSPUOFTDH-GVXVVHGQSA-N 1 0 235.331 1.137 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000595983125 348418056 /nfs/dbraw/zinc/41/80/56/348418056.db2.gz YQUADPSVSBOJMW-GMXVVIOVSA-N 1 0 235.331 1.124 10 30 BDEERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000596032152 348427294 /nfs/dbraw/zinc/42/72/94/348427294.db2.gz HNPAFZPHXJOOFR-QMMMGPOBSA-N 1 0 234.259 1.486 10 30 BDEERO N#C[C@H]1CCC[C@H]1NCc1cnc2n1CCC2 ZINC000597082805 348658793 /nfs/dbraw/zinc/65/87/93/348658793.db2.gz LFJDTGABKUNTKV-ZYHUDNBSSA-N 1 0 230.315 1.611 10 30 BDEERO C[C@@H]([NH3+])c1cccc(CNC(=O)CC#N)c1 ZINC000616574072 349076425 /nfs/dbraw/zinc/07/64/25/349076425.db2.gz WSVBPGSSIQEEOX-SECBINFHSA-N 1 0 217.272 1.236 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@H]1CCO[C@@H]1C(C)C ZINC000261632141 535123605 /nfs/dbraw/zinc/12/36/05/535123605.db2.gz JSHCXMWYWOFKHR-GHMZBOCLSA-N 1 0 227.352 1.360 10 30 BDEERO Cc1nn(-c2cccc(C#N)c2)c(C)c1C[NH3+] ZINC000035779174 180328939 /nfs/dbraw/zinc/32/89/39/180328939.db2.gz JHEMHNHOQPQDOB-UHFFFAOYSA-N 1 0 226.283 1.820 10 30 BDEERO Cc1nn(CC#N)c(C)c1C[NH2+]C1CC1 ZINC000036868823 180384018 /nfs/dbraw/zinc/38/40/18/180384018.db2.gz NJHKXJAWSOXVNX-UHFFFAOYSA-N 1 0 204.277 1.276 10 30 BDEERO N#Cc1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000616607093 350800117 /nfs/dbraw/zinc/80/01/17/350800117.db2.gz FYKMEPMAFIQDLK-ZDUSSCGKSA-N 1 0 215.300 1.654 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382471700 350839413 /nfs/dbraw/zinc/83/94/13/350839413.db2.gz QEUQYFMEUKDPDZ-ZYHUDNBSSA-N 1 0 230.315 1.801 10 30 BDEERO CNC(=[NH2+])Nc1ccc(F)c(F)c1F ZINC000052069393 350901960 /nfs/dbraw/zinc/90/19/60/350901960.db2.gz WELYTUMJRVNBMW-UHFFFAOYSA-N 1 0 203.167 1.270 10 30 BDEERO NC(=[NH2+])Nc1ccccc1SC(F)F ZINC000052091863 350917076 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202.323 1.228 10 30 BDEERO C[C@@H]1CC[N@H+](C[C@]2(C=O)CCOC2)[C@H]1C ZINC000306560004 360435104 /nfs/dbraw/zinc/43/51/04/360435104.db2.gz RDEHFIPUNXACDK-WOPDTQHZSA-N 1 0 211.305 1.322 10 30 BDEERO N#Cc1ccc(NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000389806492 360455597 /nfs/dbraw/zinc/45/55/97/360455597.db2.gz LMFDRKINJZNDIZ-ZDUSSCGKSA-N 1 0 231.299 1.349 10 30 BDEERO C#C[C@H]([NH3+])c1cc(Br)oc1C ZINC000306604714 360532403 /nfs/dbraw/zinc/53/24/03/360532403.db2.gz FEIXZGGQJSILBD-ZETCQYMHSA-N 1 0 214.062 1.984 10 30 BDEERO C[C@@H](CCC#N)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000429695407 201125571 /nfs/dbraw/zinc/12/55/71/201125571.db2.gz HMGBDTFCKBTXSF-RYUDHWBXSA-N 1 0 207.321 1.459 10 30 BDEERO O=CCC[NH+]1CCc2ccccc2CC1 ZINC000070620789 361647600 /nfs/dbraw/zinc/64/76/00/361647600.db2.gz JUPZUECHMUQQEP-UHFFFAOYSA-N 1 0 203.285 1.676 10 30 BDEERO [NH3+]CC#Cc1cccc(Cn2ccnc2)c1 ZINC000049610075 181346087 /nfs/dbraw/zinc/34/60/87/181346087.db2.gz ZQNFNNMSHNGWHA-UHFFFAOYSA-N 1 0 211.268 1.242 10 30 BDEERO [NH3+]CC#Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000049610798 181345919 /nfs/dbraw/zinc/34/59/19/181345919.db2.gz BYKSIEAVYGKAAS-OAHLLOKOSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1cc(CN2CCCC2=O)ccc1F ZINC000049609983 181346467 /nfs/dbraw/zinc/34/64/67/181346467.db2.gz KNDTWOLOYVZLLG-UHFFFAOYSA-N 1 0 246.285 1.258 10 30 BDEERO CCN(CC[NH3+])c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000122823658 363848189 /nfs/dbraw/zinc/84/81/89/363848189.db2.gz LYAJGQZKVXTILA-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C#N)cn1)C2 ZINC000600955589 364374734 /nfs/dbraw/zinc/37/47/34/364374734.db2.gz CZSGSXBRGCREFR-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000600963115 364394212 /nfs/dbraw/zinc/39/42/12/364394212.db2.gz SDGLPCUSYFJIAO-WCBMZHEXSA-N 1 0 246.270 1.392 10 30 BDEERO C[NH+](C)[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000170864157 364544639 /nfs/dbraw/zinc/54/46/39/364544639.db2.gz MDOAUGSJOMDWDW-SNVBAGLBSA-N 1 0 249.339 1.396 10 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C[C@@H]1CC[C@H](Nc2cccc(C#N)n2)C[NH2+]1 ZINC000600955457 369577221 /nfs/dbraw/zinc/57/72/21/369577221.db2.gz MXFQYAKRLBJLHH-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1ccnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1C#N ZINC000600956249 369577394 /nfs/dbraw/zinc/57/73/94/369577394.db2.gz YHGWRWUDZFKVFX-WDEREUQCSA-N 1 0 230.315 1.814 10 30 BDEERO N#Cc1ccncc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958972 369577479 /nfs/dbraw/zinc/57/74/79/369577479.db2.gz NYBSYFFNEIZVEH-GFCCVEGCSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1nnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(C#N)c1C ZINC000600956042 369576018 /nfs/dbraw/zinc/57/60/18/369576018.db2.gz VBPLKPWIGRKNJW-KCJUWKMLSA-N 1 0 245.330 1.518 10 30 BDEERO C[C@H]1CC[C@H](Nc2cccc(C#N)n2)C[NH2+]1 ZINC000600955459 369578543 /nfs/dbraw/zinc/57/85/43/369578543.db2.gz MXFQYAKRLBJLHH-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000600961634 369579416 /nfs/dbraw/zinc/57/94/16/369579416.db2.gz TTYIIULKDJIYJN-JQWIXIFHSA-N 1 0 244.342 1.601 10 30 BDEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1 ZINC000600963713 369579676 /nfs/dbraw/zinc/57/96/76/369579676.db2.gz ZGKHDXMQXXMKFC-KOLCDFICSA-N 1 0 201.273 1.484 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1cccc(F)c1C#N ZINC000600962524 369580646 /nfs/dbraw/zinc/58/06/46/369580646.db2.gz FRRADQGHWQXZGB-IUCAKERBSA-N 1 0 219.263 1.623 10 30 BDEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000600962681 369582456 /nfs/dbraw/zinc/58/24/56/369582456.db2.gz JDMUDVVZVXNQLR-XYPYZODXSA-N 1 0 230.315 1.883 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000251020634 369640269 /nfs/dbraw/zinc/64/02/69/369640269.db2.gz FCJIZKAWXZERGI-GRYCIOLGSA-N 1 0 208.305 1.695 10 30 BDEERO C[C@H]1CN(Cc2ccnc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251712713 369909004 /nfs/dbraw/zinc/90/90/04/369909004.db2.gz JMSOOXUQWVBYCK-SMDDNHRTSA-N 1 0 244.342 1.335 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000063093181 370129946 /nfs/dbraw/zinc/12/99/46/370129946.db2.gz YXNZQGXMOJYNHN-KPPDAEKUSA-N 1 0 223.320 1.264 10 30 BDEERO N#Cc1cccnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310769425 370364456 /nfs/dbraw/zinc/36/44/56/370364456.db2.gz CKDQKLQCNOHLNC-BETUJISGSA-N 1 0 242.326 1.389 10 30 BDEERO N#Cc1cccnc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311040017 370382280 /nfs/dbraw/zinc/38/22/80/370382280.db2.gz VCUGSZCTVGJYCH-JSGCOSHPSA-N 1 0 242.326 1.518 10 30 BDEERO C=C(CC)C[NH2+]C[C@@H](O)COCCCC ZINC000313488709 370591112 /nfs/dbraw/zinc/59/11/12/370591112.db2.gz AFCBUHIQKHQYLE-GFCCVEGCSA-N 1 0 215.337 1.720 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cc(C#N)ccn1 ZINC000070010554 371002412 /nfs/dbraw/zinc/00/24/12/371002412.db2.gz HBURMSKDGVRQMX-JTQLQIEISA-N 1 0 204.277 1.348 10 30 BDEERO CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092630816 371107100 /nfs/dbraw/zinc/10/71/00/371107100.db2.gz KKYYAEPBHLMVDI-RYUDHWBXSA-N 1 0 237.347 1.479 10 30 BDEERO C[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124148561 371154217 /nfs/dbraw/zinc/15/42/17/371154217.db2.gz JMSOOXUQWVBYCK-RISCZKNCSA-N 1 0 244.342 1.335 10 30 BDEERO CCc1nnc(NC[C@H](C)[NH3+])c(C#N)c1CC ZINC000124177109 371160898 /nfs/dbraw/zinc/16/08/98/371160898.db2.gz XJDXNIAMGLGNES-QMMMGPOBSA-N 1 0 233.319 1.232 10 30 BDEERO CC[C@H]1CN(c2cccnc2C#N)CC[C@@H]1[NH3+] ZINC000131094152 371557360 /nfs/dbraw/zinc/55/73/60/371557360.db2.gz VBHMMSLKGCRYGJ-QWRGUYRKSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(C#N)cc(NCC2CC[NH2+]CC2)n1 ZINC000161724146 371557454 /nfs/dbraw/zinc/55/74/54/371557454.db2.gz NSDFUSNQGBBYOW-UHFFFAOYSA-N 1 0 230.315 1.673 10 30 BDEERO CC(C)(C)C#CC[NH+]1CCC2(CC1)OCCO2 ZINC000304126101 371761053 /nfs/dbraw/zinc/76/10/53/371761053.db2.gz LBMLVLOGOPZHQO-UHFFFAOYSA-N 1 0 237.343 1.875 10 30 BDEERO NC(=[NH2+])NN=Cc1ccc(Br)s1 ZINC000057931695 371930843 /nfs/dbraw/zinc/93/08/43/371930843.db2.gz MFYPNPRQAKNXMV-XCVCLJGOSA-N 1 0 247.121 1.118 10 30 BDEERO C#CC[C@H]([NH3+])c1ncccc1Br ZINC000133207945 372005669 /nfs/dbraw/zinc/00/56/69/372005669.db2.gz KMHLEWHQQSYKIL-QMMMGPOBSA-N 1 0 225.089 1.867 10 30 BDEERO CN(CCC[NH3+])c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000133830876 372118833 /nfs/dbraw/zinc/11/88/33/372118833.db2.gz WNAHADYHTPYPFU-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO CN(CCC[NH3+])c1cc(C#N)c2ccccc2n1 ZINC000133832874 372119397 /nfs/dbraw/zinc/11/93/97/372119397.db2.gz QFKJAJJURVFYSD-UHFFFAOYSA-N 1 0 240.310 1.891 10 30 BDEERO C=C(Br)CN1[C@H](C)C[NH2+]C[C@H]1C ZINC000068914212 373089174 /nfs/dbraw/zinc/08/91/74/373089174.db2.gz XKIBTHGVTDSBHJ-RKDXNWHRSA-N 1 0 233.153 1.577 10 30 BDEERO CC(C)(C#N)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000142241286 373115494 /nfs/dbraw/zinc/11/54/94/373115494.db2.gz CYFBHRJMWISQIT-UHFFFAOYSA-N 1 0 229.327 1.897 10 30 BDEERO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054828224 169217477 /nfs/dbraw/zinc/21/74/77/169217477.db2.gz UZEWBWGIDUAVTD-VXGBXAGGSA-N 1 0 237.347 1.575 10 30 BDEERO CCCOCc1cc(C#CC[NH3+])ccc1OC ZINC000049611045 169309670 /nfs/dbraw/zinc/30/96/70/169309670.db2.gz FIKDFDQOYTXRNO-UHFFFAOYSA-N 1 0 233.311 1.932 10 30 BDEERO CCCO[C@H]1CCC[N@H+](C[C@@H](C)/C(N)=N/O)C1 ZINC000042422564 169313168 /nfs/dbraw/zinc/31/31/68/169313168.db2.gz BJSFFKQYLZALBN-MNOVXSKESA-N 1 0 243.351 1.260 10 30 BDEERO CCCN[C@](C)(C#N)CC[N@H+](C)CCCOC ZINC000062034595 169292506 /nfs/dbraw/zinc/29/25/06/169292506.db2.gz HSXOSPZWVXHXAS-ZDUSSCGKSA-N 1 0 241.379 1.627 10 30 BDEERO C#CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227357669 134378589 /nfs/dbraw/zinc/37/85/89/134378589.db2.gz VUTHDJNYROCSAF-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000336172984 383983825 /nfs/dbraw/zinc/98/38/25/383983825.db2.gz LSOGPPLVWQLWSK-KWQFWETISA-N 1 0 249.339 1.376 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334745262 383946747 /nfs/dbraw/zinc/94/67/47/383946747.db2.gz FBXHMZSQCAUMET-FZMZJTMJSA-N 1 0 230.311 1.761 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334745247 383946921 /nfs/dbraw/zinc/94/69/21/383946921.db2.gz DOPMWEQQMKDATC-BXUZGUMPSA-N 1 0 230.311 1.761 10 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30 BDEERO C=C(Br)CN1CCC[C@@H](C[NH3+])C1 ZINC000044531479 384778026 /nfs/dbraw/zinc/77/80/26/384778026.db2.gz CYZNWFAYNDWHRB-VIFPVBQESA-N 1 0 233.153 1.566 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cn1 ZINC000320639928 384779098 /nfs/dbraw/zinc/77/90/98/384779098.db2.gz DNZVQTJXCSRKSC-IUCAKERBSA-N 1 0 204.277 1.491 10 30 BDEERO N[NH+]=C(NCc1ccccc1)NC1CCCC1 ZINC000156781186 384876232 /nfs/dbraw/zinc/87/62/32/384876232.db2.gz GYLFCOBJBHHQQK-UHFFFAOYSA-N 1 0 232.331 1.538 10 30 BDEERO C#CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088022968 384965767 /nfs/dbraw/zinc/96/57/67/384965767.db2.gz YZEKQSIHUYQXEP-CHWSQXEVSA-N 1 0 207.317 1.637 10 30 BDEERO C=CCOCC[N@H+]1CCC[C@H]1CCCO ZINC000338952478 384963114 /nfs/dbraw/zinc/96/31/14/384963114.db2.gz CKYMFJIUHIJRQQ-LBPRGKRZSA-N 1 0 213.321 1.426 10 30 BDEERO CN(c1cc(C#N)ccn1)[C@H]1CCC[NH2+]C1 ZINC000082500101 385287964 /nfs/dbraw/zinc/28/79/64/385287964.db2.gz DJUBTEGQYJKBHE-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])cc(C#N)n1 ZINC000308235623 385409455 /nfs/dbraw/zinc/40/94/55/385409455.db2.gz AOWYJLOXWJXSSX-RKDXNWHRSA-N 1 0 204.277 1.409 10 30 BDEERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C#N ZINC000111304658 385503282 /nfs/dbraw/zinc/50/32/82/385503282.db2.gz DCHDADMQOOGLQW-QMMMGPOBSA-N 1 0 235.247 1.011 10 30 BDEERO C#CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000309533955 385671770 /nfs/dbraw/zinc/67/17/70/385671770.db2.gz DSFCGIQUTXAKDM-CHWSQXEVSA-N 1 0 217.316 1.980 10 30 BDEERO C#CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000309533956 385670988 /nfs/dbraw/zinc/67/09/88/385670988.db2.gz DSFCGIQUTXAKDM-OLZOCXBDSA-N 1 0 217.316 1.980 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H](C)CCC[NH3+])n1 ZINC000309188680 385952991 /nfs/dbraw/zinc/95/29/91/385952991.db2.gz ARGVDGXZZWACAB-VIFPVBQESA-N 1 0 218.304 1.801 10 30 BDEERO C[C@@H]([NH3+])CCNc1c(C#N)nnc2ccccc21 ZINC000085920863 386206441 /nfs/dbraw/zinc/20/64/41/386206441.db2.gz YGPMBYLZQSFLBB-SECBINFHSA-N 1 0 241.298 1.651 10 30 BDEERO Cc1cc(N[C@H](CC[NH3+])C(F)F)c(C#N)cn1 ZINC000399082635 386198713 /nfs/dbraw/zinc/19/87/13/386198713.db2.gz QEHZMOXLIGZYEJ-SECBINFHSA-N 1 0 240.257 1.078 10 30 BDEERO CC#CCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000164989110 386444900 /nfs/dbraw/zinc/44/49/00/386444900.db2.gz ZVSXWNXWOFGEHB-KBPBESRZSA-N 1 0 220.360 1.958 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000399225842 386510559 /nfs/dbraw/zinc/51/05/59/386510559.db2.gz YSQNQNLWRPEJHM-FZMZJTMJSA-N 1 0 230.311 1.903 10 30 BDEERO C#CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020084677 533178819 /nfs/dbraw/zinc/17/88/19/533178819.db2.gz RRJVEAKQBYJXGV-UHFFFAOYSA-N 1 0 230.311 1.246 10 30 BDEERO C[C@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337460 387595739 /nfs/dbraw/zinc/59/57/39/387595739.db2.gz MKKWSRRRGJPRIG-ZCFIWIBFSA-N 1 0 244.220 1.731 10 30 BDEERO CNC(N[C@@H]1CC[C@@H](C)SC1)=[NH+]C ZINC000575534155 387556117 /nfs/dbraw/zinc/55/61/17/387556117.db2.gz HQUIZWLMLFEHLI-HTQZYQBOSA-N 1 0 201.339 1.065 10 30 BDEERO Cc1cc(C)c(C#N)c(OC[C@H]2CC[NH2+]C2)n1 ZINC000051889111 177837841 /nfs/dbraw/zinc/83/78/41/177837841.db2.gz LZAQVEZWYCMVOJ-NSHDSACASA-N 1 0 231.299 1.558 10 30 BDEERO C[NH+](C)[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000071139972 388268434 /nfs/dbraw/zinc/26/84/34/388268434.db2.gz CQQYEZJZXJCTGH-NSHDSACASA-N 1 0 235.331 1.233 10 30 BDEERO C=C(Cl)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000228598809 388386356 /nfs/dbraw/zinc/38/63/56/388386356.db2.gz UHYSNCHXNPPQFH-LPEHRKFASA-N 1 0 200.713 1.279 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)cn1 ZINC000336661200 388460368 /nfs/dbraw/zinc/46/03/68/388460368.db2.gz NWXDHPHJAGJNGH-SNVBAGLBSA-N 1 0 218.304 1.305 10 30 BDEERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000056958590 388614230 /nfs/dbraw/zinc/61/42/30/388614230.db2.gz ZDBJRAVHOPFWTB-RYUDHWBXSA-N 1 0 230.267 1.034 10 30 BDEERO C/[N+](O)=C\c1ccc(Br)cc1 ZINC000225402488 388680708 /nfs/dbraw/zinc/68/07/08/388680708.db2.gz CNXLESCAXUFVHG-UXBLZVDNSA-N 1 0 215.070 1.900 10 30 BDEERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)cc(C#N)n1 ZINC000308236254 388658835 /nfs/dbraw/zinc/65/88/35/388658835.db2.gz BPRAARLIUILAHM-QWRGUYRKSA-N 1 0 230.315 1.435 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCOC1 ZINC000229636131 388796390 /nfs/dbraw/zinc/79/63/90/388796390.db2.gz DAQQDFWQKFIDLE-IRCOFANPSA-N 1 0 208.305 1.693 10 30 BDEERO CC1(C)CSC(NCC2CSC2)=[NH+]1 ZINC000575488668 388881027 /nfs/dbraw/zinc/88/10/27/388881027.db2.gz VMSVSWUMPCHZQG-UHFFFAOYSA-N 1 0 216.375 1.820 10 30 BDEERO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000564574704 388878598 /nfs/dbraw/zinc/87/85/98/388878598.db2.gz FWXSEIPJRUHWFY-NEPJUHHUSA-N 1 0 209.337 1.562 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@@H]1CCO[C@@H]1C(C)C ZINC000261688392 533510967 /nfs/dbraw/zinc/51/09/67/533510967.db2.gz ROGNMGTYZOPXAR-NWDGAFQWSA-N 1 0 239.363 1.528 10 30 BDEERO N#Cc1ccnc(N2CCC(C[NH3+])CC2)c1 ZINC000044514700 132298059 /nfs/dbraw/zinc/29/80/59/132298059.db2.gz YHBVMOJUSTXOQV-UHFFFAOYSA-N 1 0 216.288 1.128 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nn1 ZINC000301947088 132308727 /nfs/dbraw/zinc/30/87/27/132308727.db2.gz XVZJDARIEXSQOJ-LBPRGKRZSA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1ccc(N2CCC[C@H](C[NH3+])C2)nc1 ZINC000044532024 132354267 /nfs/dbraw/zinc/35/42/67/132354267.db2.gz SQAOVIMXQAZATH-LLVKDONJSA-N 1 0 216.288 1.128 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000220881047 134316543 /nfs/dbraw/zinc/31/65/43/134316543.db2.gz IUNNDRYMRNYTJX-WOPDTQHZSA-N 1 0 208.305 1.695 10 30 BDEERO C#CCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248575930 135020285 /nfs/dbraw/zinc/02/02/85/135020285.db2.gz DMYAXOPGLFCOBV-RWMBFGLXSA-N 1 0 234.343 1.376 10 30 BDEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000248874565 135023572 /nfs/dbraw/zinc/02/35/72/135023572.db2.gz IXWDEEAVSUVUTF-IJLUTSLNSA-N 1 0 245.330 1.265 10 30 BDEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCn3ncnc32)C1 ZINC000249057339 135030876 /nfs/dbraw/zinc/03/08/76/135030876.db2.gz ZBCQHBBLQHFXPS-WOPDTQHZSA-N 1 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0 212.322 1.348 10 30 BDEERO CNC(N[C@H]1COc2ccc(F)cc21)=[NH+]C ZINC000262386434 135298828 /nfs/dbraw/zinc/29/88/28/135298828.db2.gz LKVZANSZCUZJHI-VIFPVBQESA-N 1 0 223.251 1.054 10 30 BDEERO CN(C(=[NH2+])N[C@H]1COc2ccc(F)cc21)C1CC1 ZINC000262471643 135300727 /nfs/dbraw/zinc/30/07/27/135300727.db2.gz ZDSQWIJPVLSNIC-NSHDSACASA-N 1 0 249.289 1.668 10 30 BDEERO C=CCNC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262465719 135300924 /nfs/dbraw/zinc/30/09/24/135300924.db2.gz YFTSZPUJQNRBLW-JTQLQIEISA-N 1 0 235.262 1.350 10 30 BDEERO C[C@H]1C[NH+]=C(NCc2cc(C#N)ccc2F)N1 ZINC000262665699 135312285 /nfs/dbraw/zinc/31/22/85/135312285.db2.gz ONHSLFFYLSPIDC-QMMMGPOBSA-N 1 0 232.262 1.135 10 30 BDEERO C[C@H]1C[NH+]=C(NCc2nccc3ccccc32)N1 ZINC000262675884 135312811 /nfs/dbraw/zinc/31/28/11/135312811.db2.gz TYBXLLXRBBSCQC-JTQLQIEISA-N 1 0 240.310 1.672 10 30 BDEERO [NH2+]=C(NC1CCC1)N[C@@H]1COc2ccc(F)cc21 ZINC000263093707 135331801 /nfs/dbraw/zinc/33/18/01/135331801.db2.gz JBROYLWFPYPXGV-LLVKDONJSA-N 1 0 249.289 1.716 10 30 BDEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)N1CCOCC1 ZINC000263196658 135338477 /nfs/dbraw/zinc/33/84/77/135338477.db2.gz WNWCYMLRENLAEY-AGIUHOORSA-N 1 0 249.358 1.236 10 30 BDEERO C=CCNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263286173 135344597 /nfs/dbraw/zinc/34/45/97/135344597.db2.gz URRUOIYRTRQGJP-SNVBAGLBSA-N 1 0 207.321 1.800 10 30 BDEERO C[C@@H]1CN(CC2(C#N)CC2)C[C@H]1[NH+](C)C ZINC000334324127 135352807 /nfs/dbraw/zinc/35/28/07/135352807.db2.gz ZZAGNIKSKIHQEY-GHMZBOCLSA-N 1 0 207.321 1.172 10 30 BDEERO C[C@H]1CCCC[N@@H+]1CCC(=O)NC1(C#N)CCC1 ZINC000407994784 397803572 /nfs/dbraw/zinc/80/35/72/397803572.db2.gz DYTDCNUCBHOSCN-LBPRGKRZSA-N 1 0 249.358 1.813 10 30 BDEERO C#CCCOc1ccc(CC[NH3+])cc1OCC ZINC000037721083 166150567 /nfs/dbraw/zinc/15/05/67/166150567.db2.gz JCUBLWCNLSZJMS-UHFFFAOYSA-N 1 0 233.311 1.989 10 30 BDEERO C#CC[NH2+]CCN1CCc2ccccc2C1 ZINC000053343311 166188161 /nfs/dbraw/zinc/18/81/61/166188161.db2.gz ZMUHXBXEQYIUQP-UHFFFAOYSA-N 1 0 214.312 1.268 10 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1.560 10 30 BDEERO C=CC[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000095081798 166398851 /nfs/dbraw/zinc/39/88/51/166398851.db2.gz AMEFJJUOQXXMIJ-UHFFFAOYSA-N 1 0 236.290 1.260 10 30 BDEERO C=CC[NH2+]CC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000049836953 166399563 /nfs/dbraw/zinc/39/95/63/166399563.db2.gz CNIXIQFUFQNLGI-LBPRGKRZSA-N 1 0 249.310 1.657 10 30 BDEERO CC(C)Oc1ccccc1C=NNC(N)=[NH2+] ZINC000041224070 167308465 /nfs/dbraw/zinc/30/84/65/167308465.db2.gz ACXXPLVHGPWPGJ-VGOFMYFVSA-N 1 0 220.276 1.291 10 30 BDEERO C=CCNc1ncnc2c1CN(C)CC2 ZINC000299563175 411302576 /nfs/dbraw/zinc/30/25/76/411302576.db2.gz DRMUBQQSUZOOSY-UHFFFAOYSA-N 1 0 204.277 1.062 10 30 BDEERO CC1CCC([N@H+](C)C[C@@](C)(N)C#N)CC1 ZINC000045177772 168160348 /nfs/dbraw/zinc/16/03/48/168160348.db2.gz DVEXKAMDHXBVBN-MCIGGMRASA-N 1 0 209.337 1.738 10 30 BDEERO CC[NH2+]CCCNc1cc(C#N)ccn1 ZINC000038043376 170112943 /nfs/dbraw/zinc/11/29/43/170112943.db2.gz RLYGNHZIWYLNGL-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO CCOC(=O)/C(=C/C=C\[NH+](C)C)C(C)=O ZINC000033388414 170179965 /nfs/dbraw/zinc/17/99/65/170179965.db2.gz YIJHRQWIUWJINF-GOOBONSCSA-N 1 0 211.261 1.140 10 30 BDEERO CCOCC[N@H+](CC/C(N)=N/O)CC(C)C ZINC000043418829 170397124 /nfs/dbraw/zinc/39/71/24/170397124.db2.gz IMEIPBBJEQJLHZ-UHFFFAOYSA-N 1 0 231.340 1.117 10 30 BDEERO Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)ccc1C#N ZINC000600959705 411750948 /nfs/dbraw/zinc/75/09/48/411750948.db2.gz ZJTKENGLEXVBTB-GXSJLCMTSA-N 1 0 216.288 1.424 10 30 BDEERO CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000104345860 172339553 /nfs/dbraw/zinc/33/95/53/172339553.db2.gz FVGBSDGURBUXNQ-CYBMUJFWSA-N 1 0 243.310 1.382 10 30 BDEERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000042562075 173295545 /nfs/dbraw/zinc/29/55/45/173295545.db2.gz ZYPNQCKNCKDFCX-NXEZZACHSA-N 1 0 231.299 1.343 10 30 BDEERO C[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000019833583 173325580 /nfs/dbraw/zinc/32/55/80/173325580.db2.gz CIUBGUBNDBIJIV-UHFFFAOYSA-N 1 0 217.272 1.153 10 30 BDEERO C[NH2+]C[C@@H]1CCN(c2ccccc2C#N)C1 ZINC000070800355 173370623 /nfs/dbraw/zinc/37/06/23/173370623.db2.gz PVCCQQCZJNSDSY-NSHDSACASA-N 1 0 215.300 1.604 10 30 BDEERO COCC[N@H+](C[C@H](C)/C(N)=N/O)[C@@H](C)C1CC1 ZINC000042679932 174297443 /nfs/dbraw/zinc/29/74/43/174297443.db2.gz VZNUVFDVEYVMMY-UWVGGRQHSA-N 1 0 243.351 1.116 10 30 BDEERO COCC[NH2+]Cc1cc(C)ccc1OCC#N ZINC000071407538 174334225 /nfs/dbraw/zinc/33/42/25/174334225.db2.gz LQDWPLPGYNMFRA-UHFFFAOYSA-N 1 0 234.299 1.633 10 30 BDEERO COc1ccc(C#CCO)cc1C[N@H+](C)C1CC1 ZINC000049617404 175051071 /nfs/dbraw/zinc/05/10/71/175051071.db2.gz KEIBCPOQIFAJOZ-UHFFFAOYSA-N 1 0 245.322 1.633 10 30 BDEERO COc1ccc(C(=O)NC(C)C)cc1C#CC[NH3+] ZINC000038074471 175058374 /nfs/dbraw/zinc/05/83/74/175058374.db2.gz JPILIWWEYRRTEU-UHFFFAOYSA-N 1 0 246.310 1.144 10 30 BDEERO C[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000054338766 175706236 /nfs/dbraw/zinc/70/62/36/175706236.db2.gz AFFISNSKYQMMLG-ZETCQYMHSA-N 1 0 237.690 1.745 10 30 BDEERO C[C@@H](S)c1nnc(C2CC[NH2+]CC2)o1 ZINC000083347536 176007319 /nfs/dbraw/zinc/00/73/19/176007319.db2.gz VUPLRJIBTNJGPK-ZCFIWIBFSA-N 1 0 213.306 1.527 10 30 BDEERO C[C@@H](S)c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000083347540 176007429 /nfs/dbraw/zinc/00/74/29/176007429.db2.gz CSBRTKHEGXPAPJ-RNFRBKRXSA-N 1 0 213.306 1.527 10 30 BDEERO C[C@@H](c1cccc(C#N)c1)N1CC[NH2+]CC1 ZINC000069637397 176016682 /nfs/dbraw/zinc/01/66/82/176016682.db2.gz JMZITBZHHYXLPQ-NSHDSACASA-N 1 0 215.300 1.524 10 30 BDEERO C[C@@H]1CN(c2cc(C#N)ccn2)C[C@@H]1[NH+](C)C ZINC000124033036 176318783 /nfs/dbraw/zinc/31/87/83/176318783.db2.gz CEMJJDLTNUBINL-PWSUYJOCSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCCC#N ZINC000338998403 176322474 /nfs/dbraw/zinc/32/24/74/176322474.db2.gz SNBODUHZAPRYPU-CHWSQXEVSA-N 1 0 237.347 1.085 10 30 BDEERO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586408 176386541 /nfs/dbraw/zinc/38/65/41/176386541.db2.gz UPEYFMMOVOSJSO-RISCZKNCSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@H](CCC[NH3+])Nc1ncccc1C#N ZINC000336707387 176620813 /nfs/dbraw/zinc/62/08/13/176620813.db2.gz RSPAURDDFJEUMZ-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO C[C@H](CC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000336787409 176627369 /nfs/dbraw/zinc/62/73/69/176627369.db2.gz DWTZGUCEBWACGJ-SNVBAGLBSA-N 1 0 240.310 1.678 10 30 BDEERO C[C@H]1CC(=O)N(Cc2ccccc2C#CC[NH3+])C1 ZINC000062817448 177061392 /nfs/dbraw/zinc/06/13/92/177061392.db2.gz LXWWMSNXEGIZCM-LBPRGKRZSA-N 1 0 242.322 1.365 10 30 BDEERO C[C@H]1CCC(=O)N1CC#CC[NH+]1CCCC1 ZINC000013448101 177068957 /nfs/dbraw/zinc/06/89/57/177068957.db2.gz BZCOASIWPFVBQZ-LBPRGKRZSA-N 1 0 220.316 1.097 10 30 BDEERO C[C@H]1CCCC[C@]1(C#N)NCC[NH+](C)C ZINC000037940683 177090679 /nfs/dbraw/zinc/09/06/79/177090679.db2.gz GYWXDRQTJQPXJA-NWDGAFQWSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1CCC[C@@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940407 177127959 /nfs/dbraw/zinc/12/79/59/177127959.db2.gz GBTKTNSJUWRDTQ-QWHCGFSZSA-N 1 0 221.348 1.754 10 30 BDEERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000020055268 177137218 /nfs/dbraw/zinc/13/72/18/177137218.db2.gz XLSYLARRMRMRLJ-TUAOUCFPSA-N 1 0 237.347 1.431 10 30 BDEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1 ZINC000335658462 177174709 /nfs/dbraw/zinc/17/47/09/177174709.db2.gz UVUQOPNCOREGAB-GWCFXTLKSA-N 1 0 215.300 1.968 10 30 BDEERO C[C@H]1CN(Cc2ccccc2C#N)C[C@H]1[NH+](C)C ZINC000251529165 177265976 /nfs/dbraw/zinc/26/59/76/177265976.db2.gz AGLRHTYPMUMUDY-SWLSCSKDSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H]1CN(c2cc(C#N)ccn2)C[C@@H]1[NH+](C)C ZINC000124033239 177275839 /nfs/dbraw/zinc/27/58/39/177275839.db2.gz CEMJJDLTNUBINL-JQWIXIFHSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1CN(c2cnccc2C#N)C[C@H]1[NH+](C)C ZINC000252506230 177278385 /nfs/dbraw/zinc/27/83/85/177278385.db2.gz WVEJMWVQJXHYTF-GXFFZTMASA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104228688 177286122 /nfs/dbraw/zinc/28/61/22/177286122.db2.gz ZORAPFIEQXTIIB-GWCFXTLKSA-N 1 0 243.310 1.547 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000282466227 177393316 /nfs/dbraw/zinc/39/33/16/177393316.db2.gz UJEAGQBGCWKNKG-KCJUWKMLSA-N 1 0 249.339 1.376 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000282466230 177394178 /nfs/dbraw/zinc/39/41/78/177394178.db2.gz UJEAGQBGCWKNKG-LDYMZIIASA-N 1 0 249.339 1.376 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000308241105 229224848 /nfs/dbraw/zinc/22/48/48/229224848.db2.gz NLXGKWINABJYNX-WDEREUQCSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C#N)n1 ZINC000308245549 323159721 /nfs/dbraw/zinc/15/97/21/323159721.db2.gz RTKWMAPVDSITBE-FZMZJTMJSA-N 1 0 242.326 1.450 10 30 BDEERO Cc1cc(C#N)nc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320682421 323573000 /nfs/dbraw/zinc/57/30/00/323573000.db2.gz LLRPGFANXCYBBS-JGVFFNPUSA-N 1 0 219.292 1.194 10 30 BDEERO C=CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120215863 534532685 /nfs/dbraw/zinc/53/26/85/534532685.db2.gz JUAXDSCZSZIBRE-LBPRGKRZSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000163702610 534703919 /nfs/dbraw/zinc/70/39/19/534703919.db2.gz DLGQQVOQXBLKIN-CYBMUJFWSA-N 1 0 224.348 1.943 10 30 BDEERO C=CCNC(=[NH2+])NCC1(C)CCC(OC)CC1 ZINC000262378771 534845329 /nfs/dbraw/zinc/84/53/29/534845329.db2.gz NOIZVRNCDQYLQO-UHFFFAOYSA-N 1 0 239.363 1.672 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC1(C)C ZINC000262796016 535263583 /nfs/dbraw/zinc/26/35/83/535263583.db2.gz LSTSQQAHULSVCT-QWRGUYRKSA-N 1 0 239.363 1.377 10 30 BDEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)C[C@@H]1CCOC1 ZINC000261662295 535265401 /nfs/dbraw/zinc/26/54/01/535265401.db2.gz NXOSAIKEZUUYNN-SDDRHHMPSA-N 1 0 239.363 1.329 10 30 BDEERO CC(C)[C@@H]1OCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262546192 535298753 /nfs/dbraw/zinc/29/87/53/535298753.db2.gz VKTSXPGMBWKMPS-RYUDHWBXSA-N 1 0 241.379 1.527 10 30 BDEERO C[C@@]([NH3+])(CCC=O)COCc1ccccc1 ZINC000757172751 582551912 /nfs/dbraw/zinc/55/19/12/582551912.db2.gz QWLSMYMTPGPGHP-CYBMUJFWSA-N 1 0 221.300 1.900 10 30 BDEERO CC(C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698468 582805907 /nfs/dbraw/zinc/80/59/07/582805907.db2.gz POSKGWGALQYQHT-UHFFFAOYSA-N 1 0 223.341 1.932 10 30 BDEERO N#Cc1ccc(-c2cccc(C[NH3+])c2)nn1 ZINC000757570130 586462757 /nfs/dbraw/zinc/46/27/57/586462757.db2.gz AMUDHFIVHAIYEY-UHFFFAOYSA-N 1 0 210.240 1.474 10 30 BDEERO COC1CC([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000234694172 631664249 /nfs/dbraw/zinc/66/42/49/631664249.db2.gz UANQEDUFEZMIQT-RUXDESIVSA-N 1 0 246.310 1.359 10 30 BDEERO Cc1cc(C#N)nc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000310355315 632723622 /nfs/dbraw/zinc/72/36/22/632723622.db2.gz IFDCIOQTTCHKRM-ZJUUUORDSA-N 1 0 231.303 1.196 10 30 BDEERO C#CCC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000070246140 636028469 /nfs/dbraw/zinc/02/84/69/636028469.db2.gz XWSAFXWALMEFNV-UHFFFAOYSA-N 1 0 228.299 1.390 10 30 BDEERO C#CCN(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000192237293 636049689 /nfs/dbraw/zinc/04/96/89/636049689.db2.gz QJVLLXFCPICSOT-UHFFFAOYSA-N 1 0 234.318 1.823 10 30 BDEERO CCN(c1ccc(C#N)nc1)[C@H]1CC[NH2+]C1 ZINC000122675073 633835763 /nfs/dbraw/zinc/83/57/63/633835763.db2.gz UPQXEWHSNGDXON-LBPRGKRZSA-N 1 0 216.288 1.141 10 30 BDEERO CC(C)(CO)[NH2+]Cc1cccc(C#N)c1F ZINC000221917158 640430739 /nfs/dbraw/zinc/43/07/39/640430739.db2.gz PAPIXPLJCSYTQQ-UHFFFAOYSA-N 1 0 222.263 1.558 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000226441435 640766246 /nfs/dbraw/zinc/76/62/46/640766246.db2.gz GLJCVTPTXPXQQJ-LEWSCRJBSA-N 1 0 246.310 1.359 10 30 BDEERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890671 641004983 /nfs/dbraw/zinc/00/49/83/641004983.db2.gz CSKPPRSYNROCEJ-MNOVXSKESA-N 1 0 237.347 1.573 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)cn1 ZINC000063169587 641143248 /nfs/dbraw/zinc/14/32/48/641143248.db2.gz FBNSBICISFSFAP-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO CN(c1nc(Cl)c(C#N)s1)C1C[NH2+]C1 ZINC000234269964 641201022 /nfs/dbraw/zinc/20/10/22/641201022.db2.gz GXUUIJWAIYBREH-UHFFFAOYSA-N 1 0 228.708 1.076 10 30 BDEERO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190864586 641893248 /nfs/dbraw/zinc/89/32/48/641893248.db2.gz BUSXNYRNGFCCKU-DOMZBBRYSA-N 1 0 244.338 1.927 10 30 BDEERO C#CCCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000154905377 642300983 /nfs/dbraw/zinc/30/09/83/642300983.db2.gz XJZJNGXMAVHSMK-GFCCVEGCSA-N 1 0 237.347 1.135 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000070246417 643004556 /nfs/dbraw/zinc/00/45/56/643004556.db2.gz MLESTPATGLIBOX-UHFFFAOYSA-N 1 0 234.255 1.716 10 30 BDEERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H]1C ZINC000095019850 644739205 /nfs/dbraw/zinc/73/92/05/644739205.db2.gz KDORADZIDHKSKG-QWRGUYRKSA-N 1 0 238.331 1.667 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1cc(C#N)ccn1 ZINC000723820961 711537750 /nfs/dbraw/zinc/53/77/50/711537750.db2.gz KIQZDYTVSPOEKH-KOLCDFICSA-N 1 0 216.288 1.221 10 30 BDEERO COC(=O)[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H]1C ZINC000227823728 711833090 /nfs/dbraw/zinc/83/30/90/711833090.db2.gz RRTVKTAHYKBVCR-WDEREUQCSA-N 1 0 236.315 1.421 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206925 712285383 /nfs/dbraw/zinc/28/53/83/712285383.db2.gz HMBAIKSSDXZAQZ-UWVGGRQHSA-N 1 0 236.340 1.537 10 30 BDEERO N#Cc1ncccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715128861 712511291 /nfs/dbraw/zinc/51/12/91/712511291.db2.gz QPIPEIXYGOQBLX-KYZUINATSA-N 1 0 202.261 1.102 10 30 BDEERO C#CC[C@@H](CO)[NH2+][C@H]1CCc2ccccc21 ZINC000717801183 712679532 /nfs/dbraw/zinc/67/95/32/712679532.db2.gz JUAHZDMPAWTVOF-JSGCOSHPSA-N 1 0 215.296 1.648 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000381263182 710614515 /nfs/dbraw/zinc/61/45/15/710614515.db2.gz PUHPZCSLFIDVLA-MBNYWOFBSA-N 1 0 249.358 1.336 10 30 BDEERO C#CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723620472 711526324 /nfs/dbraw/zinc/52/63/24/711526324.db2.gz GWOBWTIALNTOHC-JHJVBQTASA-N 1 0 207.317 1.805 10 30 BDEERO Cc1nnc(N2CC[C@H](CC[NH3+])C2)c(C#N)c1C ZINC000723672173 711533438 /nfs/dbraw/zinc/53/34/38/711533438.db2.gz KCJICWPJJVGVDW-NSHDSACASA-N 1 0 245.330 1.140 10 30 BDEERO N#Cc1cccnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715131069 711537475 /nfs/dbraw/zinc/53/74/75/711537475.db2.gz ANRZUYNVJDHEDD-CZMCAQCFSA-N 1 0 202.261 1.102 10 30 BDEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721559716 711625062 /nfs/dbraw/zinc/62/50/62/711625062.db2.gz YEPWRCRQOCEERL-GXFFZTMASA-N 1 0 231.299 1.298 10 30 BDEERO CN(CCCCCC[NH3+])c1cccnc1C#N ZINC000710781487 712256738 /nfs/dbraw/zinc/25/67/38/712256738.db2.gz NPMQHHPWNCIXOO-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOC1CC1 ZINC000715028426 712504479 /nfs/dbraw/zinc/50/44/79/712504479.db2.gz ZPOLXYOKWZDXCV-ZYHUDNBSSA-N 1 0 208.305 1.837 10 30 BDEERO N#Cc1cccnc1NCC1CC([NH3+])C1 ZINC000715113107 712510097 /nfs/dbraw/zinc/51/00/97/712510097.db2.gz ANRZUYNVJDHEDD-UHFFFAOYSA-N 1 0 202.261 1.102 10 30 BDEERO Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)cc(C#N)n1 ZINC000715142425 712511789 /nfs/dbraw/zinc/51/17/89/712511789.db2.gz TVLJNVKBJYRUHL-MGCOHNPYSA-N 1 0 216.288 1.411 10 30 BDEERO N#Cc1sc(NC[C@H]2C[C@H]([NH3+])C2)nc1Cl ZINC000715133859 712513972 /nfs/dbraw/zinc/51/39/72/712513972.db2.gz JQGRRZYBPNSRQA-IZLXSQMJSA-N 1 0 242.735 1.817 10 30 BDEERO C[NH2+]CCN(c1ncccc1C#N)C(C)C ZINC000720792913 712866130 /nfs/dbraw/zinc/86/61/30/712866130.db2.gz ZEVCBNQBKBZRTF-UHFFFAOYSA-N 1 0 218.304 1.387 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235425191 343981685 /nfs/dbraw/zinc/98/16/85/343981685.db2.gz FOZYIXUFUYLTEX-KZVJFYERSA-N 1 0 201.360 1.573 10 30 BDEERO CCC(CC)C(=O)Nc1cccc(C#CC[NH3+])n1 ZINC000037552290 168340919 /nfs/dbraw/zinc/34/09/19/168340919.db2.gz PQSUFBIZDJIZGG-UHFFFAOYSA-N 1 0 245.326 1.767 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000320836414 342742070 /nfs/dbraw/zinc/74/20/70/342742070.db2.gz KQZWPPHGNYOJSU-VHSXEESVSA-N 1 0 244.342 1.980 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(C#N)ccn1 ZINC000320756206 342737697 /nfs/dbraw/zinc/73/76/97/342737697.db2.gz WNTKBWSKSWPKTP-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO Cc1cc(NC[C@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000399081413 398283042 /nfs/dbraw/zinc/28/30/42/398283042.db2.gz RZOSHVBESJVPBE-NSHDSACASA-N 1 0 230.315 1.095 10 30 BDEERO CCCNC(=[NH+]N)c1cccc(Cl)c1 ZINC000042036052 361927081 /nfs/dbraw/zinc/92/70/81/361927081.db2.gz BOQNUZNPOIOIBQ-UHFFFAOYSA-N 1 0 211.696 1.960 10 30 BDEERO N[NH+]=C(CC1CCSCC1)NC1CC1 ZINC000157748320 342888912 /nfs/dbraw/zinc/88/89/12/342888912.db2.gz GAYGFVASJSZHPU-UHFFFAOYSA-N 1 0 213.350 1.544 10 30 BDEERO CC1(C)CC[N@H+](C[C@H]2CO2)CCS1 ZINC000231043064 398322267 /nfs/dbraw/zinc/32/22/67/398322267.db2.gz JGGFVBUJFBLTMP-VIFPVBQESA-N 1 0 201.335 1.603 10 30 BDEERO C[C@@]1(C(=O)C2=CCCCO2)CCC[NH2+]C1 ZINC000167695794 346890358 /nfs/dbraw/zinc/89/03/58/346890358.db2.gz DGGXAUIYWZEEDX-GFCCVEGCSA-N 1 0 209.289 1.640 10 30 BDEERO N#C[C@@H]1CCC[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000602827822 349765636 /nfs/dbraw/zinc/76/56/36/349765636.db2.gz DLPRNGIATCNLBJ-UHTWSYAYSA-N 1 0 247.342 1.422 10 30 BDEERO O=CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000054238955 343422674 /nfs/dbraw/zinc/42/26/74/343422674.db2.gz FUHWJGFTPCXRSD-RYUDHWBXSA-N 1 0 211.305 1.201 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N1Cc2ccccc2C1 ZINC000053493190 166187794 /nfs/dbraw/zinc/18/77/94/166187794.db2.gz CXEGFESJUYISHB-GFCCVEGCSA-N 1 0 214.312 1.614 10 30 BDEERO CCOC(=O)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054828584 136373217 /nfs/dbraw/zinc/37/32/17/136373217.db2.gz LFJPIMONFLKVTC-ZJUUUORDSA-N 1 0 210.277 1.221 10 30 BDEERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC(C)(C)C#N ZINC000602931394 349822069 /nfs/dbraw/zinc/82/20/69/349822069.db2.gz UHQSMHUAMFSAHS-GHMZBOCLSA-N 1 0 210.321 1.771 10 30 BDEERO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000379806800 343630915 /nfs/dbraw/zinc/63/09/15/343630915.db2.gz OCKZVHXUCJHYBH-GRYCIOLGSA-N 1 0 210.321 1.629 10 30 BDEERO CC[N@H+](CCC#N)C[C@@H]1CCC[C@H](O)C1 ZINC000379823918 343634281 /nfs/dbraw/zinc/63/42/81/343634281.db2.gz VNSCFQRRRAYCPI-NEPJUHHUSA-N 1 0 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/nfs/dbraw/zinc/06/08/26/181060826.db2.gz FGLLNEWSARFUBY-NKWVEPMBSA-N 1 0 235.316 1.425 10 30 BDEERO N#C[C@H]1CCC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000061890682 181068426 /nfs/dbraw/zinc/06/84/26/181068426.db2.gz ANFYYGBXXUDRDD-NXEZZACHSA-N 1 0 221.304 1.066 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825988 181069285 /nfs/dbraw/zinc/06/92/85/181069285.db2.gz NFDKXEHFLOCQFJ-POOIEITISA-N 1 0 249.358 1.702 10 30 BDEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000036158266 181075116 /nfs/dbraw/zinc/07/51/16/181075116.db2.gz YZLUEXBZRRBQJQ-VIFPVBQESA-N 1 0 247.273 1.635 10 30 BDEERO N#C[C@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000061890474 181070129 /nfs/dbraw/zinc/07/01/29/181070129.db2.gz CXRNFZFADXPRDC-JHJVBQTASA-N 1 0 243.310 1.495 10 30 BDEERO N#Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1F ZINC000062116804 181089956 /nfs/dbraw/zinc/08/99/56/181089956.db2.gz HRIASQDIENJKLC-MRVPVSSYSA-N 1 0 233.246 1.245 10 30 BDEERO N#Cc1cc(NC(=O)CCC[NH3+])ccc1Cl ZINC000037018711 181090200 /nfs/dbraw/zinc/09/02/00/181090200.db2.gz WDSRKVPDHPTWLO-UHFFFAOYSA-N 1 0 237.690 1.889 10 30 BDEERO N#Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000051638386 181090264 /nfs/dbraw/zinc/09/02/64/181090264.db2.gz XGUVSZXVBSPLKT-SECBINFHSA-N 1 0 247.273 1.635 10 30 BDEERO N#Cc1cc(OC2CCC([NH3+])CC2)ccn1 ZINC000061813114 181092304 /nfs/dbraw/zinc/09/23/04/181092304.db2.gz IHCOERUHCKSROS-UHFFFAOYSA-N 1 0 217.272 1.602 10 30 BDEERO N#Cc1cc(OCC2CC[NH2+]CC2)ccn1 ZINC000061813086 181092339 /nfs/dbraw/zinc/09/23/39/181092339.db2.gz GZCHQHHGPOXFEG-UHFFFAOYSA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1ccc(NCCCN2CC[NH2+]CC2)cc1 ZINC000036301766 181121421 /nfs/dbraw/zinc/12/14/21/181121421.db2.gz BRDNWGWQWUWFMX-UHFFFAOYSA-N 1 0 244.342 1.265 10 30 BDEERO N#Cc1ccc(F)c(C[NH2+]CCCO)c1 ZINC000035186764 181112431 /nfs/dbraw/zinc/11/24/31/181112431.db2.gz SUYYQJCJYKOBFJ-UHFFFAOYSA-N 1 0 208.236 1.169 10 30 BDEERO N#Cc1ccc(NC(=O)CC[NH3+])cc1Cl ZINC000036964061 181118492 /nfs/dbraw/zinc/11/84/92/181118492.db2.gz HGOVOTXEONNLCM-UHFFFAOYSA-N 1 0 223.663 1.499 10 30 BDEERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038051023 181124403 /nfs/dbraw/zinc/12/44/03/181124403.db2.gz ZNAQZRKPWDCYSV-GHMZBOCLSA-N 1 0 216.288 1.635 10 30 BDEERO N#Cc1ccc([C@@H]([NH2+]CC2CC2)C(N)=O)cc1 ZINC000037947113 181130486 /nfs/dbraw/zinc/13/04/86/181130486.db2.gz BQUXPEJJSFCPSH-GFCCVEGCSA-N 1 0 229.283 1.084 10 30 BDEERO N#Cc1cccc2c1[C@@H](O)[C@@H]([NH3+])CCC2 ZINC000019795542 181144345 /nfs/dbraw/zinc/14/43/45/181144345.db2.gz RRXPVOTVQBERML-JQWIXIFHSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1N1CC[C@@H](C[NH3+])C1 ZINC000050249616 181148468 /nfs/dbraw/zinc/14/84/68/181148468.db2.gz AJGDOGUYJDGLMC-JTQLQIEISA-N 1 0 201.273 1.343 10 30 BDEERO N#Cc1cccnc1OC1CCC([NH3+])CC1 ZINC000055143391 181153980 /nfs/dbraw/zinc/15/39/80/181153980.db2.gz CZMXMRQHXNJAEN-UHFFFAOYSA-N 1 0 217.272 1.602 10 30 BDEERO N#Cc1cccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038051073 181152985 /nfs/dbraw/zinc/15/29/85/181152985.db2.gz ZKPAXABDKRGSBW-WDEREUQCSA-N 1 0 216.288 1.635 10 30 BDEERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000161195647 363391583 /nfs/dbraw/zinc/39/15/83/363391583.db2.gz SQQIIYQVEBZLJN-BXKDBHETSA-N 1 0 231.299 1.870 10 30 BDEERO N#Cc1cccnc1[S@](=O)C[C@H]1CCCC[NH2+]1 ZINC000095073467 181154739 /nfs/dbraw/zinc/15/47/39/181154739.db2.gz HETZIFPBQGMXCV-DIFFPNOSSA-N 1 0 249.339 1.203 10 30 BDEERO N#Cc1ccnc(NC[C@@H]2CC[NH2+]C2)c1Cl ZINC000236058001 181157726 /nfs/dbraw/zinc/15/77/26/181157726.db2.gz PSKXZTQKHYSVHM-MRVPVSSYSA-N 1 0 236.706 1.628 10 30 BDEERO Cc1cc(NCC[NH+](C)C)c(C#N)c(C)n1 ZINC000087975034 356382283 /nfs/dbraw/zinc/38/22/83/356382283.db2.gz UYXKWIYZXKOCDM-UHFFFAOYSA-N 1 0 218.304 1.544 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccncc2C#N)C1 ZINC000399382771 356484889 /nfs/dbraw/zinc/48/48/89/356484889.db2.gz ORUKMKHOZBIZSP-NSHDSACASA-N 1 0 216.288 1.094 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCC[C@H]1O ZINC000168283977 356714260 /nfs/dbraw/zinc/71/42/60/356714260.db2.gz QFJHCSKEWJNBPS-HTQZYQBOSA-N 1 0 220.110 1.398 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300024304 357172891 /nfs/dbraw/zinc/17/28/91/357172891.db2.gz FOZYIXUFUYLTEX-XGEHTFHBSA-N 1 0 201.360 1.573 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188997730 357589626 /nfs/dbraw/zinc/58/96/26/357589626.db2.gz BQAQDMHZAPQMCU-OUAUKWLOSA-N 1 0 228.311 1.547 10 30 BDEERO C[C@@H]1C(=O)NCCCN1Cc1ccccc1C#N ZINC000189095488 357604635 /nfs/dbraw/zinc/60/46/35/357604635.db2.gz DOZSYYPTQQPEJG-LLVKDONJSA-N 1 0 243.310 1.269 10 30 BDEERO C#CC(C)(C)N1CC[NH+](CC(C)C)CC1 ZINC000685950403 538893856 /nfs/dbraw/zinc/89/38/56/538893856.db2.gz OQWYFJBPDNBSEO-UHFFFAOYSA-N 1 0 208.349 1.672 10 30 BDEERO CN1CCC[N@H+](CC(C)(C)CCC#N)CC1=O ZINC000191665298 357781804 /nfs/dbraw/zinc/78/18/04/357781804.db2.gz POXQEWBNPQDHMJ-UHFFFAOYSA-N 1 0 237.347 1.480 10 30 BDEERO C[N@@H+]1CCC[C@H](COc2cc(N)ncc2C#N)C1 ZINC000584632711 358315427 /nfs/dbraw/zinc/31/54/27/358315427.db2.gz JSVUUCRCKFXXHG-JTQLQIEISA-N 1 0 246.314 1.086 10 30 BDEERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000044766541 358554103 /nfs/dbraw/zinc/55/41/03/358554103.db2.gz OGZQQFAHJKWSGP-GFCCVEGCSA-N 1 0 249.358 1.671 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000136275331 358871229 /nfs/dbraw/zinc/87/12/29/358871229.db2.gz HLPNFMPGLBUWLR-SGMGOOAPSA-N 1 0 249.358 1.621 10 30 BDEERO N#CCC[C@H](C#N)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246826646 359167807 /nfs/dbraw/zinc/16/78/07/359167807.db2.gz NXOJPIQTFJWBIH-ZIAGYGMSSA-N 1 0 246.358 1.600 10 30 BDEERO C[C@H]([NH3+])CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592206 359839998 /nfs/dbraw/zinc/83/99/98/359839998.db2.gz TXWVNVJBTDCPEU-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO CS[C@H]1CCC[N@H+](C[C@H]2CO2)CC1 ZINC000300835516 360531274 /nfs/dbraw/zinc/53/12/74/360531274.db2.gz LDIQKIFOHISWFX-UWVGGRQHSA-N 1 0 201.335 1.603 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)C1CCOCC1 ZINC000309527498 491150046 /nfs/dbraw/zinc/15/00/46/491150046.db2.gz CUYVSBYSVGEOLW-QWHCGFSZSA-N 1 0 227.348 1.718 10 30 BDEERO C=C[C@@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000139193252 361587733 /nfs/dbraw/zinc/58/77/33/361587733.db2.gz JHSOKBQGZOVJDH-SECBINFHSA-N 1 0 226.320 1.770 10 30 BDEERO [NH3+]CC#Cc1ccc(OCCn2cccn2)cc1 ZINC000049326292 181346740 /nfs/dbraw/zinc/34/67/40/181346740.db2.gz BGELYHLORMDJSL-UHFFFAOYSA-N 1 0 241.294 1.272 10 30 BDEERO [NH3+]CC#Cc1ccc(F)c(CN2CCCC2=O)c1 ZINC000049587772 181346949 /nfs/dbraw/zinc/34/69/49/181346949.db2.gz GDEHIVADXUBBDI-UHFFFAOYSA-N 1 0 246.285 1.258 10 30 BDEERO [NH3+]CC#Cc1cnc2c(F)cccc2c1 ZINC000068576120 181348496 /nfs/dbraw/zinc/34/84/96/181348496.db2.gz AWNPLOVOJXIBDT-UHFFFAOYSA-N 1 0 200.216 1.684 10 30 BDEERO CC[C@H]1CN(c2ncccc2C#N)CC[C@@H]1[NH3+] ZINC000122956785 368977125 /nfs/dbraw/zinc/97/71/25/368977125.db2.gz VVNPWXKBEAUPAI-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO COC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828513 369101179 /nfs/dbraw/zinc/10/11/79/369101179.db2.gz UTUIASWCCCAEIQ-UTUOFQBUSA-N 1 0 210.321 1.941 10 30 BDEERO Cc1ccc(C#N)c(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000600959053 369577718 /nfs/dbraw/zinc/57/77/18/369577718.db2.gz QYHBXHBJMOWBFB-ZDUSSCGKSA-N 1 0 244.342 1.969 10 30 BDEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000600958775 369576238 /nfs/dbraw/zinc/57/62/38/369576238.db2.gz KLYYIUSNMXXEAO-LLVKDONJSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@@H]1CC[C@H](Nc2cccnc2C#N)C[NH2+]1 ZINC000600954642 369576629 /nfs/dbraw/zinc/57/66/29/369576629.db2.gz FSUXCHAMZXSWDU-ZJUUUORDSA-N 1 0 216.288 1.506 10 30 BDEERO C[NH2+]CCOCCNc1ccc(C#N)cc1 ZINC000600951465 369574941 /nfs/dbraw/zinc/57/49/41/369574941.db2.gz JIGGBDJZMZQYRX-UHFFFAOYSA-N 1 0 219.288 1.206 10 30 BDEERO Cc1nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1C#N ZINC000600955262 369575395 /nfs/dbraw/zinc/57/53/95/369575395.db2.gz LJXCBSDMESQJSV-BXKDBHETSA-N 1 0 230.315 1.236 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955252 369578201 /nfs/dbraw/zinc/57/82/01/369578201.db2.gz KZZCVQDOZFBDBK-CABZTGNLSA-N 1 0 230.315 1.814 10 30 BDEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1 ZINC000600962292 369579232 /nfs/dbraw/zinc/57/92/32/369579232.db2.gz CXMRNUXXAAMOHP-UMSPYCQHSA-N 1 0 230.315 1.305 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1F ZINC000600962823 369580637 /nfs/dbraw/zinc/58/06/37/369580637.db2.gz NHXIPSBBAUQMDT-PSASIEDQSA-N 1 0 219.263 1.623 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000600962714 369580660 /nfs/dbraw/zinc/58/06/60/369580660.db2.gz KGMXNWGYRPJBRA-ONGXEEELSA-N 1 0 216.288 1.188 10 30 BDEERO CC[C@H]1CN(c2nccc(C)c2C#N)CC[C@H]1[NH3+] ZINC000251671716 369895677 /nfs/dbraw/zinc/89/56/77/369895677.db2.gz HMVGMTBENTVVCW-WCQYABFASA-N 1 0 244.342 1.825 10 30 BDEERO CC[C@H]1CN(c2cc(C#N)cc(C)n2)CC[C@H]1[NH3+] ZINC000253117295 370148806 /nfs/dbraw/zinc/14/88/06/370148806.db2.gz GMHCZDJLEQAPQU-QWHCGFSZSA-N 1 0 244.342 1.825 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ncccc1C#N ZINC000070010578 371002939 /nfs/dbraw/zinc/00/29/39/371002939.db2.gz OTPDMHCRJKQUQJ-SNVBAGLBSA-N 1 0 204.277 1.348 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1cnccn1 ZINC000389915286 371182031 /nfs/dbraw/zinc/18/20/31/371182031.db2.gz CRXPMOLCNBVMHW-PWSUYJOCSA-N 1 0 216.288 1.301 10 30 BDEERO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)CC[N@@H+]1C ZINC000156090068 371352842 /nfs/dbraw/zinc/35/28/42/371352842.db2.gz ZQOSDBGYQBCYOL-FDYHWXHSSA-N 1 0 221.348 1.751 10 30 BDEERO C[C@@H]([NH3+])CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131299823 371582732 /nfs/dbraw/zinc/58/27/32/371582732.db2.gz NXFCMEXOFVNAGZ-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO C=C(C)[C@H]([NH2+]C)[C@H]1CCCCS1(=O)=O ZINC000131399449 371599287 /nfs/dbraw/zinc/59/92/87/371599287.db2.gz SSYDSXKDPVQIAK-ZJUUUORDSA-N 1 0 217.334 1.118 10 30 BDEERO N#Cc1cc(NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000131787392 371673391 /nfs/dbraw/zinc/67/33/91/371673391.db2.gz IAVYPTIENWDAIW-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO C[C@H]1C[N@H+](CC2(CS)CC2)[C@@H](C)CO1 ZINC000227257633 371817292 /nfs/dbraw/zinc/81/72/92/371817292.db2.gz MSMMQYFVPTUVAB-UWVGGRQHSA-N 1 0 215.362 1.806 10 30 BDEERO C#CCNCc1occc1Br ZINC000227364109 371844746 /nfs/dbraw/zinc/84/47/46/371844746.db2.gz WUKHQWJZMWRPLZ-UHFFFAOYSA-N 1 0 214.062 1.765 10 30 BDEERO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000163170954 371943011 /nfs/dbraw/zinc/94/30/11/371943011.db2.gz BCGOCZLGXDNDPD-GHMZBOCLSA-N 1 0 223.320 1.185 10 30 BDEERO C#CC[NH2+][C@H](CC)CNC(=O)OC(C)(C)C ZINC000227727045 371927285 /nfs/dbraw/zinc/92/72/85/371927285.db2.gz DEVBOUDVESDNND-SNVBAGLBSA-N 1 0 226.320 1.513 10 30 BDEERO Cc1ccc(C#N)c(N(C)CCC[NH3+])n1 ZINC000227750344 371929444 /nfs/dbraw/zinc/92/94/44/371929444.db2.gz YQZLSJYYJCSRNO-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO N#Cc1ccc(NC(N)=[NH2+])cc1Br ZINC000307339424 372113052 /nfs/dbraw/zinc/11/30/52/372113052.db2.gz TTYLGHQXYORMET-UHFFFAOYSA-N 1 0 239.076 1.626 10 30 BDEERO C=CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000174609454 374248116 /nfs/dbraw/zinc/24/81/16/374248116.db2.gz WUERUKPCKXPSGV-VXGBXAGGSA-N 1 0 237.347 1.441 10 30 BDEERO CCC[N@H+](CCO)[C@H]1CCCC[C@@H]1C#N ZINC000042452720 169166661 /nfs/dbraw/zinc/16/66/61/169166661.db2.gz NWCUHUNXUNLBQR-NEPJUHHUSA-N 1 0 210.321 1.773 10 30 BDEERO CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000034938293 169262201 /nfs/dbraw/zinc/26/22/01/169262201.db2.gz NLOKQPFXFNTJSK-GFCCVEGCSA-N 1 0 234.299 1.298 10 30 BDEERO CCCNC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000037569782 169251473 /nfs/dbraw/zinc/25/14/73/169251473.db2.gz YVXRZECGDMWFCK-UHFFFAOYSA-N 1 0 234.274 1.276 10 30 BDEERO CCCN[C@@](C)(C#N)CC[N@H+](C)CCCOC ZINC000062034596 169283929 /nfs/dbraw/zinc/28/39/29/169283929.db2.gz HSXOSPZWVXHXAS-CYBMUJFWSA-N 1 0 241.379 1.627 10 30 BDEERO Cn1cc([C@@H]2CC[N@H+](CCCCC#N)C2)cn1 ZINC000116309989 384128497 /nfs/dbraw/zinc/12/84/97/384128497.db2.gz ZVENUDAMTZPIHT-GFCCVEGCSA-N 1 0 232.331 1.903 10 30 BDEERO CC[C@@H]([NH3+])CNc1nccc(C)c1C#N ZINC000135201687 384174808 /nfs/dbraw/zinc/17/48/08/384174808.db2.gz LKLOSMYKJDURFQ-SECBINFHSA-N 1 0 204.277 1.411 10 30 BDEERO N#Cc1ccc(C[NH2+]CC2CC(O)C2)s1 ZINC000135562685 384176395 /nfs/dbraw/zinc/17/63/95/384176395.db2.gz LUDAFRACBZFUOY-UHFFFAOYSA-N 1 0 222.313 1.480 10 30 BDEERO C[C@H](CC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000336668181 384252294 /nfs/dbraw/zinc/25/22/94/384252294.db2.gz QXLYRYBPQIIEPD-SSDOTTSWSA-N 1 0 225.242 1.986 10 30 BDEERO Cc1cnn(CC[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177697679 384347809 /nfs/dbraw/zinc/34/78/09/384347809.db2.gz DFHICWUJFQNDLO-UHFFFAOYSA-N 1 0 246.339 1.915 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000070916266 384465354 /nfs/dbraw/zinc/46/53/54/384465354.db2.gz YRQHIGUDIRDGRY-ZDUSSCGKSA-N 1 0 215.300 1.699 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000071140020 384655032 /nfs/dbraw/zinc/65/50/32/384655032.db2.gz VYYICPODOPVSMZ-NSHDSACASA-N 1 0 233.290 1.838 10 30 BDEERO C[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824965 384818107 /nfs/dbraw/zinc/81/81/07/384818107.db2.gz QMWPNMARDJEGSZ-DGCLKSJQSA-N 1 0 221.348 1.753 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1cccc(C#N)n1 ZINC000320708331 384834007 /nfs/dbraw/zinc/83/40/07/384834007.db2.gz PHTSAFYLKVKPQZ-DTWKUNHWSA-N 1 0 204.277 1.491 10 30 BDEERO C=CCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000310015709 384796177 /nfs/dbraw/zinc/79/61/77/384796177.db2.gz KVCBMDIQLPOXMI-SRVKXCTJSA-N 1 0 224.348 1.988 10 30 BDEERO C=CCN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000105838213 384805517 /nfs/dbraw/zinc/80/55/17/384805517.db2.gz AIGIQIKQEGUVRE-CYBMUJFWSA-N 1 0 226.364 1.605 10 30 BDEERO C[NH2+][C@H](CN1CCCC1)c1cccc(C#N)c1 ZINC000584598708 385465445 /nfs/dbraw/zinc/46/54/45/385465445.db2.gz CYUMOKWPRQMMJU-CQSZACIVSA-N 1 0 229.327 1.915 10 30 BDEERO C[NH2+][C@@H](CN1CCCC1)c1cccc(C#N)c1 ZINC000584598703 385465626 /nfs/dbraw/zinc/46/56/26/385465626.db2.gz CYUMOKWPRQMMJU-AWEZNQCLSA-N 1 0 229.327 1.915 10 30 BDEERO C[C@@H]1C[NH2+]C[C@@H](C)N1c1ccc(C#N)cc1 ZINC000211941256 385701783 /nfs/dbraw/zinc/70/17/83/385701783.db2.gz DIXQDTBBUNYSCN-GHMZBOCLSA-N 1 0 215.300 1.745 10 30 BDEERO C#CCNC(=[NH+]CC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261840948 533143273 /nfs/dbraw/zinc/14/32/73/533143273.db2.gz WEXZZZSEFHAKJP-STQMWFEESA-N 1 0 233.359 1.707 10 30 BDEERO COC(=O)[C@H]1CCN(CCC#N)C[C@H]1C ZINC000408311401 386036426 /nfs/dbraw/zinc/03/64/26/386036426.db2.gz YUFMCMHQXOPQDC-ZJUUUORDSA-N 1 0 210.277 1.031 10 30 BDEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408337256 386125949 /nfs/dbraw/zinc/12/59/49/386125949.db2.gz FNNLNAHHHIETJI-YVECIDJPSA-N 1 0 249.358 1.668 10 30 BDEERO C=CCC[C@@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000320307546 386299044 /nfs/dbraw/zinc/29/90/44/386299044.db2.gz UAEBUPKTLXFYQY-NEPJUHHUSA-N 1 0 212.337 1.045 10 30 BDEERO C[C@H]([NH2+]CCCSCC#N)[C@@H]1CCCO1 ZINC000183092311 386448150 /nfs/dbraw/zinc/44/81/50/386448150.db2.gz WZBCYTGISJRMKF-QWRGUYRKSA-N 1 0 228.361 1.790 10 30 BDEERO CCC[NH2+]CCNc1cc(C)ncc1C#N ZINC000399004397 386505069 /nfs/dbraw/zinc/50/50/69/386505069.db2.gz WBPRMXANVPQVIA-UHFFFAOYSA-N 1 0 218.304 1.095 10 30 BDEERO C=CC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944772 386510668 /nfs/dbraw/zinc/51/06/68/386510668.db2.gz IRAFEOGGOHEGFS-UHFFFAOYSA-N 1 0 228.299 1.758 10 30 BDEERO C[NH2+]C[C@H]1CCCN(c2cc(C)ncc2C#N)C1 ZINC000399010515 386549343 /nfs/dbraw/zinc/54/93/43/386549343.db2.gz XHBQYTFYPFDFDU-GFCCVEGCSA-N 1 0 244.342 1.698 10 30 BDEERO C#CC[N@@H+](C)[C@@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913212 386558257 /nfs/dbraw/zinc/55/82/57/386558257.db2.gz LNBLXTCAPJHGBK-LLVKDONJSA-N 1 0 231.295 1.520 10 30 BDEERO N#Cc1cnccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000399054570 386657169 /nfs/dbraw/zinc/65/71/69/386657169.db2.gz WUGYGFYEXOLOSO-UHTWSYAYSA-N 1 0 242.326 1.517 10 30 BDEERO CC#CC[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575481418 387188224 /nfs/dbraw/zinc/18/82/24/387188224.db2.gz FRXPZHXQVWYERX-MRVPVSSYSA-N 1 0 242.120 1.596 10 30 BDEERO N#CCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980057 387189473 /nfs/dbraw/zinc/18/94/73/387189473.db2.gz MSGUUSHTSHVNDG-ZDUSSCGKSA-N 1 0 237.347 1.087 10 30 BDEERO C[C@@H]1C[NH2+]CC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495989 387314919 /nfs/dbraw/zinc/31/49/19/387314919.db2.gz CITFZUNAEOPEBA-BXKDBHETSA-N 1 0 239.319 1.403 10 30 BDEERO C[C@@H]1CCSC(NCC2CSC2)=[NH+]1 ZINC000575487092 387255044 /nfs/dbraw/zinc/25/50/44/387255044.db2.gz KMLKUGQZRZQKMV-SSDOTTSWSA-N 1 0 216.375 1.820 10 30 BDEERO N#Cc1ccc(O[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC000263619427 387273933 /nfs/dbraw/zinc/27/39/33/387273933.db2.gz YPULTNFCCDTPKQ-XYPYZODXSA-N 1 0 217.272 1.602 10 30 BDEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000392918147 387303903 /nfs/dbraw/zinc/30/39/03/387303903.db2.gz WQABWQRMGIDULR-WDEREUQCSA-N 1 0 237.347 1.573 10 30 BDEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1C#N ZINC000295058779 387834416 /nfs/dbraw/zinc/83/44/16/387834416.db2.gz QCDKMGHSSRWXOA-SMDDNHRTSA-N 1 0 230.311 1.903 10 30 BDEERO C#CC[NH2+]Cc1cccc(OC)c1OCC ZINC000045945302 388003509 /nfs/dbraw/zinc/00/35/09/388003509.db2.gz NTEHLAPKKRFRJV-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO C=C(C)C[N@@H+](C)C[C@H](O)COCCCC ZINC000195215585 388145805 /nfs/dbraw/zinc/14/58/05/388145805.db2.gz WTVYSEDVLQOYHF-LBPRGKRZSA-N 1 0 215.337 1.672 10 30 BDEERO [NH3+]CC#Cc1ccc(F)c(Cl)c1F ZINC000575518245 388355266 /nfs/dbraw/zinc/35/52/66/388355266.db2.gz RWJKFTZVDWHJCJ-UHFFFAOYSA-N 1 0 201.603 1.928 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236139487 388378472 /nfs/dbraw/zinc/37/84/72/388378472.db2.gz JSMHYEIFCUUFOT-BDAKNGLRSA-N 1 0 218.247 1.550 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)nc1 ZINC000122680161 388402475 /nfs/dbraw/zinc/40/24/75/388402475.db2.gz ODZJROPHDKNPDO-LLVKDONJSA-N 1 0 204.277 1.348 10 30 BDEERO CC#CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000136009479 388518695 /nfs/dbraw/zinc/51/86/95/388518695.db2.gz TZZBPVVKNZEGPX-LBPRGKRZSA-N 1 0 237.347 1.135 10 30 BDEERO C=CCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000187157831 388605847 /nfs/dbraw/zinc/60/58/47/388605847.db2.gz HMIWVVGFXHCCJG-RYUDHWBXSA-N 1 0 239.363 1.543 10 30 BDEERO Cc1cc(C#N)nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000231942945 177730138 /nfs/dbraw/zinc/73/01/38/177730138.db2.gz QZIHFILBBBLOMJ-SKDRFNHKSA-N 1 0 245.330 1.220 10 30 BDEERO CN(C[C@@H]1CCCC[NH2+]1)c1ncccc1C#N ZINC000095070810 388758011 /nfs/dbraw/zinc/75/80/11/388758011.db2.gz QCGYYQQVWNBHJO-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262841498 533510723 /nfs/dbraw/zinc/51/07/23/533510723.db2.gz UOVIDDPFNDKERG-LLVKDONJSA-N 1 0 237.347 1.284 10 30 BDEERO C=C(C)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116312575 533512678 /nfs/dbraw/zinc/51/26/78/533512678.db2.gz RSWRBZRWMWTHIP-LLVKDONJSA-N 1 0 205.305 1.786 10 30 BDEERO C[C@H]1CCCN(c2ccc(C#N)nc2)[C@@H]1C[NH3+] ZINC000129892530 132233681 /nfs/dbraw/zinc/23/36/81/132233681.db2.gz GSDOPNQHVZUAQL-GXFFZTMASA-N 1 0 230.315 1.517 10 30 BDEERO C[C@@H]1CN(c2ccnc(C#N)c2)C[C@@H](C)[NH2+]1 ZINC000061811531 132387240 /nfs/dbraw/zinc/38/72/40/132387240.db2.gz MRKRCVPIBJTTHN-NXEZZACHSA-N 1 0 216.288 1.140 10 30 BDEERO N#Cc1cc(N2CCC[C@H](C[NH3+])C2)ccn1 ZINC000061812531 132387138 /nfs/dbraw/zinc/38/71/38/132387138.db2.gz KUEHNBYIKDHLEA-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO C[C@H]1CN(c2cccc(F)c2C#N)C[C@H](C)[NH2+]1 ZINC000070078773 132391499 /nfs/dbraw/zinc/39/14/99/132391499.db2.gz MXHJYHLROUNOJU-UWVGGRQHSA-N 1 0 233.290 1.884 10 30 BDEERO C=CCNC(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202355 134161730 /nfs/dbraw/zinc/16/17/30/134161730.db2.gz OSWHYUVSFSBYGO-GFCCVEGCSA-N 1 0 248.330 1.239 10 30 BDEERO C[NH+]=C(NCc1cc(C)no1)N[C@H](C)C(C)C ZINC000171616127 134257143 /nfs/dbraw/zinc/25/71/43/134257143.db2.gz TVSKORYXQRSEOP-SNVBAGLBSA-N 1 0 238.335 1.693 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000221959483 134326780 /nfs/dbraw/zinc/32/67/80/134326780.db2.gz SOZFZFSDAYCWHP-BXKDBHETSA-N 1 0 234.274 1.964 10 30 BDEERO N#Cc1cccc(C[N@H+]2CC[C@H](CCO)C2)c1 ZINC000227570058 134383394 /nfs/dbraw/zinc/38/33/94/134383394.db2.gz YAKQVEZJRLWEDV-GFCCVEGCSA-N 1 0 230.311 1.763 10 30 BDEERO C=CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000188801281 134537437 /nfs/dbraw/zinc/53/74/37/134537437.db2.gz UJUFQPGAXXRPTA-NEPJUHHUSA-N 1 0 225.332 1.736 10 30 BDEERO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCNC1=O ZINC000336679079 134899283 /nfs/dbraw/zinc/89/92/83/134899283.db2.gz CHVQMEGKKRCIOF-VXGBXAGGSA-N 1 0 224.348 1.990 10 30 BDEERO C=CCCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000163702721 135072352 /nfs/dbraw/zinc/07/23/52/135072352.db2.gz DLGQQVOQXBLKIN-ZDUSSCGKSA-N 1 0 224.348 1.943 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C#N)CCC1 ZINC000252661846 135094643 /nfs/dbraw/zinc/09/46/43/135094643.db2.gz QGUDIUAXXCJCOD-NEPJUHHUSA-N 1 0 247.342 1.375 10 30 BDEERO C[C@H]1CCN(c2ccc(C#N)nc2)[C@H](C[NH3+])C1 ZINC000261540338 135179271 /nfs/dbraw/zinc/17/92/71/135179271.db2.gz GFAIPFTZQUOYOP-GWCFXTLKSA-N 1 0 230.315 1.517 10 30 BDEERO CC1(C)CN(c2cccnc2C#N)CC[C@H]1[NH3+] ZINC000261552565 135191050 /nfs/dbraw/zinc/19/10/50/135191050.db2.gz NBFMIVPJCABALE-GFCCVEGCSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1C[NH+]=C(NCC(C)(C)c2ccccc2)N1 ZINC000261559764 135200167 /nfs/dbraw/zinc/20/01/67/135200167.db2.gz UAUISWHLYDHGEY-NSHDSACASA-N 1 0 231.343 1.902 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)C[C@H]1CCOC1 ZINC000261658552 135243612 /nfs/dbraw/zinc/24/36/12/135243612.db2.gz NPKJBSKCESTTJZ-GHMZBOCLSA-N 1 0 239.363 1.329 10 30 BDEERO Cc1cc(CNC(=[NH2+])NCC2CCC2)nc(C)n1 ZINC000261691604 135246152 /nfs/dbraw/zinc/24/61/52/135246152.db2.gz BGTATCWGFJRNLM-UHFFFAOYSA-N 1 0 247.346 1.298 10 30 BDEERO C[NH+]=C(NC1CC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261731866 135248182 /nfs/dbraw/zinc/24/81/82/135248182.db2.gz LOCOTIZRCIURNJ-QWRGUYRKSA-N 1 0 221.348 1.846 10 30 BDEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)Cc1cccn1C ZINC000261962068 135267153 /nfs/dbraw/zinc/26/71/53/135267153.db2.gz KKBCLVNMKNOWCQ-GFCCVEGCSA-N 1 0 248.374 1.831 10 30 BDEERO C=C(Cl)CNC(N[C@@H]1CCC[C@H]1C#N)=[NH+]C ZINC000262346472 135294818 /nfs/dbraw/zinc/29/48/18/135294818.db2.gz DLCNXBFLIJYHDP-VHSXEESVSA-N 1 0 240.738 1.596 10 30 BDEERO C[C@H]1C[NH+]=C(NCc2ccc3cc[nH]c3n2)N1 ZINC000262396742 135298411 /nfs/dbraw/zinc/29/84/11/135298411.db2.gz SYSBLYSJQXJUIF-QMMMGPOBSA-N 1 0 229.287 1.000 10 30 BDEERO CN(C(=[NH2+])N[C@@H]1COc2ccc(F)cc21)C1CC1 ZINC000262471641 135301120 /nfs/dbraw/zinc/30/11/20/135301120.db2.gz ZDSQWIJPVLSNIC-LLVKDONJSA-N 1 0 249.289 1.668 10 30 BDEERO C[C@H]1C[NH+]=C(N[C@@H]2CCC23CCCC3)N1 ZINC000262647981 135311406 /nfs/dbraw/zinc/31/14/06/135311406.db2.gz JOSRKHIBVLRYQT-VHSXEESVSA-N 1 0 207.321 1.647 10 30 BDEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)NC1CCCCC1 ZINC000262788062 135318471 /nfs/dbraw/zinc/31/84/71/135318471.db2.gz JZGZRALADJXADF-IUCAKERBSA-N 1 0 231.290 1.877 10 30 BDEERO [NH2+]=C(N[C@H]1CCC12CCCC2)N1CCC1 ZINC000263069599 135330697 /nfs/dbraw/zinc/33/06/97/135330697.db2.gz GMVBXXITDZZPGM-JTQLQIEISA-N 1 0 207.321 1.730 10 30 BDEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CC12CC2 ZINC000263190337 135338641 /nfs/dbraw/zinc/33/86/41/135338641.db2.gz VONYXUOFCGPGLG-JTQLQIEISA-N 1 0 249.383 1.995 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc(F)cc1C#N ZINC000082579456 397955806 /nfs/dbraw/zinc/95/58/06/397955806.db2.gz GQCPNKMSOZBXON-SNVBAGLBSA-N 1 0 207.252 1.847 10 30 BDEERO CC(C)NC(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000037552760 167077591 /nfs/dbraw/zinc/07/75/91/167077591.db2.gz WOFPFERBAFQVDR-UHFFFAOYSA-N 1 0 231.299 1.527 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000058790310 166182728 /nfs/dbraw/zinc/18/27/28/166182728.db2.gz WSXBXKXVLAUFDT-OTTFEQOBSA-N 1 0 236.359 1.540 10 30 BDEERO C#CC[NH2+]CCn1nc(C)c(Cl)c1C ZINC000053536475 166187685 /nfs/dbraw/zinc/18/76/85/166187685.db2.gz LYDLMQNFBXHZJX-UHFFFAOYSA-N 1 0 211.696 1.376 10 30 BDEERO C#CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019875554 166191261 /nfs/dbraw/zinc/19/12/61/166191261.db2.gz VYESVILGMFLVMJ-NSHDSACASA-N 1 0 203.285 1.936 10 30 BDEERO C#CCOc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042875002 166197612 /nfs/dbraw/zinc/19/76/12/166197612.db2.gz KACSPQXBKQGUIG-UHFFFAOYSA-N 1 0 245.278 1.679 10 30 BDEERO C#CCOc1ccc(C[NH2+]C2CC2)cc1OC ZINC000037704504 166198633 /nfs/dbraw/zinc/19/86/33/166198633.db2.gz CJURLKVFCHJNBV-UHFFFAOYSA-N 1 0 231.295 1.959 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H](C)C[NH2+]CC)c1 ZINC000061228437 166222422 /nfs/dbraw/zinc/22/24/22/166222422.db2.gz BDVAGOBMVNFMDA-NSHDSACASA-N 1 0 230.311 1.852 10 30 BDEERO C=CCN(C(=O)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000062115107 166310805 /nfs/dbraw/zinc/31/08/05/166310805.db2.gz HOZLTNISGPVUQO-LLVKDONJSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000019516107 166333286 /nfs/dbraw/zinc/33/32/86/166333286.db2.gz ZCLMJZQYRQAMKF-CYBMUJFWSA-N 1 0 230.311 1.887 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccccc1 ZINC000076609442 166389799 /nfs/dbraw/zinc/38/97/99/166389799.db2.gz BVUAWORUAIVORQ-GFCCVEGCSA-N 1 0 218.300 1.421 10 30 BDEERO C=CC[NH2+]CC(=O)Cc1ccccc1OC ZINC000077009010 166398909 /nfs/dbraw/zinc/39/89/09/166398909.db2.gz WPLWDLDAJPKAGD-UHFFFAOYSA-N 1 0 219.284 1.582 10 30 BDEERO CC(C)[N@H+]1C[C@H](NCc2ccc(C#N)o2)[C@@H](C)C1 ZINC000154076319 167033865 /nfs/dbraw/zinc/03/38/65/167033865.db2.gz RERNFKFZCDBLHS-FZMZJTMJSA-N 1 0 247.342 1.970 10 30 BDEERO CC(C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000037569834 167086017 /nfs/dbraw/zinc/08/60/17/167086017.db2.gz JRVXKFRHABWTLD-UHFFFAOYSA-N 1 0 234.274 1.274 10 30 BDEERO CC(C)NC1(C#N)CC[NH+](C(C)C)CC1 ZINC000034973838 167093077 /nfs/dbraw/zinc/09/30/77/167093077.db2.gz IBWLVRLYBKPNMN-UHFFFAOYSA-N 1 0 209.337 1.751 10 30 BDEERO CC(C)[NH2+]CCCC(=O)N(CCC#N)C(C)C ZINC000037633470 167100864 /nfs/dbraw/zinc/10/08/64/167100864.db2.gz GJAXXYZVQAJMFH-UHFFFAOYSA-N 1 0 239.363 1.915 10 30 BDEERO CC(C)[C@@H](C[NH+](C)C)NC(=O)C(C)(C)C#N ZINC000044752705 167394946 /nfs/dbraw/zinc/39/49/46/167394946.db2.gz QMPVMQSXTKRUFR-SNVBAGLBSA-N 1 0 225.336 1.239 10 30 BDEERO CCC(C)(C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629234 168297834 /nfs/dbraw/zinc/29/78/34/168297834.db2.gz NPFYUXAFLCZBDN-UHFFFAOYSA-N 1 0 245.326 1.310 10 30 BDEERO CC[N@@H+]1CC[C@@H](CNc2c(C#N)c(C)nn2C)C1 ZINC000104425018 170010281 /nfs/dbraw/zinc/01/02/81/170010281.db2.gz MIPXHGHJMHURDH-NSHDSACASA-N 1 0 247.346 1.354 10 30 BDEERO CC[N@@H+]1CC[C@H](CNc2c(C#N)c(C)nn2C)C1 ZINC000104425013 170015989 /nfs/dbraw/zinc/01/59/89/170015989.db2.gz MIPXHGHJMHURDH-LLVKDONJSA-N 1 0 247.346 1.354 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C#N)cc1 ZINC000061287644 170107532 /nfs/dbraw/zinc/10/75/32/170107532.db2.gz RWQYYNLMVCKPKY-UHFFFAOYSA-N 1 0 231.299 1.885 10 30 BDEERO CCN[C@](C)(C#N)CCC[N@H+](C)CCN(C)C ZINC000104191195 170169436 /nfs/dbraw/zinc/16/94/36/170169436.db2.gz WNGXEKIYIZMGOZ-ZDUSSCGKSA-N 1 0 240.395 1.152 10 30 BDEERO CC[C@@H](CC#N)NC(=O)C1([NH3+])CCCCC1 ZINC000054180004 170810838 /nfs/dbraw/zinc/81/08/38/170810838.db2.gz WUPHRSUBADBRSA-JTQLQIEISA-N 1 0 223.320 1.456 10 30 BDEERO CC[C@@H]([NH3+])Cc1ccc(OCC#N)c(OC)c1 ZINC000037727339 170865948 /nfs/dbraw/zinc/86/59/48/170865948.db2.gz HSOAGOAZCKOCGQ-LLVKDONJSA-N 1 0 234.299 1.877 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000011960826 171396901 /nfs/dbraw/zinc/39/69/01/171396901.db2.gz BRJMVGUYUNOWQS-CABZTGNLSA-N 1 0 231.299 1.870 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCC)C1 ZINC000662634703 412251649 /nfs/dbraw/zinc/25/16/49/412251649.db2.gz IFZMOCKZIYIAOQ-RYUDHWBXSA-N 1 0 224.348 1.929 10 30 BDEERO C=CCN(C(=O)C[C@H]([NH3+])C(C)C)[C@@H](C)COC ZINC000662855184 412325874 /nfs/dbraw/zinc/32/58/74/412325874.db2.gz RBYQWNQDTACDIQ-RYUDHWBXSA-N 1 0 242.363 1.409 10 30 BDEERO CN(C(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062905008 172336028 /nfs/dbraw/zinc/33/60/28/172336028.db2.gz RHKQAQHMEFMVBK-CQSZACIVSA-N 1 0 243.310 1.521 10 30 BDEERO CN(C)C=C1CCCC(C(=O)C(F)(F)F)=C1O ZINC000043463780 172350852 /nfs/dbraw/zinc/35/08/52/172350852.db2.gz KPSZUCBQAYFOAY-CZEYKFRCSA-N 1 0 249.232 1.933 10 30 BDEERO C[NH+](C)CCCC(=O)Nc1ccc(C#N)cc1 ZINC000019846967 172427578 /nfs/dbraw/zinc/42/75/78/172427578.db2.gz ULSZRYZKWLEPBT-UHFFFAOYSA-N 1 0 231.299 1.839 10 30 BDEERO CN(CCC#N)C(=O)c1ccc(C[NH3+])cc1 ZINC000019833504 172665365 /nfs/dbraw/zinc/66/53/65/172665365.db2.gz XNILCIQSFZCLHE-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO CN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000104358741 172847243 /nfs/dbraw/zinc/84/72/43/172847243.db2.gz IBXGPCMXLWQLCB-CYBMUJFWSA-N 1 0 247.317 1.881 10 30 BDEERO CN(c1ccc(F)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000104246204 172947252 /nfs/dbraw/zinc/94/72/52/172947252.db2.gz YGBSYRWDGIGDDQ-LBPRGKRZSA-N 1 0 233.290 1.886 10 30 BDEERO C[NH+]1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824966 172997418 /nfs/dbraw/zinc/99/74/18/172997418.db2.gz QMWPNMARDJEGSZ-YPMHNXCESA-N 1 0 221.348 1.753 10 30 BDEERO C[N@@H+]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000040673554 173020567 /nfs/dbraw/zinc/02/05/67/173020567.db2.gz PHVGWTICQOLSBA-LLVKDONJSA-N 1 0 216.288 1.459 10 30 BDEERO C[N@@H+]1CCN(C[C@@H]2CO2)[C@H](c2ccccc2)C1 ZINC000036994114 173084992 /nfs/dbraw/zinc/08/49/92/173084992.db2.gz HBKDJKJCXUSLEF-KGLIPLIRSA-N 1 0 232.327 1.374 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCCC1 ZINC000071190154 173112969 /nfs/dbraw/zinc/11/29/69/173112969.db2.gz LAAIAQVOSVCXHL-GFCCVEGCSA-N 1 0 249.358 1.480 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(C#N)n1 ZINC000081619607 173142872 /nfs/dbraw/zinc/14/28/72/173142872.db2.gz DCPMYZIIVVBLLP-NSHDSACASA-N 1 0 230.315 1.341 10 30 BDEERO C[NH2+]C[C@@H](C)Oc1cccc(F)c1C#N ZINC000051867552 173364968 /nfs/dbraw/zinc/36/49/68/173364968.db2.gz HBMINEYIRMAHSG-MRVPVSSYSA-N 1 0 208.236 1.684 10 30 BDEERO COCCCOCc1ccccc1C#CC[NH3+] ZINC000049610296 174255208 /nfs/dbraw/zinc/25/52/08/174255208.db2.gz UYPTXIKXCOTYGA-UHFFFAOYSA-N 1 0 233.311 1.550 10 30 BDEERO COc1cccc([C@H](C[NH3+])N(C)C[C@H](C)C#N)c1 ZINC000043028247 175294157 /nfs/dbraw/zinc/29/41/57/175294157.db2.gz PWXOLOBBEKANAN-RISCZKNCSA-N 1 0 247.342 1.786 10 30 BDEERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CCC#N ZINC000043096988 175354205 /nfs/dbraw/zinc/35/42/05/175354205.db2.gz ODRZCZFEMBBZFN-RISCZKNCSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)cc1F ZINC000308902907 175673710 /nfs/dbraw/zinc/67/37/10/175673710.db2.gz KQBLMTQNVSZLTK-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO C[C@@H]([NH3+])C(=O)Nc1ccc(CC#N)cc1 ZINC000035222944 175799517 /nfs/dbraw/zinc/79/95/17/175799517.db2.gz SLIDFTPOIRRPNE-MRVPVSSYSA-N 1 0 203.245 1.038 10 30 BDEERO C[C@@H]1CCCN1C(=O)c1sccc1C#CC[NH3+] ZINC000104300340 176107586 /nfs/dbraw/zinc/10/75/86/176107586.db2.gz MKOYHPYIMBSGMS-SNVBAGLBSA-N 1 0 248.351 1.683 10 30 BDEERO C[C@@H]1CCC[C@](CNCC#N)([NH+](C)C)C1 ZINC000040669723 176152037 /nfs/dbraw/zinc/15/20/37/176152037.db2.gz WOZMQFZBFIONRP-NEPJUHHUSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000251569540 176319365 /nfs/dbraw/zinc/31/93/65/176319365.db2.gz BYEAYEKBEUJWRZ-BXUZGUMPSA-N 1 0 229.327 1.945 10 30 BDEERO C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000123994927 176319635 /nfs/dbraw/zinc/31/96/35/176319635.db2.gz DWBVJLBZUNWATD-PWSUYJOCSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1C[NH2+]CCN1CC#Cc1ccccc1 ZINC000054374530 176326820 /nfs/dbraw/zinc/32/68/20/176326820.db2.gz MUCITOIZNVUEJK-CYBMUJFWSA-N 1 0 214.312 1.332 10 30 BDEERO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037823291 176551985 /nfs/dbraw/zinc/55/19/85/176551985.db2.gz ZQDVIVHXZNQMDR-VOAKCMCISA-N 1 0 249.358 1.525 10 30 BDEERO C[C@H](CCC[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000076614358 176619824 /nfs/dbraw/zinc/61/98/24/176619824.db2.gz DRDVKZYBBDTWDV-SNVBAGLBSA-N 1 0 231.299 1.872 10 30 BDEERO C[C@H](C[NH3+])Nc1ccc(Cl)cc1C#N ZINC000082576282 176662060 /nfs/dbraw/zinc/66/20/60/176662060.db2.gz GDUYRQGWRPMQOV-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C(N)=O ZINC000037749474 176684049 /nfs/dbraw/zinc/68/40/49/176684049.db2.gz JPFFNDILWMVLJO-NXEZZACHSA-N 1 0 231.299 1.330 10 30 BDEERO C[C@H](c1cccc(C#N)c1)N1CC[NH2+]CC1 ZINC000069637399 177035795 /nfs/dbraw/zinc/03/57/95/177035795.db2.gz JMZITBZHHYXLPQ-LLVKDONJSA-N 1 0 215.300 1.524 10 30 BDEERO C[C@H]1CCCC[C@]1(C#N)N1CC[NH2+]CC1 ZINC000019406956 177090480 /nfs/dbraw/zinc/09/04/80/177090480.db2.gz OZTYRGWEZGSPMH-NWDGAFQWSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@H]1CCCN1C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629561 177108793 /nfs/dbraw/zinc/10/87/93/177108793.db2.gz BUPSJRFCODIWCR-NSHDSACASA-N 1 0 243.310 1.016 10 30 BDEERO C[C@H]1CN(Cc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049608492 177262604 /nfs/dbraw/zinc/26/26/04/177262604.db2.gz RNHWRCPATUTJLU-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@@H]1C[C@H](C)C[N@@H+](CCC/C(N)=N/O)C1 ZINC000019423928 177313100 /nfs/dbraw/zinc/31/31/00/177313100.db2.gz JANWEQOGCZETPL-AOOOYVTPSA-N 1 0 213.325 1.491 10 30 BDEERO C[C@H]1C[C@H](Nc2nccc(C#N)n2)C[N@@H+]1C1CC1 ZINC000297612459 177372394 /nfs/dbraw/zinc/37/23/94/177372394.db2.gz VRLJUTWZZZVJGD-ONGXEEELSA-N 1 0 243.314 1.385 10 30 BDEERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000395865349 262793208 /nfs/dbraw/zinc/79/32/08/262793208.db2.gz WHSIAEXOSOWMDL-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000399457837 267340634 /nfs/dbraw/zinc/34/06/34/267340634.db2.gz UHKAGLYYOITSAR-YGRLFVJLSA-N 1 0 244.342 1.648 10 30 BDEERO C=CCN(CC=C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128880322 487875219 /nfs/dbraw/zinc/87/52/19/487875219.db2.gz YTZBKBSWYYEYNJ-LLVKDONJSA-N 1 0 210.321 1.560 10 30 BDEERO CC(C)[NH2+]CCCNc1cncc(C#N)n1 ZINC000571327376 323141566 /nfs/dbraw/zinc/14/15/66/323141566.db2.gz WUCUUEDRXGIBCX-UHFFFAOYSA-N 1 0 219.292 1.148 10 30 BDEERO CCC[C@@H](C(=O)N1CCC(C#N)CC1)[NH+](C)C ZINC000126536770 324702818 /nfs/dbraw/zinc/70/28/18/324702818.db2.gz IPJBGGCRMJSMBH-LBPRGKRZSA-N 1 0 237.347 1.479 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000394453903 487537745 /nfs/dbraw/zinc/53/77/45/487537745.db2.gz IGCWNZQKILTRQE-SFYZADRCSA-N 1 0 234.259 1.614 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000382574648 487546767 /nfs/dbraw/zinc/54/67/67/487546767.db2.gz BQPPZDWHHOLHPY-NEPJUHHUSA-N 1 0 222.332 1.683 10 30 BDEERO N#Cc1ccncc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252501236 490275081 /nfs/dbraw/zinc/27/50/81/490275081.db2.gz BGHPECJUNTYUPG-LBPRGKRZSA-N 1 0 228.299 1.238 10 30 BDEERO C=CCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170682277 534607118 /nfs/dbraw/zinc/60/71/18/534607118.db2.gz LJIUKIAHRGJMCG-GFCCVEGCSA-N 1 0 222.332 1.649 10 30 BDEERO C=CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113575476 534861059 /nfs/dbraw/zinc/86/10/59/534861059.db2.gz CUMHAUSPKWRCQN-WDEREUQCSA-N 1 0 223.320 1.051 10 30 BDEERO C[C@H](Oc1ccccc1C=NO)C1=[NH+]CCN1 ZINC000242538740 525960310 /nfs/dbraw/zinc/96/03/10/525960310.db2.gz JDVBCCBWSXJBJH-VIFPVBQESA-N 1 0 233.271 1.264 10 30 BDEERO N#Cc1c(-c2cccc(O)c2)c[nH]c1NC=[NH2+] ZINC000090587438 526516006 /nfs/dbraw/zinc/51/60/06/526516006.db2.gz SLQSTHIRPGOYKO-UHFFFAOYSA-N 1 0 226.239 1.877 10 30 BDEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373068984 534981360 /nfs/dbraw/zinc/98/13/60/534981360.db2.gz HSKYZUVQKIOVRO-NEPJUHHUSA-N 1 0 240.347 1.134 10 30 BDEERO C[NH+]=C(NC[C@H]1CC12CCOCC2)NC1CC1 ZINC000262809666 536304335 /nfs/dbraw/zinc/30/43/35/536304335.db2.gz NWCVRUQWOZLKGT-SNVBAGLBSA-N 1 0 237.347 1.131 10 30 BDEERO C#CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000223566407 582786000 /nfs/dbraw/zinc/78/60/00/582786000.db2.gz MJOHISXTOLHZCN-KBPBESRZSA-N 1 0 220.360 1.958 10 30 BDEERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000312978606 634427251 /nfs/dbraw/zinc/42/72/51/634427251.db2.gz FRHOQPNNBNKDAO-AXFHLTTASA-N 1 0 208.305 1.693 10 30 BDEERO COC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC000234677679 631660684 /nfs/dbraw/zinc/66/06/84/631660684.db2.gz OINLVRLFYMEHHU-UHFFFAOYSA-N 1 0 215.296 1.805 10 30 BDEERO C[C@H]1[C@H]([NH3+])CCN1c1nc(Cl)c(C#N)s1 ZINC000309035845 631807235 /nfs/dbraw/zinc/80/72/35/631807235.db2.gz FWOJRDONZFIQRO-NTSWFWBYSA-N 1 0 242.735 1.594 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000307029306 631914190 /nfs/dbraw/zinc/91/41/90/631914190.db2.gz JCIMPXKFBYPVAT-UHNVWZDZSA-N 1 0 230.724 1.816 10 30 BDEERO N#Cc1sc(NCC2([NH3+])CCC2)nc1Cl ZINC000236195860 632896434 /nfs/dbraw/zinc/89/64/34/632896434.db2.gz FQRDDUXWALJHGP-UHFFFAOYSA-N 1 0 242.735 1.961 10 30 BDEERO N#CC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000309293024 632897568 /nfs/dbraw/zinc/89/75/68/632897568.db2.gz QSMNTCZGHFVFBK-STQMWFEESA-N 1 0 222.332 1.773 10 30 BDEERO C[C@H]([NH3+])CN(C)c1nc2c(cc1C#N)CCCC2 ZINC000311017062 634202647 /nfs/dbraw/zinc/20/26/47/634202647.db2.gz NGMJMYNAZOLTTL-JTQLQIEISA-N 1 0 244.342 1.615 10 30 BDEERO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C#N)CCC3)C[C@H]2C1 ZINC000310813295 636537994 /nfs/dbraw/zinc/53/79/94/636537994.db2.gz IQCWVHATKLNUAU-VXGBXAGGSA-N 1 0 247.342 1.090 10 30 BDEERO N#Cc1ccc(COC2C[NH2+]C2)c(Cl)c1 ZINC000169038968 636654617 /nfs/dbraw/zinc/65/46/17/636654617.db2.gz LOBNNLYQGNHFGN-UHFFFAOYSA-N 1 0 222.675 1.700 10 30 BDEERO CCN(c1ccc(F)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000111027603 636917014 /nfs/dbraw/zinc/91/70/14/636917014.db2.gz PIEDJDYDBHPFES-GFCCVEGCSA-N 1 0 233.290 1.886 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)cc1F ZINC000228598316 640884165 /nfs/dbraw/zinc/88/41/65/640884165.db2.gz PXBFHPSUYDIDFL-UHFFFAOYSA-N 1 0 207.248 1.947 10 30 BDEERO C#CCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000192151357 641967329 /nfs/dbraw/zinc/96/73/29/641967329.db2.gz YFRQMAHTWDWOMN-OLZOCXBDSA-N 1 0 236.359 1.635 10 30 BDEERO CCN(c1cccc(F)c1C#N)[C@H]1CC[NH2+]C1 ZINC000071314439 643125040 /nfs/dbraw/zinc/12/50/40/643125040.db2.gz YSBDKHGUKKNKAC-JTQLQIEISA-N 1 0 233.290 1.886 10 30 BDEERO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H](C)[NH3+] ZINC000307029304 643396462 /nfs/dbraw/zinc/39/64/62/643396462.db2.gz JCIMPXKFBYPVAT-CRCLSJGQSA-N 1 0 230.724 1.816 10 30 BDEERO C[NH+]=C(NCc1nccs1)N[C@@H]1C[C@H]1C ZINC000083905274 643630589 /nfs/dbraw/zinc/63/05/89/643630589.db2.gz IODVJJWHURVVEX-HTQZYQBOSA-N 1 0 224.333 1.217 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC(C)(C)C ZINC000081741411 644343578 /nfs/dbraw/zinc/34/35/78/644343578.db2.gz ALGRPJXUQUOGEA-WDEREUQCSA-N 1 0 241.379 1.501 10 30 BDEERO C=C(Cl)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247378276 644636927 /nfs/dbraw/zinc/63/69/27/644636927.db2.gz VPYWRBDSCQXZJF-NWDGAFQWSA-N 1 0 246.782 1.516 10 30 BDEERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000708728610 712197999 /nfs/dbraw/zinc/19/79/99/712197999.db2.gz POTWRORQORRWFM-WISYIIOYSA-N 1 0 208.305 1.693 10 30 BDEERO C[C@@H](C(N)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000711139372 712285413 /nfs/dbraw/zinc/28/54/13/712285413.db2.gz CFRUYSDNFPZRKZ-VIFPVBQESA-N 1 0 211.309 1.122 10 30 BDEERO N#Cc1ccc(N2CC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000723668964 711533371 /nfs/dbraw/zinc/53/33/71/711533371.db2.gz DVJZTIWNLCRPSO-SNVBAGLBSA-N 1 0 233.290 1.872 10 30 BDEERO N#Cc1cnccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723685350 711534271 /nfs/dbraw/zinc/53/42/71/711534271.db2.gz GUUNAMOABIICAI-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(F)cc1C#N ZINC000723784444 711537306 /nfs/dbraw/zinc/53/73/06/711537306.db2.gz GLFUUOAHFOJIPR-KOLCDFICSA-N 1 0 233.290 1.965 10 30 BDEERO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CC[NH3+] ZINC000723901454 711544674 /nfs/dbraw/zinc/54/46/74/711544674.db2.gz IVPVZCYAMRIUHA-GHMZBOCLSA-N 1 0 230.315 1.374 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721906197 711813512 /nfs/dbraw/zinc/81/35/12/711813512.db2.gz ZDRWAPUTNMEPOM-LDYMZIIASA-N 1 0 216.288 1.282 10 30 BDEERO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000185249813 711905433 /nfs/dbraw/zinc/90/54/33/711905433.db2.gz MDZZQXGLTIEWIN-GFCCVEGCSA-N 1 0 236.359 1.636 10 30 BDEERO CCC1([NH3+])CCN(c2cc(C#N)ncn2)CC1 ZINC000714752786 712497047 /nfs/dbraw/zinc/49/70/47/712497047.db2.gz ZRCNFDDTWDASJY-UHFFFAOYSA-N 1 0 231.303 1.056 10 30 BDEERO CCC1([NH3+])CCN(c2ccnc(C#N)c2)CC1 ZINC000714751562 712497267 /nfs/dbraw/zinc/49/72/67/712497267.db2.gz FHEQHLWWUPNDIQ-UHFFFAOYSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1ccnc(NC[C@H]2C[C@H]([NH3+])C2)c1C#N ZINC000715133943 712513814 /nfs/dbraw/zinc/51/38/14/712513814.db2.gz LPHHDDUIUQVUDK-MGCOHNPYSA-N 1 0 216.288 1.411 10 30 BDEERO C=CC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715485689 712521227 /nfs/dbraw/zinc/52/12/27/712521227.db2.gz NWCZQHSUDMOQIZ-OUCADQQQSA-N 1 0 236.359 1.847 10 30 BDEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720577540 712853645 /nfs/dbraw/zinc/85/36/45/712853645.db2.gz VOJUERKBNCQIDA-NXEZZACHSA-N 1 0 208.309 1.820 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000720820066 712868385 /nfs/dbraw/zinc/86/83/85/712868385.db2.gz SWJSEYVFHNUDGU-LLVKDONJSA-N 1 0 230.315 1.435 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cccnc1C#N ZINC000721098608 712890747 /nfs/dbraw/zinc/89/07/47/712890747.db2.gz UXKWVHUASINUDY-GHMZBOCLSA-N 1 0 230.315 1.611 10 30 BDEERO C=CCCC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685962087 538909104 /nfs/dbraw/zinc/90/91/04/538909104.db2.gz UBSUFLYFDHZPBB-AWEZNQCLSA-N 1 0 246.354 1.981 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]1CCC(C)(C)[NH2+]1 ZINC000685952627 538896757 /nfs/dbraw/zinc/89/67/57/538896757.db2.gz BNNJRSSTZWMKNI-JTQLQIEISA-N 1 0 223.316 1.862 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382477087 398173521 /nfs/dbraw/zinc/17/35/21/398173521.db2.gz UFOTXOWWBFNUCB-VHSXEESVSA-N 1 0 231.303 1.196 10 30 BDEERO N#Cc1ccncc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382482293 398173619 /nfs/dbraw/zinc/17/36/19/398173619.db2.gz XLDOZDBYTCEPIK-KOLCDFICSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1nc(N[C@@H](C)C[NH3+])c(Cl)cc1C#N ZINC000380334009 343980560 /nfs/dbraw/zinc/98/05/60/343980560.db2.gz PIOYEEMTSBRBTR-LURJTMIESA-N 1 0 224.695 1.674 10 30 BDEERO Cc1cc(N2CCCC2=O)ccc1C#CC[NH3+] ZINC000037556815 178111940 /nfs/dbraw/zinc/11/19/40/178111940.db2.gz JXYSAFRKFXKFPM-UHFFFAOYSA-N 1 0 228.295 1.432 10 30 BDEERO C=CCC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000164641770 538934151 /nfs/dbraw/zinc/93/41/51/538934151.db2.gz IVVHQHIWEODRGQ-STQMWFEESA-N 1 0 226.364 1.651 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@H](C[NH3+])C2)n1 ZINC000050250012 178363344 /nfs/dbraw/zinc/36/33/44/178363344.db2.gz AANXAVVESBKLOQ-SNVBAGLBSA-N 1 0 216.288 1.047 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000050430445 178367460 /nfs/dbraw/zinc/36/74/60/178367460.db2.gz SEXLHGMGJKRZCN-GFCCVEGCSA-N 1 0 243.310 1.805 10 30 BDEERO CCC(CC)[N@H+](CCC/C(N)=N/O)CCOC ZINC000042679909 168373168 /nfs/dbraw/zinc/37/31/68/168373168.db2.gz DLGBRGYQFVZKEL-UHFFFAOYSA-N 1 0 245.367 1.650 10 30 BDEERO CNC(=[NH+]N)c1ccc(Cl)c(Cl)c1 ZINC000042035138 361927035 /nfs/dbraw/zinc/92/70/35/361927035.db2.gz QSVWWORLRYBDJS-UHFFFAOYSA-N 1 0 218.087 1.833 10 30 BDEERO C=C(CC)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000381247674 538996873 /nfs/dbraw/zinc/99/68/73/538996873.db2.gz OPTVSHZSEZDDGX-YPMHNXCESA-N 1 0 224.348 1.799 10 30 BDEERO CC(C)NC(NCc1ccccc1)=[NH+]N ZINC000164863066 342853554 /nfs/dbraw/zinc/85/35/54/342853554.db2.gz GLZKISSKCVWZQB-UHFFFAOYSA-N 1 0 206.293 1.004 10 30 BDEERO [NH2+]=C(NCC(F)(F)F)c1ccccc1 ZINC000059926677 342876070 /nfs/dbraw/zinc/87/60/70/342876070.db2.gz QNRRDJYTMVJJEG-UHFFFAOYSA-N 1 0 202.179 1.954 10 30 BDEERO CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246815307 398331488 /nfs/dbraw/zinc/33/14/88/398331488.db2.gz DIYLERPMSZEGIL-LLVKDONJSA-N 1 0 245.330 1.269 10 30 BDEERO C[C@]1(C(=O)C2=CCCCO2)CCC[NH2+]C1 ZINC000167695684 346890157 /nfs/dbraw/zinc/89/01/57/346890157.db2.gz DGGXAUIYWZEEDX-LBPRGKRZSA-N 1 0 209.289 1.640 10 30 BDEERO N#CCCOCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000339037745 136271153 /nfs/dbraw/zinc/27/11/53/136271153.db2.gz VQAOFSMULRNJPA-ZDUSSCGKSA-N 1 0 237.347 1.087 10 30 BDEERO N#CCCOCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000339037744 136271409 /nfs/dbraw/zinc/27/14/09/136271409.db2.gz VQAOFSMULRNJPA-CYBMUJFWSA-N 1 0 237.347 1.087 10 30 BDEERO CC[NH2+]CCCNc1cnccc1C#N ZINC000135798997 343194246 /nfs/dbraw/zinc/19/42/46/343194246.db2.gz BUCHHLUZNJBDMC-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891104 343293666 /nfs/dbraw/zinc/29/36/66/343293666.db2.gz BYUXQIRWYPVZJZ-DDHJBXDOSA-N 1 0 208.305 1.836 10 30 BDEERO N#Cc1cc(N[C@H](C[NH3+])C2CCCC2)ncn1 ZINC000310305930 343422561 /nfs/dbraw/zinc/42/25/61/343422561.db2.gz RRIGXEPAGUOFPP-LLVKDONJSA-N 1 0 231.303 1.278 10 30 BDEERO N[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000042013312 343428219 /nfs/dbraw/zinc/42/82/19/343428219.db2.gz XNHCRAWVLVRPHR-UHFFFAOYSA-N 1 0 203.167 1.284 10 30 BDEERO CCOC(=O)CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054828588 136373100 /nfs/dbraw/zinc/37/31/00/136373100.db2.gz LFJPIMONFLKVTC-UWVGGRQHSA-N 1 0 210.277 1.221 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC(=O)CC1 ZINC000396745737 349811894 /nfs/dbraw/zinc/81/18/94/349811894.db2.gz YLMVKTFSLJFLOY-QJPTWQEYSA-N 1 0 235.331 1.327 10 30 BDEERO N#Cc1ncccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310774375 343573020 /nfs/dbraw/zinc/57/30/20/343573020.db2.gz DLZFYFPVPPRGQP-TXEJJXNPSA-N 1 0 242.326 1.389 10 30 BDEERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602930991 349822667 /nfs/dbraw/zinc/82/26/67/349822667.db2.gz QIDPBCTYUOWMMY-GHMZBOCLSA-N 1 0 208.305 1.525 10 30 BDEERO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379806803 343631132 /nfs/dbraw/zinc/63/11/32/343631132.db2.gz OCKZVHXUCJHYBH-WOPDTQHZSA-N 1 0 210.321 1.629 10 30 BDEERO CNC(=[NH2+])Nc1cc(OC)ccc1Cl ZINC000052091629 343632297 /nfs/dbraw/zinc/63/22/97/343632297.db2.gz ACGQXQUCWYROJJ-UHFFFAOYSA-N 1 0 213.668 1.514 10 30 BDEERO N#C[C@H](c1ccccc1Cl)N1CC([NH3+])C1 ZINC000409439848 343853382 /nfs/dbraw/zinc/85/33/82/343853382.db2.gz JDTBYQLZLCKTLP-LLVKDONJSA-N 1 0 221.691 1.548 10 30 BDEERO N#C[C@@H](c1ccccc1Cl)N1CC([NH3+])C1 ZINC000409439849 343853431 /nfs/dbraw/zinc/85/34/31/343853431.db2.gz JDTBYQLZLCKTLP-NSHDSACASA-N 1 0 221.691 1.548 10 30 BDEERO C#CCn1ccn2nc(C3CC3)c(C[NH3+])c12 ZINC000409438908 343846047 /nfs/dbraw/zinc/84/60/47/343846047.db2.gz PKPJNUPARPJKRB-UHFFFAOYSA-N 1 0 214.272 1.105 10 30 BDEERO C=C[C@H](C)N1CC[C@@H](C)[S@](=O)CC1 ZINC000306919691 343895675 /nfs/dbraw/zinc/89/56/75/343895675.db2.gz FDTLMUCBSYZGTO-OPQQBVKSSA-N 1 0 201.335 1.404 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2C#N)C1 ZINC000334747722 343904802 /nfs/dbraw/zinc/90/48/02/343904802.db2.gz VQKMCZAKRUYVHX-FZMZJTMJSA-N 1 0 230.311 1.761 10 30 BDEERO C=C(Br)C[NH2+]C1CSC1 ZINC000307498111 343935079 /nfs/dbraw/zinc/93/50/79/343935079.db2.gz PILOUWXWZLFMAC-UHFFFAOYSA-N 1 0 208.124 1.600 10 30 BDEERO CC#CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000126261157 344172837 /nfs/dbraw/zinc/17/28/37/344172837.db2.gz ZEHCVNWQURHHJP-QWHCGFSZSA-N 1 0 206.333 1.568 10 30 BDEERO C=C[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754612 344210492 /nfs/dbraw/zinc/21/04/92/344210492.db2.gz FZEQQAMXCGKCGO-SCVCMEIPSA-N 1 0 208.305 1.067 10 30 BDEERO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000309350324 347038647 /nfs/dbraw/zinc/03/86/47/347038647.db2.gz BROLZODGHSVJCD-IJLUTSLNSA-N 1 0 226.320 1.056 10 30 BDEERO COC1CC([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000234735400 344238057 /nfs/dbraw/zinc/23/80/57/344238057.db2.gz RXJBHUNCNHPGLD-HBIQZDMRSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000600958059 344437923 /nfs/dbraw/zinc/43/79/23/344437923.db2.gz ZOTCVCVQDPAVPG-GZMMTYOYSA-N 1 0 246.270 1.629 10 30 BDEERO C[C@@H](Nc1ncc(C#N)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381364980 344497969 /nfs/dbraw/zinc/49/79/69/344497969.db2.gz LCUALZKJZCRIHZ-NKWVEPMBSA-N 1 0 235.247 1.009 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000381364979 344498070 /nfs/dbraw/zinc/49/80/70/344498070.db2.gz LCUALZKJZCRIHZ-BQBZGAKWSA-N 1 0 235.247 1.009 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381659935 344531376 /nfs/dbraw/zinc/53/13/76/344531376.db2.gz AFRNYEFCULRIDW-ZJUUUORDSA-N 1 0 218.304 1.718 10 30 BDEERO C[NH2+]C[C@@H]1CCCN1c1cc(C)nc(C#N)c1 ZINC000308237097 529990569 /nfs/dbraw/zinc/99/05/69/529990569.db2.gz 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1.278 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000378668664 346803701 /nfs/dbraw/zinc/80/37/01/346803701.db2.gz IHHNXDKMKAFHGP-WRWGMCAJSA-N 1 0 208.305 1.836 10 30 BDEERO C=CCCCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309782389 347163287 /nfs/dbraw/zinc/16/32/87/347163287.db2.gz NFQGFZYSQAJVQC-RYUDHWBXSA-N 1 0 224.348 1.990 10 30 BDEERO Cc1cccc([C@@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019268156 179176999 /nfs/dbraw/zinc/17/69/99/179176999.db2.gz IXEYKKZXHCYXEU-CYBMUJFWSA-N 1 0 215.300 1.465 10 30 BDEERO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(C#N)cc1 ZINC000063170809 347656635 /nfs/dbraw/zinc/65/66/35/347656635.db2.gz NNEDCLFKJICTSR-SECBINFHSA-N 1 0 232.287 1.417 10 30 BDEERO N#Cc1cccc(NCCC2CC[NH2+]CC2)n1 ZINC000593232907 347872994 /nfs/dbraw/zinc/87/29/94/347872994.db2.gz GQPDMKFAUKFVPZ-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO N#Cc1cnccc1NCCC1CC[NH2+]CC1 ZINC000593233454 347873067 /nfs/dbraw/zinc/87/30/67/347873067.db2.gz QNLVXBDQHZNFLG-UHFFFAOYSA-N 1 0 230.315 1.177 10 30 BDEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)cn1 ZINC000593233479 347873238 /nfs/dbraw/zinc/87/32/38/347873238.db2.gz RYEJXPTYGKNCIJ-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO N#Cc1cc2c(nc1N)CC[N@H+](C1CC1)C2 ZINC000725244764 537997067 /nfs/dbraw/zinc/99/70/67/537997067.db2.gz AZGJNPBRIRCWCV-UHFFFAOYSA-N 1 0 214.272 1.056 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000594669526 348096013 /nfs/dbraw/zinc/09/60/13/348096013.db2.gz DTJRSZAKDHUXQH-WRWGMCAJSA-N 1 0 208.305 1.572 10 30 BDEERO CC#CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000119108263 348200683 /nfs/dbraw/zinc/20/06/83/348200683.db2.gz LLGWERHINXWCAQ-CYBMUJFWSA-N 1 0 244.342 1.401 10 30 BDEERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC=O ZINC000251747583 362904874 /nfs/dbraw/zinc/90/48/74/362904874.db2.gz LDVFOUNGXSOFMW-NEPJUHHUSA-N 1 0 210.321 1.134 10 30 BDEERO C=CCCSCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000595939821 348409470 /nfs/dbraw/zinc/40/94/70/348409470.db2.gz MAOCDZGCNFWAON-LLVKDONJSA-N 1 0 244.404 1.785 10 30 BDEERO C[C@]1(C#N)CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000595979613 348414284 /nfs/dbraw/zinc/41/42/84/348414284.db2.gz CDDROJQFQOZBAC-DGCLKSJQSA-N 1 0 235.331 1.281 10 30 BDEERO Cc1nc(NCC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000596030051 348426370 /nfs/dbraw/zinc/42/63/70/348426370.db2.gz GKMCYIBOOTZSIX-GFCCVEGCSA-N 1 0 232.331 1.469 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nccc(C)c1C#N ZINC000596031186 348426745 /nfs/dbraw/zinc/42/67/45/348426745.db2.gz BEJUIFZDYPBWOO-VIFPVBQESA-N 1 0 204.277 1.282 10 30 BDEERO CCc1nnc(N[C@@H](C)C[NH2+]C)c(C#N)c1CC ZINC000596031725 348427313 /nfs/dbraw/zinc/42/73/13/348427313.db2.gz DXANXKJAVYZHSS-VIFPVBQESA-N 1 0 247.346 1.493 10 30 BDEERO CC[C@H](CC#N)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597087884 348656940 /nfs/dbraw/zinc/65/69/40/348656940.db2.gz WFDSMOQHLHLMBH-UTUOFQBUSA-N 1 0 208.305 1.836 10 30 BDEERO CC(C)NC(=[NH2+])NC[C@H]1CCO[C@H]1C(C)C ZINC000261632144 535124636 /nfs/dbraw/zinc/12/46/36/535124636.db2.gz JSHCXMWYWOFKHR-MNOVXSKESA-N 1 0 227.352 1.360 10 30 BDEERO C#CCn1cc(CC(N)=[NH2+])c(C(F)(F)F)n1 ZINC000409436993 350479807 /nfs/dbraw/zinc/47/98/07/350479807.db2.gz CYZDOIPYKIDWBH-UHFFFAOYSA-N 1 0 230.193 1.014 10 30 BDEERO C[N@@H+]1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616599732 350755213 /nfs/dbraw/zinc/75/52/13/350755213.db2.gz OFBGTGGGVCQBGP-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616608202 350801062 /nfs/dbraw/zinc/80/10/62/350801062.db2.gz NZSZVNBUMXKBKP-ZDUSSCGKSA-N 1 0 215.300 1.654 10 30 BDEERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397572100 350920718 /nfs/dbraw/zinc/92/07/18/350920718.db2.gz CEQHQBSZEOEKNB-VXGBXAGGSA-N 1 0 210.321 1.773 10 30 BDEERO C[C@H]1CCC[N@@H+]1CC1(C=O)CCOCC1 ZINC000052179838 350960532 /nfs/dbraw/zinc/96/05/32/350960532.db2.gz AKHRLNRRALFWOF-NSHDSACASA-N 1 0 211.305 1.466 10 30 BDEERO C[N@@H+]1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616653246 351189113 /nfs/dbraw/zinc/18/91/13/351189113.db2.gz ZTFQHKCFJZGKQZ-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO 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CCS[C@@H]1CCC[C@H]1NC(NC)=[NH+]C ZINC000307338799 352058585 /nfs/dbraw/zinc/05/85/85/352058585.db2.gz HJNGOUBLKJBPEN-RKDXNWHRSA-N 1 0 215.366 1.455 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000638471779 352280333 /nfs/dbraw/zinc/28/03/33/352280333.db2.gz KYMCSYYLGWUQSO-FRRDWIJNSA-N 1 0 236.359 1.929 10 30 BDEERO C=CC[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000638472002 352280917 /nfs/dbraw/zinc/28/09/17/352280917.db2.gz NVJQWPHMCZFAJV-QWRGUYRKSA-N 1 0 208.305 1.021 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000638472001 352281035 /nfs/dbraw/zinc/28/10/35/352281035.db2.gz NVJQWPHMCZFAJV-MNOVXSKESA-N 1 0 208.305 1.021 10 30 BDEERO C=CC[C@H]1CCN(C(=O)[C@H]([NH3+])CCC)C1 ZINC000638472071 352281848 /nfs/dbraw/zinc/28/18/48/352281848.db2.gz OFQKWJVHHCLGEE-WDEREUQCSA-N 1 0 210.321 1.538 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000638471545 352282264 /nfs/dbraw/zinc/28/22/64/352282264.db2.gz HKOROCJJHPUFIX-CHWSQXEVSA-N 1 0 236.359 1.943 10 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C=C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000307628948 352705922 /nfs/dbraw/zinc/70/59/22/352705922.db2.gz MSLYFBLRPNQFAH-CYBMUJFWSA-N 1 0 203.285 1.809 10 30 BDEERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000420214978 192177583 /nfs/dbraw/zinc/17/75/83/192177583.db2.gz JKZHRPURSUBYMQ-QMMMGPOBSA-N 1 0 234.259 1.473 10 30 BDEERO N#CCC1(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000398802342 353138939 /nfs/dbraw/zinc/13/89/39/353138939.db2.gz RQIKPZAUHMRFCI-XQQFMLRXSA-N 1 0 234.343 1.773 10 30 BDEERO N[NH+]=C(N)Nc1cc(F)cc(Cl)c1 ZINC000230065463 353418439 /nfs/dbraw/zinc/41/84/39/353418439.db2.gz XXQNCAZZSNQKSO-UHFFFAOYSA-N 1 0 202.620 1.079 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1ccncc1C#N ZINC000399022943 353680270 /nfs/dbraw/zinc/68/02/70/353680270.db2.gz IRSJICVISAXUMS-GFCCVEGCSA-N 1 0 232.331 1.763 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1cccnc1C#N ZINC000320709092 353797829 /nfs/dbraw/zinc/79/78/29/353797829.db2.gz PJXHHJWTRLSBLN-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO C=CCN(C(=O)C1CC[NH2+]CC1)C1CCCC1 ZINC000037817630 188508301 /nfs/dbraw/zinc/50/83/01/188508301.db2.gz UDDMRMKPLUFROG-UHFFFAOYSA-N 1 0 236.359 1.943 10 30 BDEERO N#CC1(N2CCC[NH2+]CC2)CCSCC1 ZINC000041048784 181030041 /nfs/dbraw/zinc/03/00/41/181030041.db2.gz JCMRZMMSJANPBU-UHFFFAOYSA-N 1 0 225.361 1.071 10 30 BDEERO N#C[C@@H]([C@H]1CC=CCC1)N1CCC[NH2+]CC1 ZINC000037940540 181057206 /nfs/dbraw/zinc/05/72/06/181057206.db2.gz BDJZXBDNKKARBA-STQMWFEESA-N 1 0 219.332 1.530 10 30 BDEERO N#C[C@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000062072686 181070133 /nfs/dbraw/zinc/07/01/33/181070133.db2.gz LLNMQUZNNVNQMX-CHWSQXEVSA-N 1 0 221.348 1.754 10 30 BDEERO CC#CCOc1cc(OC)ccc1C[C@H](C)[NH3+] ZINC000051666119 188577909 /nfs/dbraw/zinc/57/79/09/188577909.db2.gz VOCKZOOJSWWCCY-NSHDSACASA-N 1 0 233.311 1.987 10 30 BDEERO CC#CCOc1cc2c(cc1C[NH3+])OCO2 ZINC000051662632 188577966 /nfs/dbraw/zinc/57/79/66/188577966.db2.gz RUPYTAHAPHXPQL-UHFFFAOYSA-N 1 0 219.240 1.276 10 30 BDEERO N#Cc1cc(C(F)(F)F)cc(C[NH3+])n1 ZINC000095766644 181084562 /nfs/dbraw/zinc/08/45/62/181084562.db2.gz YBYCOCSOTCLTEC-UHFFFAOYSA-N 1 0 201.151 1.431 10 30 BDEERO N#Cc1cc2c(nc1OCC[NH3+])CCCC2 ZINC000051870396 181094341 /nfs/dbraw/zinc/09/43/41/181094341.db2.gz ADQDWZSYDUZRSP-UHFFFAOYSA-N 1 0 217.272 1.170 10 30 BDEERO N#Cc1cc(N)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564694 181088968 /nfs/dbraw/zinc/08/89/68/181088968.db2.gz CWWYMSNDTOLBDU-ZIAGYGMSSA-N 1 0 242.326 1.789 10 30 BDEERO N#Cc1cc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)ccn1 ZINC000061812518 181090130 /nfs/dbraw/zinc/09/01/30/181090130.db2.gz FMZDJQUJZKAGJN-CLYYMRHHSA-N 1 0 228.299 1.412 10 30 BDEERO N#Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)cc1F ZINC000361827471 181104955 /nfs/dbraw/zinc/10/49/55/181104955.db2.gz CKHYFFRKPUYVMP-LLVKDONJSA-N 1 0 248.301 1.902 10 30 BDEERO N#Cc1ccc(COC2CC[NH2+]CC2)cc1 ZINC000037390666 181110897 /nfs/dbraw/zinc/11/08/97/181110897.db2.gz GOQBRNAQGBAZJE-UHFFFAOYSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000037748519 181106862 /nfs/dbraw/zinc/10/68/62/181106862.db2.gz NSGRUXXVGCEYPI-UHFFFAOYSA-N 1 0 243.310 1.174 10 30 BDEERO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC(=O)NC2)c1 ZINC000104331800 181113124 /nfs/dbraw/zinc/11/31/24/181113124.db2.gz UHALYWNSWXZKNV-LLVKDONJSA-N 1 0 247.273 1.066 10 30 BDEERO N#Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062112386 181119143 /nfs/dbraw/zinc/11/91/43/181119143.db2.gz YMSVHIWMBPDCNP-JTQLQIEISA-N 1 0 215.256 1.106 10 30 BDEERO N#Cc1ccccc1C[C@@H]1COCC[C@@H]1[NH3+] ZINC000095077459 181146466 /nfs/dbraw/zinc/14/64/66/181146466.db2.gz QWCMAAQXPJPLSA-OLZOCXBDSA-N 1 0 216.284 1.465 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)nc1 ZINC000122663947 363389418 /nfs/dbraw/zinc/38/94/18/363389418.db2.gz OUCFJZGYNYZNHH-UHFFFAOYSA-N 1 0 204.277 1.365 10 30 BDEERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000161195764 363392186 /nfs/dbraw/zinc/39/21/86/363392186.db2.gz SQQIIYQVEBZLJN-JOYOIKCWSA-N 1 0 231.299 1.870 10 30 BDEERO C=CC[NH2+]CC[C@H](O)c1ccc(C)c(N)c1 ZINC000098124627 166398870 /nfs/dbraw/zinc/39/88/70/166398870.db2.gz FSPULXUOBXYSBH-ZDUSSCGKSA-N 1 0 220.316 1.776 10 30 BDEERO N#Cc1ccnc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000043220300 181158074 /nfs/dbraw/zinc/15/80/74/181158074.db2.gz MSAOSKOHNOFWQL-SNVBAGLBSA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ncccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000061658844 181170143 /nfs/dbraw/zinc/17/01/43/181170143.db2.gz QDERDFGIVXTGOV-WCQYABFASA-N 1 0 231.299 1.346 10 30 BDEERO N#Cc1ncccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000061658455 181170804 /nfs/dbraw/zinc/17/08/04/181170804.db2.gz LRRHAENRYJBMBP-TZMCWYRMSA-N 1 0 242.326 1.280 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000399082810 355273587 /nfs/dbraw/zinc/27/35/87/355273587.db2.gz SNIKTGKGHWFRQH-OAHLLOKOSA-N 1 0 243.354 1.889 10 30 BDEERO C=C(Br)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048261 356486893 /nfs/dbraw/zinc/48/68/93/356486893.db2.gz IQZDICDQVFSDDN-POYBYMJQSA-N 1 0 219.126 1.174 10 30 BDEERO Cc1cc(OC2CC[NH2+]CC2)ccc1C#N ZINC000088124572 356521495 /nfs/dbraw/zinc/52/14/95/356521495.db2.gz CVHFAHFVRFKWCO-UHFFFAOYSA-N 1 0 216.284 1.998 10 30 BDEERO COC(=O)[C@@H]1CC[C@@H](C#C[Si](C)(C)C)[NH2+]C1 ZINC000203784506 491097295 /nfs/dbraw/zinc/09/72/95/491097295.db2.gz FSOOKKHLCZDGTC-MNOVXSKESA-N 1 0 239.391 1.408 10 30 BDEERO N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089091448 356930068 /nfs/dbraw/zinc/93/00/68/356930068.db2.gz OIBLQMHDPJPKMF-QWHCGFSZSA-N 1 0 243.310 1.415 10 30 BDEERO C=C(Cl)C[NH2+][C@H]1CCN2CCC[C@@H]12 ZINC000219280724 357383053 /nfs/dbraw/zinc/38/30/53/357383053.db2.gz FKYCATNDPKKTTL-UWVGGRQHSA-N 1 0 200.713 1.565 10 30 BDEERO C[C@@H]1C(=O)NCCCN1Cc1cccc(C#N)c1 ZINC000189102151 357615791 /nfs/dbraw/zinc/61/57/91/357615791.db2.gz INRLNCYTSIGGIF-LLVKDONJSA-N 1 0 243.310 1.269 10 30 BDEERO CC[C@H](C#N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460726 357663343 /nfs/dbraw/zinc/66/33/43/357663343.db2.gz DXQRNGCPKAAAKZ-QJPTWQEYSA-N 1 0 235.331 1.231 10 30 BDEERO CCOC1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000169197774 134249322 /nfs/dbraw/zinc/24/93/22/134249322.db2.gz XKEKNPXIUOGCMH-WNYYMSAVSA-N 1 0 208.305 1.836 10 30 BDEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@@H](C)C(C)C ZINC000171617004 134257038 /nfs/dbraw/zinc/25/70/38/134257038.db2.gz VUPUYXOFVXGOPN-JTQLQIEISA-N 1 0 249.362 1.495 10 30 BDEERO C[N@@H+]1CCC[C@@H](COc2cc(N)ncc2C#N)C1 ZINC000584632712 358315249 /nfs/dbraw/zinc/31/52/49/358315249.db2.gz JSVUUCRCKFXXHG-SNVBAGLBSA-N 1 0 246.314 1.086 10 30 BDEERO C=CCC[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000125083068 358533376 /nfs/dbraw/zinc/53/33/76/358533376.db2.gz YNPVEHKWJPTPBT-CYBMUJFWSA-N 1 0 249.358 1.916 10 30 BDEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC#N ZINC000175049950 134284311 /nfs/dbraw/zinc/28/43/11/134284311.db2.gz BKNMEJJJVQWHAO-CHWSQXEVSA-N 1 0 221.348 1.849 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000134541727 358794699 /nfs/dbraw/zinc/79/46/99/358794699.db2.gz HUJCCSKYPRDWHN-JSGCOSHPSA-N 1 0 215.296 1.805 10 30 BDEERO CC[C@@](C)(C#N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000136249135 358870200 /nfs/dbraw/zinc/87/02/00/358870200.db2.gz ZCNBJWLCKQWELU-YPMHNXCESA-N 1 0 237.347 1.336 10 30 BDEERO N#Cc1ccc(C(F)(F)F)nc1NCCC[NH3+] ZINC000094336433 360304966 /nfs/dbraw/zinc/30/49/66/360304966.db2.gz YKPYODPNVKYMFJ-UHFFFAOYSA-N 1 0 244.220 1.733 10 30 BDEERO N#Cc1c(C[NH3+])cncc1OC(F)(F)F ZINC000238571946 361157397 /nfs/dbraw/zinc/15/73/97/361157397.db2.gz GQPDARMMPBSWGB-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO Cc1c[nH+]ccc1N1CCC[C@H](C=O)C1 ZINC000070047898 361385772 /nfs/dbraw/zinc/38/57/72/361385772.db2.gz LFGFPNZQVQUFCF-NSHDSACASA-N 1 0 204.273 1.805 10 30 BDEERO [NH3+]CC#Cc1ccccc1C(=O)NCC1CC1 ZINC000037569991 181345887 /nfs/dbraw/zinc/34/58/87/181345887.db2.gz ZAGSDXZLSSMLKP-UHFFFAOYSA-N 1 0 228.295 1.137 10 30 BDEERO [NH3+]CC#Cc1cccc(OC[C@@H]2CCOC2)c1 ZINC000049689766 181346514 /nfs/dbraw/zinc/34/65/14/181346514.db2.gz JLYQLAAQUOZBLN-CYBMUJFWSA-N 1 0 231.295 1.412 10 30 BDEERO [NH3+]CC#Cc1ccccc1OCCn1cccn1 ZINC000049326289 181348077 /nfs/dbraw/zinc/34/80/77/181348077.db2.gz GAPRJSHROUVADZ-UHFFFAOYSA-N 1 0 241.294 1.272 10 30 BDEERO C=C(Cl)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C ZINC000252560905 363892939 /nfs/dbraw/zinc/89/29/39/363892939.db2.gz UHYSNCHXNPPQFH-KXUCPTDWSA-N 1 0 200.713 1.279 10 30 BDEERO C=CCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630362447 364082421 /nfs/dbraw/zinc/08/24/21/364082421.db2.gz MXIAREWGRRMLMS-VXGBXAGGSA-N 1 0 212.337 1.391 10 30 BDEERO [NH3+]CCN1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000095077592 181393738 /nfs/dbraw/zinc/39/37/38/181393738.db2.gz PEAIAIUAWWIIPW-GHMZBOCLSA-N 1 0 214.378 1.367 10 30 BDEERO C=CCCCN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384343387 367685179 /nfs/dbraw/zinc/68/51/79/367685179.db2.gz CSCVPMBUIWZTBB-NWDGAFQWSA-N 1 0 224.348 1.799 10 30 BDEERO CC[NH2+][C@H](C)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000387635840 368990464 /nfs/dbraw/zinc/99/04/64/368990464.db2.gz GWBNQMXVDIDVIL-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO CC[NH2+][C@H](C)CNc1cccc(C#N)n1 ZINC000387704271 369094421 /nfs/dbraw/zinc/09/44/21/369094421.db2.gz XVGGZJOXRUVOLO-SECBINFHSA-N 1 0 204.277 1.363 10 30 BDEERO Cc1ccnc(NCCC2(C[NH3+])CC2)c1C#N ZINC000404855058 369437344 /nfs/dbraw/zinc/43/73/44/369437344.db2.gz SOQJXSYEJDUJGX-UHFFFAOYSA-N 1 0 230.315 1.803 10 30 BDEERO N#Cc1cnc(N2CCCCC[C@H]([NH3+])C2)cn1 ZINC000600958748 369576206 /nfs/dbraw/zinc/57/62/06/369576206.db2.gz JLWASSUYWWEZIB-JTQLQIEISA-N 1 0 231.303 1.056 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600862449 369570937 /nfs/dbraw/zinc/57/09/37/369570937.db2.gz BEWQNVDLONMWAE-JOYOIKCWSA-N 1 0 230.315 1.814 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955251 369575193 /nfs/dbraw/zinc/57/51/93/369575193.db2.gz KZZCVQDOZFBDBK-BXKDBHETSA-N 1 0 230.315 1.814 10 30 BDEERO N#Cc1ccncc1N1CCCCC[C@H]([NH3+])C1 ZINC000600958973 369575402 /nfs/dbraw/zinc/57/54/02/369575402.db2.gz NYBSYFFNEIZVEH-LBPRGKRZSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(F)cc1C#N ZINC000600962103 369579616 /nfs/dbraw/zinc/57/96/16/369579616.db2.gz AAXKEZYGCZNAIW-KWQFWETISA-N 1 0 219.263 1.623 10 30 BDEERO C[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000602592310 369823973 /nfs/dbraw/zinc/82/39/73/369823973.db2.gz INVIQNZPYWIUEP-GWCFXTLKSA-N 1 0 243.310 1.225 10 30 BDEERO CC[C@H]1CN(c2cccnc2C#N)CC[C@H]1[NH3+] ZINC000251878605 369981303 /nfs/dbraw/zinc/98/13/03/369981303.db2.gz VBHMMSLKGCRYGJ-WDEREUQCSA-N 1 0 230.315 1.517 10 30 BDEERO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309558336 370229561 /nfs/dbraw/zinc/22/95/61/370229561.db2.gz INPGXZHSFXCTIJ-UTUOFQBUSA-N 1 0 221.304 1.323 10 30 BDEERO CC(C)[C@H]([NH3+])CNc1cc(C#N)ccn1 ZINC000070010550 371002864 /nfs/dbraw/zinc/00/28/64/371002864.db2.gz HBURMSKDGVRQMX-SNVBAGLBSA-N 1 0 204.277 1.348 10 30 BDEERO Cc1cc(C#N)cc(N2CCC(CC[NH3+])CC2)n1 ZINC000161750902 371560491 /nfs/dbraw/zinc/56/04/91/371560491.db2.gz NGWRHBQBFDRETE-UHFFFAOYSA-N 1 0 244.342 1.827 10 30 BDEERO CC[C@H]1CN(c2cc(C#N)cc(C)n2)CC[C@@H]1[NH3+] ZINC000161781310 371563744 /nfs/dbraw/zinc/56/37/44/371563744.db2.gz GMHCZDJLEQAPQU-STQMWFEESA-N 1 0 244.342 1.825 10 30 BDEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cncs1 ZINC000161833527 371568143 /nfs/dbraw/zinc/56/81/43/371568143.db2.gz LSMKRUPADKOCOX-SSDOTTSWSA-N 1 0 208.290 1.001 10 30 BDEERO CC(C)(C=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000227020671 371767748 /nfs/dbraw/zinc/76/77/48/371767748.db2.gz DDFDBWSKBIQVEQ-MNOVXSKESA-N 1 0 211.305 1.465 10 30 BDEERO CNC(=[NH2+])SC[C@H]1CC1(Cl)Cl ZINC000029497486 371768535 /nfs/dbraw/zinc/76/85/35/371768535.db2.gz LVUSNSSZRUCUBP-SCSAIBSYSA-N 1 0 213.133 1.858 10 30 BDEERO Cc1cc(C)c(C#N)c(N(C)CCC[NH3+])n1 ZINC000227749345 371926529 /nfs/dbraw/zinc/92/65/29/371926529.db2.gz SFIILSOCVGGFMZ-UHFFFAOYSA-N 1 0 218.304 1.355 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000132958093 371958176 /nfs/dbraw/zinc/95/81/76/371958176.db2.gz MDUNPADYFOILAH-GWCFXTLKSA-N 1 0 231.299 1.111 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000132958304 371958572 /nfs/dbraw/zinc/95/85/72/371958572.db2.gz MDUNPADYFOILAH-MFKMUULPSA-N 1 0 231.299 1.111 10 30 BDEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(F)cc2C#N)CCO1 ZINC000132968750 371959837 /nfs/dbraw/zinc/95/98/37/371959837.db2.gz DUYZBMPFBDHFNS-ZANVPECISA-N 1 0 249.289 1.250 10 30 BDEERO C=C[C@H]([NH2+]C)[C@@H]1SCCS[C@@H]1C ZINC000228115451 371993176 /nfs/dbraw/zinc/99/31/76/371993176.db2.gz BFHVIBFDQJUCQE-HRDYMLBCSA-N 1 0 203.376 1.998 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1SCCS[C@@H]1CC ZINC000228159088 371998668 /nfs/dbraw/zinc/99/86/68/371998668.db2.gz JKFJOIQHSZWWNP-AEJSXWLSSA-N 1 0 215.387 1.835 10 30 BDEERO CC1(C)CCN(CCS)CC[S@]1=O ZINC000306479309 372023950 /nfs/dbraw/zinc/02/39/50/372023950.db2.gz IAKUQBJHAHZURF-CYBMUJFWSA-N 1 0 221.391 1.149 10 30 BDEERO N[NH+]=C(N)Nc1cccc(Br)c1 ZINC000164585367 372168826 /nfs/dbraw/zinc/16/88/26/372168826.db2.gz HJUJAQSYKTTYDO-UHFFFAOYSA-N 1 0 229.081 1.049 10 30 BDEERO N[NH+]=C(N)Nc1ccccc1Br ZINC000164585220 372168954 /nfs/dbraw/zinc/16/89/54/372168954.db2.gz NGURKTJOGUVQRP-UHFFFAOYSA-N 1 0 229.081 1.049 10 30 BDEERO CC(C)([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000040924405 373926456 /nfs/dbraw/zinc/92/64/56/373926456.db2.gz RHQHMBLMAWHKTD-UHFFFAOYSA-N 1 0 231.299 1.276 10 30 BDEERO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000381145516 373928520 /nfs/dbraw/zinc/92/85/20/373928520.db2.gz NPHFVMCRDFTHQI-QWRGUYRKSA-N 1 0 246.376 1.013 10 30 BDEERO COc1ccc(Br)c(C(N)=NN)c1 ZINC000042038629 374240142 /nfs/dbraw/zinc/24/01/42/374240142.db2.gz HQIGWGVJFYRVSG-UHFFFAOYSA-N 1 0 244.092 1.037 10 30 BDEERO OCC#Cc1cc(F)ccc1C[NH+]1CCCC1 ZINC000049615599 183032525 /nfs/dbraw/zinc/03/25/25/183032525.db2.gz LOCJWNJFWPBUGU-UHFFFAOYSA-N 1 0 233.286 1.765 10 30 BDEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[NH3+] ZINC000037809157 169176330 /nfs/dbraw/zinc/17/63/30/169176330.db2.gz BZOWXNLEWGAEQB-NSHDSACASA-N 1 0 245.326 1.644 10 30 BDEERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000037808422 169387296 /nfs/dbraw/zinc/38/72/96/169387296.db2.gz OWOMXDJMWPUVDJ-CYBMUJFWSA-N 1 0 245.326 1.644 10 30 BDEERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000343992212 383903933 /nfs/dbraw/zinc/90/39/33/383903933.db2.gz VNFVXWMPOSZIFX-ZIAGYGMSSA-N 1 0 246.310 1.140 10 30 BDEERO Cc1ccnc(NC[C@H]([NH3+])C(C)C)c1C#N ZINC000135203340 384175585 /nfs/dbraw/zinc/17/55/85/384175585.db2.gz XRQDASCFRCVWSV-NSHDSACASA-N 1 0 218.304 1.657 10 30 BDEERO CC[NH2+]CCCNc1nccc(C)c1C#N ZINC000135195772 384176070 /nfs/dbraw/zinc/17/60/70/384176070.db2.gz ONQXUXLFOQTVDS-UHFFFAOYSA-N 1 0 218.304 1.673 10 30 BDEERO C[C@H](C[NH3+])CNc1ccc(F)cc1C#N ZINC000336719251 384255725 /nfs/dbraw/zinc/25/57/25/384255725.db2.gz ZBQKIFBFHODELS-MRVPVSSYSA-N 1 0 207.252 1.704 10 30 BDEERO Cc1nnc(N[C@H](C)CCC[NH3+])c(C#N)c1C ZINC000310387449 384266498 /nfs/dbraw/zinc/26/64/98/384266498.db2.gz CTGYFHCTLUZVTO-MRVPVSSYSA-N 1 0 233.319 1.504 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC#N ZINC000083550822 384311765 /nfs/dbraw/zinc/31/17/65/384311765.db2.gz SRLFBVYPASDXCY-VXGBXAGGSA-N 1 0 207.321 1.459 10 30 BDEERO C#CCCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000086929627 533058722 /nfs/dbraw/zinc/05/87/22/533058722.db2.gz AYNLTJCMJQEIQT-ZIAGYGMSSA-N 1 0 220.360 1.958 10 30 BDEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249856690 384521549 /nfs/dbraw/zinc/52/15/49/384521549.db2.gz QGMSGDGMQNOJQS-UKKRHICBSA-N 1 0 225.336 1.257 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1ncccc1C#N ZINC000082668127 384529546 /nfs/dbraw/zinc/52/95/46/384529546.db2.gz QAQQKIPOFHSOIS-NSHDSACASA-N 1 0 218.304 1.739 10 30 BDEERO CC#CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160074572 384604828 /nfs/dbraw/zinc/60/48/28/384604828.db2.gz JBTSRGVOTOXNFW-UHFFFAOYSA-N 1 0 247.342 1.078 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000071140025 384653981 /nfs/dbraw/zinc/65/39/81/384653981.db2.gz ZXXASGVHFQWREO-LBPRGKRZSA-N 1 0 244.342 1.710 10 30 BDEERO C=C(C)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909111 384888926 /nfs/dbraw/zinc/88/89/26/384888926.db2.gz CSDXMWSZZHKFKE-UHFFFAOYSA-N 1 0 232.331 1.565 10 30 BDEERO C[C@@H]1CCCN(c2cccc(C#N)n2)[C@@H]1C[NH3+] ZINC000083927769 384928147 /nfs/dbraw/zinc/92/81/47/384928147.db2.gz PULFNZYHCMDLNU-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])cc(C#N)n1 ZINC000308237594 385411658 /nfs/dbraw/zinc/41/16/58/385411658.db2.gz HGTLIERMDHRPAA-IINYFYTJSA-N 1 0 244.342 1.825 10 30 BDEERO Cc1cc(N[C@H](C)CCC[NH3+])cc(C#N)n1 ZINC000308245657 385413419 /nfs/dbraw/zinc/41/34/19/385413419.db2.gz SIHGJTULUNTLQT-SECBINFHSA-N 1 0 218.304 1.801 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(C#N)n1 ZINC000308241443 385413423 /nfs/dbraw/zinc/41/34/23/385413423.db2.gz PNWDDCPLVFUNIG-TVQRCGJNSA-N 1 0 230.315 1.435 10 30 BDEERO Cc1cc(N2CC[NH2+][C@H](C)C2)cc(C#N)n1 ZINC000308244727 385413510 /nfs/dbraw/zinc/41/35/10/385413510.db2.gz PQUICNLRPUOJLR-SNVBAGLBSA-N 1 0 216.288 1.060 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)cc(C#N)n1 ZINC000308246031 385413829 /nfs/dbraw/zinc/41/38/29/385413829.db2.gz VASPQLDWMQJIMN-JOYOIKCWSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H](C[NH3+])CNc1ccc(C#N)cc1F ZINC000308890301 385627897 /nfs/dbraw/zinc/62/78/97/385627897.db2.gz HITDOXUMPQTCIV-QMMMGPOBSA-N 1 0 207.252 1.704 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052013778 385612160 /nfs/dbraw/zinc/61/21/60/385612160.db2.gz ZCUXZBQVSABKFV-BDAKNGLRSA-N 1 0 234.137 1.788 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC000231898447 385854061 /nfs/dbraw/zinc/85/40/61/385854061.db2.gz UOSDJRNKBGNHSL-LLVKDONJSA-N 1 0 245.330 1.553 10 30 BDEERO N#Cc1c(Br)cccc1C[NH3+] ZINC000260623172 385917891 /nfs/dbraw/zinc/91/78/91/385917891.db2.gz ZYBFVEULJICLQD-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO Cc1nnc(N[C@H](C)CC[NH3+])c(C#N)c1C ZINC000309401035 386210272 /nfs/dbraw/zinc/21/02/72/386210272.db2.gz DNEKTSANHUKPPG-SSDOTTSWSA-N 1 0 219.292 1.114 10 30 BDEERO N#Cc1nnc2ccccc2c1NCCC[NH3+] ZINC000085920805 386193975 /nfs/dbraw/zinc/19/39/75/386193975.db2.gz KDJMSHIEYASQPQ-UHFFFAOYSA-N 1 0 227.271 1.262 10 30 BDEERO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c(C#N)cn1 ZINC000398977539 386280373 /nfs/dbraw/zinc/28/03/73/386280373.db2.gz DNGGGXMHGHEKPT-LBPRGKRZSA-N 1 0 244.342 1.827 10 30 BDEERO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000408368409 386395618 /nfs/dbraw/zinc/39/56/18/386395618.db2.gz HVHUOKFVPWXTRP-TUAOUCFPSA-N 1 0 237.347 1.381 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000399196140 386412583 /nfs/dbraw/zinc/41/25/83/386412583.db2.gz LSQIHBZEYPTNLN-FZMZJTMJSA-N 1 0 230.311 1.903 10 30 BDEERO N#CCc1cnc(Cl)n1[C@H]1CCC[NH2+]C1 ZINC000521401721 386463598 /nfs/dbraw/zinc/46/35/98/386463598.db2.gz NQVYFGCPEWSDGR-QMMMGPOBSA-N 1 0 224.695 1.527 10 30 BDEERO C[C@H]1[C@@H](NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307416371 386648066 /nfs/dbraw/zinc/64/80/66/386648066.db2.gz LFZFPOCZSPQVIY-JSGCOSHPSA-N 1 0 229.327 1.763 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382464235 386612303 /nfs/dbraw/zinc/61/23/03/386612303.db2.gz YZZYBLCWRDQAFR-CMPLNLGQSA-N 1 0 230.315 1.801 10 30 BDEERO C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575451292 386799040 /nfs/dbraw/zinc/79/90/40/386799040.db2.gz SFUPMQBSFDUPMB-TZMCWYRMSA-N 1 0 242.322 1.399 10 30 BDEERO C[C@H](C=O)[N@@H+]1CCSC(C)(C)CC1 ZINC000575453801 386841297 /nfs/dbraw/zinc/84/12/97/386841297.db2.gz UCNNERQHEKNFTR-SECBINFHSA-N 1 0 201.335 1.791 10 30 BDEERO Cc1cc(N2CC[NH+](CCCCC#N)CC2)n[nH]1 ZINC000187184242 387171821 /nfs/dbraw/zinc/17/18/21/387171821.db2.gz OOFIXNYNKFDNOB-UHFFFAOYSA-N 1 0 247.346 1.534 10 30 BDEERO C[C@@H]1C[NH2+]CC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495992 387314594 /nfs/dbraw/zinc/31/45/94/387314594.db2.gz CITFZUNAEOPEBA-SKDRFNHKSA-N 1 0 239.319 1.403 10 30 BDEERO C=CC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000648080584 387514742 /nfs/dbraw/zinc/51/47/42/387514742.db2.gz BVVOMNVYCJJDSL-UHFFFAOYSA-N 1 0 236.359 1.929 10 30 BDEERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1C#N ZINC000295058775 387835176 /nfs/dbraw/zinc/83/51/76/387835176.db2.gz QCDKMGHSSRWXOA-FZMZJTMJSA-N 1 0 230.311 1.903 10 30 BDEERO C#CCCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245569233 387962145 /nfs/dbraw/zinc/96/21/45/387962145.db2.gz ALERZCZUHKSROL-KBPBESRZSA-N 1 0 248.370 1.875 10 30 BDEERO CC[N@H+](C)CCNc1cc(C)nc(C)c1C#N ZINC000133756598 388389506 /nfs/dbraw/zinc/38/95/06/388389506.db2.gz UXJMMHVPNXNSOI-UHFFFAOYSA-N 1 0 232.331 1.934 10 30 BDEERO C[C@H](CC[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000310437418 388669854 /nfs/dbraw/zinc/66/98/54/388669854.db2.gz ROMBRNDKPOVCLN-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO Cc1cc(N2CC[NH2+]C(C)(C)C2)cc(C#N)n1 ZINC000308246486 388658655 /nfs/dbraw/zinc/65/86/55/388658655.db2.gz XOECQLUPTROVFG-UHFFFAOYSA-N 1 0 230.315 1.450 10 30 BDEERO Cc1cc(NC[C@H]([NH3+])C(C)C)cc(C#N)n1 ZINC000308239732 388658759 /nfs/dbraw/zinc/65/87/59/388658759.db2.gz KYZZIMLVCHGOLO-LBPRGKRZSA-N 1 0 218.304 1.657 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2cccc(C#N)n2)C1 ZINC000080119220 388707902 /nfs/dbraw/zinc/70/79/02/388707902.db2.gz IKXHBIXAOWSIKW-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO CN(C[C@@H]1CCCC[NH2+]1)c1cc(C#N)ccn1 ZINC000095070798 388758464 /nfs/dbraw/zinc/75/84/64/388758464.db2.gz XJIGAPCNHBFFBC-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO C[C@H]1CSC(NCC2CSC2)=[NH+]1 ZINC000575487369 388876078 /nfs/dbraw/zinc/87/60/78/388876078.db2.gz LPMVWGAKWHMRPK-LURJTMIESA-N 1 0 202.348 1.430 10 30 BDEERO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185457053 533534448 /nfs/dbraw/zinc/53/44/48/533534448.db2.gz GSZGXFXJUFCRRR-NWDGAFQWSA-N 1 0 224.348 1.751 10 30 BDEERO N#Cc1ccnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000296457898 132221365 /nfs/dbraw/zinc/22/13/65/132221365.db2.gz JCENPTWQPQERCC-LBPRGKRZSA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1c(F)cccc1N1CCC(C[NH3+])CC1 ZINC000044514805 132224870 /nfs/dbraw/zinc/22/48/70/132224870.db2.gz NTTOGZWNOTVIIW-UHFFFAOYSA-N 1 0 233.290 1.872 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000161749845 132232936 /nfs/dbraw/zinc/23/29/36/132232936.db2.gz UVDWHYBBNJGIIV-GWCFXTLKSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnc(C#N)cn1 ZINC000094460843 132239109 /nfs/dbraw/zinc/23/91/09/132239109.db2.gz JHMOIYRYRBIYOI-ZYHUDNBSSA-N 1 0 243.314 1.021 10 30 BDEERO N#Cc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000252662212 132303745 /nfs/dbraw/zinc/30/37/45/132303745.db2.gz WEPAHVDNDLQKEH-ZDUSSCGKSA-N 1 0 242.326 1.628 10 30 BDEERO Cc1ccc(C#N)c(N2CCC([NH3+])CC2)c1 ZINC000051580880 132361577 /nfs/dbraw/zinc/36/15/77/132361577.db2.gz WJESAFDVYKJSKU-UHFFFAOYSA-N 1 0 215.300 1.794 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nccnc1C#N ZINC000063196703 132389224 /nfs/dbraw/zinc/38/92/24/132389224.db2.gz RHHGHQIJXTZMQR-KOLCDFICSA-N 1 0 231.303 1.054 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000336100033 134081280 /nfs/dbraw/zinc/08/12/80/134081280.db2.gz ZCUJNYJORVICTR-BQBZGAKWSA-N 1 0 225.242 1.984 10 30 BDEERO C[C@H](C#N)N1CCCC[C@@H]1CN1CCOCC1 ZINC000181928381 134340445 /nfs/dbraw/zinc/34/04/45/134340445.db2.gz VCXHQIKMPBRGKJ-CHWSQXEVSA-N 1 0 237.347 1.085 10 30 BDEERO C[C@H](C#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916500 134340792 /nfs/dbraw/zinc/34/07/92/134340792.db2.gz MCWVCXYVAUHIFS-CHWSQXEVSA-N 1 0 221.348 1.706 10 30 BDEERO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]C2CC2)O1 ZINC000224579506 134345034 /nfs/dbraw/zinc/34/50/34/134345034.db2.gz HJOAEUIMRWWYJH-FVCCEPFGSA-N 1 0 220.316 1.978 10 30 BDEERO N#CCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000226200909 134361649 /nfs/dbraw/zinc/36/16/49/134361649.db2.gz UKOOEIHCAJYTSH-GFCCVEGCSA-N 1 0 207.321 1.460 10 30 BDEERO N#Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)c(F)c1 ZINC000227573434 134381503 /nfs/dbraw/zinc/38/15/03/134381503.db2.gz YNNKFHZDUHORTE-LLVKDONJSA-N 1 0 248.301 1.902 10 30 BDEERO N#Cc1cccc(C[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000227570054 134383242 /nfs/dbraw/zinc/38/32/42/134383242.db2.gz YAKQVEZJRLWEDV-LBPRGKRZSA-N 1 0 230.311 1.763 10 30 BDEERO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000227570138 134383597 /nfs/dbraw/zinc/38/35/97/134383597.db2.gz NHTIJWUYVBVVDE-NSHDSACASA-N 1 0 248.301 1.902 10 30 BDEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251719877 135075349 /nfs/dbraw/zinc/07/53/49/135075349.db2.gz BYUXQIRWYPVZJZ-WRWGMCAJSA-N 1 0 208.305 1.836 10 30 BDEERO C=C(Cl)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000261552479 135191256 /nfs/dbraw/zinc/19/12/56/135191256.db2.gz RNNCKUDQBBQJJQ-JTQLQIEISA-N 1 0 230.739 1.635 10 30 BDEERO N#Cc1cc(NC2C[NH2+]C2)ccc1C(F)(F)F ZINC000164103310 135214038 /nfs/dbraw/zinc/21/40/38/135214038.db2.gz QEEIKHSRPPEBAK-UHFFFAOYSA-N 1 0 241.216 1.961 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCO[C@H]1C(C)C ZINC000261640297 135242546 /nfs/dbraw/zinc/24/25/46/135242546.db2.gz KWVXHVZHTFXIHS-SRVKXCTJSA-N 1 0 241.379 1.750 10 30 BDEERO C[NH+]=C(NC1CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261730194 135248190 /nfs/dbraw/zinc/24/81/90/135248190.db2.gz LOCOTIZRCIURNJ-PHIMTYICSA-N 1 0 221.348 1.846 10 30 BDEERO C[NH+]=C(NCC(F)F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261821954 135255700 /nfs/dbraw/zinc/25/57/00/135255700.db2.gz ULBIWTKSOGMLMO-AOOOYVTPSA-N 1 0 245.317 1.949 10 30 BDEERO Cc1cccnc1C(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000262290477 135290890 /nfs/dbraw/zinc/29/08/90/135290890.db2.gz LARISKXPSNOFOK-NSHDSACASA-N 1 0 246.358 1.605 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1COc2cccc(Cl)c21 ZINC000262312787 135292153 /nfs/dbraw/zinc/29/21/53/135292153.db2.gz TUUWYFXNFHXRJA-QMMMGPOBSA-N 1 0 239.706 1.650 10 30 BDEERO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H](CO)C1 ZINC000262345167 135294806 /nfs/dbraw/zinc/29/48/06/135294806.db2.gz ZPRPWZHVFHFSFR-NWDGAFQWSA-N 1 0 239.363 1.266 10 30 BDEERO Cc1ccc(CNC2=[NH+]C[C@H](C)N2)cc1F ZINC000262477836 135301609 /nfs/dbraw/zinc/30/16/09/135301609.db2.gz CLPGNFMISWGZNF-VIFPVBQESA-N 1 0 221.279 1.571 10 30 BDEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])N(C)C ZINC000262518291 135304270 /nfs/dbraw/zinc/30/42/70/135304270.db2.gz HHMSFRDPAKXLQP-OCCSQVGLSA-N 1 0 247.342 1.602 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1C[C@@H]1C1CCCCC1 ZINC000262536029 135304795 /nfs/dbraw/zinc/30/47/95/135304795.db2.gz PUPOIIPURANVBN-MNOVXSKESA-N 1 0 209.337 1.832 10 30 BDEERO C[C@H]1C[NH+]=C(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262649588 135310898 /nfs/dbraw/zinc/31/08/98/135310898.db2.gz KBIPWCPGOHJLBF-MMWGEVLESA-N 1 0 225.336 1.127 10 30 BDEERO C[C@H]1C[NH+]=C(NCC#Cc2cccc(F)c2)N1 ZINC000262652175 135311414 /nfs/dbraw/zinc/31/14/14/135311414.db2.gz KSTVXVFKDFOGTB-JTQLQIEISA-N 1 0 231.274 1.115 10 30 BDEERO [NH2+]=C(NC1CCC1)N[C@@H]1COc2ccccc21 ZINC000263065523 135330275 /nfs/dbraw/zinc/33/02/75/135330275.db2.gz GCYXGVGZQSBKEP-LLVKDONJSA-N 1 0 231.299 1.577 10 30 BDEERO CC(C)NC(=[NH2+])NCC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000263078895 135331104 /nfs/dbraw/zinc/33/11/04/135331104.db2.gz HMQGTNUMRAGOAE-WOPDTQHZSA-N 1 0 221.348 1.901 10 30 BDEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCOCC1 ZINC000263086847 135331580 /nfs/dbraw/zinc/33/15/80/135331580.db2.gz ILQRFZJFXAYFIF-AAEUAGOBSA-N 1 0 239.363 1.458 10 30 BDEERO C[NH+]=C(NCCn1cccn1)N[C@H](C)C(C)C ZINC000263270589 135343538 /nfs/dbraw/zinc/34/35/38/135343538.db2.gz WSLHEECLLKPZBA-LLVKDONJSA-N 1 0 237.351 1.093 10 30 BDEERO N/C(=N/O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079812501 135362690 /nfs/dbraw/zinc/36/26/90/135362690.db2.gz QONPNDBZOFUCMY-LBPRGKRZSA-N 1 0 233.315 1.788 10 30 BDEERO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCO1 ZINC000309021451 397846633 /nfs/dbraw/zinc/84/66/33/397846633.db2.gz XINZGAQHRARKMM-IRCOFANPSA-N 1 0 208.305 1.836 10 30 BDEERO CC(C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000040233709 167088913 /nfs/dbraw/zinc/08/89/13/167088913.db2.gz UCCZXUHIZAZEGP-UHFFFAOYSA-N 1 0 222.313 1.197 10 30 BDEERO C#CC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260748 166108841 /nfs/dbraw/zinc/10/88/41/166108841.db2.gz JESGGWRVMBFEQD-LLVKDONJSA-N 1 0 220.316 1.191 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]C1CCCCCC1 ZINC000037389756 166182576 /nfs/dbraw/zinc/18/25/76/166182576.db2.gz QFTXBCKQESPFDE-LLVKDONJSA-N 1 0 222.332 1.437 10 30 BDEERO C#CC[NH2+]CCn1ccc2cc(OC)ccc21 ZINC000053527467 166187618 /nfs/dbraw/zinc/18/76/18/166187618.db2.gz IEHPAMBOXLLWBL-UHFFFAOYSA-N 1 0 228.295 1.873 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1cnc2ccccc21 ZINC000053521502 166188864 /nfs/dbraw/zinc/18/88/64/166188864.db2.gz ZWXBZKDPUPBLEU-NSHDSACASA-N 1 0 213.284 1.820 10 30 BDEERO C#CCOc1cc(C[C@@H]([NH3+])CC)ccc1OC ZINC000037728246 166197575 /nfs/dbraw/zinc/19/75/75/166197575.db2.gz JPCGYNQUCBSVPE-LBPRGKRZSA-N 1 0 233.311 1.987 10 30 BDEERO C#CCOc1ccccc1C[NH2+]CCN(C)C ZINC000020083559 166200449 /nfs/dbraw/zinc/20/04/49/166200449.db2.gz YYWHLPKGSRYEHW-UHFFFAOYSA-N 1 0 232.327 1.350 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000237444123 166246286 /nfs/dbraw/zinc/24/62/86/166246286.db2.gz BBMMFOGLUSBNEX-GHMZBOCLSA-N 1 0 210.321 1.599 10 30 BDEERO C=CCN(CC=C)Cc1cc(C[NH2+]CC)no1 ZINC000052376509 166335048 /nfs/dbraw/zinc/33/50/48/166335048.db2.gz JNRMUGRQOOBJLF-UHFFFAOYSA-N 1 0 235.331 1.958 10 30 BDEERO C=CCN1C[C@@H]([NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000019795910 166358546 /nfs/dbraw/zinc/35/85/46/166358546.db2.gz FLZMUGBUVPGDTM-SNVBAGLBSA-N 1 0 219.244 1.601 10 30 BDEERO C=CCNC(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076618890 166390639 /nfs/dbraw/zinc/39/06/39/166390639.db2.gz BQJLALKPHVTCTM-GFCCVEGCSA-N 1 0 236.290 1.560 10 30 BDEERO C=CCCOCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308787820 410745203 /nfs/dbraw/zinc/74/52/03/410745203.db2.gz HBTLWIYXMYKJGS-LLVKDONJSA-N 1 0 215.337 1.576 10 30 BDEERO CC(C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000037473210 167088515 /nfs/dbraw/zinc/08/85/15/167088515.db2.gz MPRWQUSLSGXWBV-UHFFFAOYSA-N 1 0 216.284 1.135 10 30 BDEERO CC(C)OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049260988 167249403 /nfs/dbraw/zinc/24/94/03/167249403.db2.gz GKIJQBNVQQSOPO-UHFFFAOYSA-N 1 0 233.311 1.801 10 30 BDEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)cn1 ZINC000082668131 411152355 /nfs/dbraw/zinc/15/23/55/411152355.db2.gz DMCUXCFYNVGDME-NSHDSACASA-N 1 0 218.304 1.739 10 30 BDEERO C=C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000309506390 411156300 /nfs/dbraw/zinc/15/63/00/411156300.db2.gz NGLVCQAUSJCRND-WDEREUQCSA-N 1 0 210.321 1.457 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@H]1CCCCC1(F)F ZINC000662168448 411371931 /nfs/dbraw/zinc/37/19/31/411371931.db2.gz HBPXXIDRNWFIQA-NXEZZACHSA-N 1 0 219.275 1.948 10 30 BDEERO CCC(=O)Nc1ccc(C#CC[NH3+])cc1C ZINC000037471238 168243835 /nfs/dbraw/zinc/24/38/35/168243835.db2.gz MBJGGJOIOLYMAR-UHFFFAOYSA-N 1 0 216.284 1.654 10 30 BDEERO CC[NH2+]CC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980533 170109886 /nfs/dbraw/zinc/10/98/86/170109886.db2.gz VIVRFIIMRIKLFJ-UHFFFAOYSA-N 1 0 217.272 1.131 10 30 BDEERO CC[NH2+]C[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 ZINC000061981070 170117860 /nfs/dbraw/zinc/11/78/60/170117860.db2.gz HYTPPCREKLSBMM-LLVKDONJSA-N 1 0 245.326 1.767 10 30 BDEERO CCOCC(=O)Nc1ccc(C)c(C#CC[NH3+])c1 ZINC000104069409 170347786 /nfs/dbraw/zinc/34/77/86/170347786.db2.gz QGDIINOOJUWTFS-UHFFFAOYSA-N 1 0 246.310 1.280 10 30 BDEERO CC[C@H](C#N)Oc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516073 171219323 /nfs/dbraw/zinc/21/93/23/171219323.db2.gz SDHPGXGSMLYCGP-SECBINFHSA-N 1 0 235.243 1.734 10 30 BDEERO CC[C@H](C#N)Oc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516630 171219543 /nfs/dbraw/zinc/21/95/43/171219543.db2.gz IPBUKSUQEMYIME-SNVBAGLBSA-N 1 0 249.270 1.995 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C#N)c1 ZINC000037748655 171394931 /nfs/dbraw/zinc/39/49/31/171394931.db2.gz CIASJVKNBGTQMC-GWCFXTLKSA-N 1 0 245.326 1.548 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C#N)cc1 ZINC000037748550 171395545 /nfs/dbraw/zinc/39/55/45/171395545.db2.gz HYKHVIKYMNXVOG-GWCFXTLKSA-N 1 0 245.326 1.548 10 30 BDEERO C[NH+](C)CCCN[C@H](C#N)c1ccccn1 ZINC000019985458 172443560 /nfs/dbraw/zinc/44/35/60/172443560.db2.gz ZDVPDMUFEPVDFY-GFCCVEGCSA-N 1 0 218.304 1.188 10 30 BDEERO CN(Cc1cc(C#N)ccc1F)C(=O)CC[NH3+] ZINC000037811406 172838083 /nfs/dbraw/zinc/83/80/83/172838083.db2.gz WLWSZOYOQVDNFK-UHFFFAOYSA-N 1 0 235.262 1.005 10 30 BDEERO CN1CC[N@H+](CC2(C=O)CCCC2)CC1(C)C ZINC000104138706 173079769 /nfs/dbraw/zinc/07/97/69/173079769.db2.gz MTYFDZCWRHZMPW-UHFFFAOYSA-N 1 0 238.375 1.772 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ncccc1C#N ZINC000071190190 173112330 /nfs/dbraw/zinc/11/23/30/173112330.db2.gz JMGNRXQTPAKMMX-LLVKDONJSA-N 1 0 230.315 1.341 10 30 BDEERO CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000070822056 173143746 /nfs/dbraw/zinc/14/37/46/173143746.db2.gz GQQAPMXQTDVBQN-YNEHKIRRSA-N 1 0 221.348 1.562 10 30 BDEERO C[NH2+]CC(=O)Nc1cc(C#N)ccc1C ZINC000050430459 173332755 /nfs/dbraw/zinc/33/27/55/173332755.db2.gz DKXDOQPHKGLYTH-UHFFFAOYSA-N 1 0 203.245 1.025 10 30 BDEERO C[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050615478 173397476 /nfs/dbraw/zinc/39/74/76/173397476.db2.gz FIOQNRLGEVMIDU-UHFFFAOYSA-N 1 0 214.228 1.328 10 30 BDEERO COCC[N@H+](CCCC#N)[C@H](C)COC ZINC000042266270 174291176 /nfs/dbraw/zinc/29/11/76/174291176.db2.gz FYVVZXRAVKOGSF-LLVKDONJSA-N 1 0 214.309 1.273 10 30 BDEERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054598536 174334989 /nfs/dbraw/zinc/33/49/89/174334989.db2.gz KDLAMWRBYIJGGT-KGLIPLIRSA-N 1 0 230.311 1.898 10 30 BDEERO COCC[NH2+]C[C@H]1CCCN(CCCC#N)C1 ZINC000104427955 174335110 /nfs/dbraw/zinc/33/51/10/174335110.db2.gz BBEVSSGBFZZFDS-CYBMUJFWSA-N 1 0 239.363 1.238 10 30 BDEERO COCCOCC[NH2+][C@@H]1CCCCC[C@H]1C#N ZINC000054827925 174358524 /nfs/dbraw/zinc/35/85/24/174358524.db2.gz HFYUFCYBOWVDKI-QWHCGFSZSA-N 1 0 240.347 1.711 10 30 BDEERO COc1ccc(C(NC(C)(C)C)=[NH+]N)cc1F ZINC000061669665 175045261 /nfs/dbraw/zinc/04/52/61/175045261.db2.gz CMWFPKITKDIGIS-UHFFFAOYSA-N 1 0 239.294 1.843 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1COC(C)C ZINC000049610744 175051253 /nfs/dbraw/zinc/05/12/53/175051253.db2.gz AAGLMNIVTDFGSH-UHFFFAOYSA-N 1 0 233.311 1.930 10 30 BDEERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@@H](C)C#N ZINC000043098321 175353175 /nfs/dbraw/zinc/35/31/75/175353175.db2.gz XEWOOAFJPLDRSA-AAEUAGOBSA-N 1 0 247.342 1.786 10 30 BDEERO C[C@@H](C[NH3+])N(C)c1ccc(C#N)c(Cl)c1 ZINC000335607551 175709794 /nfs/dbraw/zinc/70/97/94/175709794.db2.gz GTQLEXZJCAYEHT-QMMMGPOBSA-N 1 0 223.707 1.995 10 30 BDEERO C[C@@H]([NH3+])c1ccc(-n2cnc(C#N)n2)cc1 ZINC000061842257 175816718 /nfs/dbraw/zinc/81/67/18/175816718.db2.gz UAUGTPKVXWRRQQ-MRVPVSSYSA-N 1 0 213.244 1.159 10 30 BDEERO C[C@@H](S)[C@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083663900 176007141 /nfs/dbraw/zinc/00/71/41/176007141.db2.gz SFSPDSYQCYNMPH-RDDDGLTNSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1[NH+](C)C ZINC000251702152 176321489 /nfs/dbraw/zinc/32/14/89/176321489.db2.gz IYKUBQJGWGIBBG-ZYHUDNBSSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C#N)cc1 ZINC000310313286 176502050 /nfs/dbraw/zinc/50/20/50/176502050.db2.gz UMQNAEBURSPMLF-BXKDBHETSA-N 1 0 229.283 1.120 10 30 BDEERO C[C@@](N)(C#N)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045177220 176510028 /nfs/dbraw/zinc/51/00/28/176510028.db2.gz NHOVOEXVXLPVOL-CHWSQXEVSA-N 1 0 221.348 1.882 10 30 BDEERO C[C@H](CC#N)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000050392375 176597231 /nfs/dbraw/zinc/59/72/31/176597231.db2.gz BNSDRYFWVZXFKC-PWSUYJOCSA-N 1 0 231.299 1.495 10 30 BDEERO C[C@H](CCC[NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000076614362 176620208 /nfs/dbraw/zinc/62/02/08/176620208.db2.gz NHALPTBQGZIJKM-SNVBAGLBSA-N 1 0 231.299 1.872 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)cc1F ZINC000082640331 176660893 /nfs/dbraw/zinc/66/08/93/176660893.db2.gz HLBDPYAVARDUSQ-MRVPVSSYSA-N 1 0 207.252 1.481 10 30 BDEERO C[C@H](S)c1nnc(C2CC[NH2+]CC2)o1 ZINC000083347535 177026075 /nfs/dbraw/zinc/02/60/75/177026075.db2.gz VUPLRJIBTNJGPK-LURJTMIESA-N 1 0 213.306 1.527 10 30 BDEERO C[C@H](S)[C@H]1[NH2+]CCc2cc(O)ccc21 ZINC000083660564 177026366 /nfs/dbraw/zinc/02/63/66/177026366.db2.gz KMIHISHJGUSROS-WRWORJQWSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H](S)c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000083347541 177026405 /nfs/dbraw/zinc/02/64/05/177026405.db2.gz CSBRTKHEGXPAPJ-BQBZGAKWSA-N 1 0 213.306 1.527 10 30 BDEERO C[C@H](c1ccc(C#N)cc1)N(C)CC[NH3+] ZINC000054416711 177032096 /nfs/dbraw/zinc/03/20/96/177032096.db2.gz KASWZBQNGMLPNY-SNVBAGLBSA-N 1 0 203.289 1.510 10 30 BDEERO C[C@H]1CCC[C@](C#N)(N2CC[NH2+]CC2)C1 ZINC000019393408 177143799 /nfs/dbraw/zinc/14/37/99/177143799.db2.gz ITLPYIVYVKYOMV-RYUDHWBXSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000052299609 177384591 /nfs/dbraw/zinc/38/45/91/177384591.db2.gz LMCFHQIIMRLELQ-TVQRCGJNSA-N 1 0 246.285 1.274 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000281513899 177393004 /nfs/dbraw/zinc/39/30/04/177393004.db2.gz AGFWVXXVURVFDB-MFKMUULPSA-N 1 0 243.310 1.315 10 30 BDEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H](C)[NH3+] ZINC000037043417 177605313 /nfs/dbraw/zinc/60/53/13/177605313.db2.gz NQJRQGJFXHPAQS-ZETCQYMHSA-N 1 0 221.235 1.292 10 30 BDEERO Cc1cc(N2CCC[C@@H]2C[NH3+])cc(C#N)n1 ZINC000308239216 229225399 /nfs/dbraw/zinc/22/53/99/229225399.db2.gz KVCWPOKIXHFTEN-LLVKDONJSA-N 1 0 216.288 1.189 10 30 BDEERO Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])cc(C#N)n1 ZINC000308246799 229225703 /nfs/dbraw/zinc/22/57/03/229225703.db2.gz ZRIFATHRZDJAHA-GWCFXTLKSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(N[C@@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308245991 229422003 /nfs/dbraw/zinc/42/20/03/229422003.db2.gz UJFBXAUDPBLMCB-SNVBAGLBSA-N 1 0 216.288 1.426 10 30 BDEERO Cc1cc(C#N)nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311191567 267316439 /nfs/dbraw/zinc/31/64/39/267316439.db2.gz FUVXKUFWWQGXNM-NOZJJQNGSA-N 1 0 245.330 1.078 10 30 BDEERO C=C1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000382549640 487935921 /nfs/dbraw/zinc/93/59/21/487935921.db2.gz DAKYKBQSNYUHCM-NEPJUHHUSA-N 1 0 222.332 1.553 10 30 BDEERO C=CCN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000131273696 325133730 /nfs/dbraw/zinc/13/37/30/325133730.db2.gz QIJDFAPUJUDPRC-GFCCVEGCSA-N 1 0 208.305 1.306 10 30 BDEERO C=C(C)COCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000155637256 326204793 /nfs/dbraw/zinc/20/47/93/326204793.db2.gz KBMLHWQWZDHBTM-GFCCVEGCSA-N 1 0 242.363 1.426 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251829034 488064254 /nfs/dbraw/zinc/06/42/54/488064254.db2.gz ZAANQHJDQVWCEL-FRRDWIJNSA-N 1 0 232.331 1.944 10 30 BDEERO COCC#CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000677820421 487517870 /nfs/dbraw/zinc/51/78/70/487517870.db2.gz MRVMIFSBMVKRNA-ZIAGYGMSSA-N 1 0 237.343 1.263 10 30 BDEERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000320143629 491122622 /nfs/dbraw/zinc/12/26/22/491122622.db2.gz SPGDXBYPJNOSBQ-YUMQZZPRSA-N 1 0 249.274 1.399 10 30 BDEERO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308241148 534002903 /nfs/dbraw/zinc/00/29/03/534002903.db2.gz ODSKDONSLLTDKZ-WDEREUQCSA-N 1 0 230.315 1.944 10 30 BDEERO C=CC[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000117037506 534339194 /nfs/dbraw/zinc/33/91/94/534339194.db2.gz JZCGPYJWWDBAIR-RYUDHWBXSA-N 1 0 239.363 1.735 10 30 BDEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCNC1=O ZINC000336678221 534802170 /nfs/dbraw/zinc/80/21/70/534802170.db2.gz CHVQMEGKKRCIOF-NWDGAFQWSA-N 1 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PQZFXKRJYDFEJF-CHWSQXEVSA-N 1 0 249.358 1.671 10 30 BDEERO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000300361795 592508668 /nfs/dbraw/zinc/50/86/68/592508668.db2.gz ARBOZNDYPHVVKU-NNYUYHANSA-N 1 0 208.305 1.836 10 30 BDEERO C#CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000069768714 631278008 /nfs/dbraw/zinc/27/80/08/631278008.db2.gz RQVMBOAWTFZZCX-UHFFFAOYSA-N 1 0 217.268 1.571 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000061892591 641004971 /nfs/dbraw/zinc/00/49/71/641004971.db2.gz YNIIVLGIMUGBBT-SDDRHHMPSA-N 1 0 206.289 1.961 10 30 BDEERO C#CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000231637371 641190024 /nfs/dbraw/zinc/19/00/24/641190024.db2.gz RTNQEPVSXXCKDE-STQMWFEESA-N 1 0 206.333 1.568 10 30 BDEERO C#CCCCNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174238082 641259035 /nfs/dbraw/zinc/25/90/35/641259035.db2.gz RKGFOFQHKMZWFS-GFCCVEGCSA-N 1 0 237.347 1.183 10 30 BDEERO C#CCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000069767972 642902772 /nfs/dbraw/zinc/90/27/72/642902772.db2.gz ZOKXXSKOGQOBKS-UHFFFAOYSA-N 1 0 207.248 1.947 10 30 BDEERO CC(C)C[C@H](C[NH+](C)C)Nc1cnc(C#N)cn1 ZINC000071178007 643106419 /nfs/dbraw/zinc/10/64/19/643106419.db2.gz MDMSXBJFBMEHIN-LLVKDONJSA-N 1 0 247.346 1.736 10 30 BDEERO C[C@H](C[NH3+])N(C)c1nc(Cl)c(C#N)s1 ZINC000307593530 643516269 /nfs/dbraw/zinc/51/62/69/643516269.db2.gz HLBIUFJSTFZVAY-RXMQYKEDSA-N 1 0 230.724 1.452 10 30 BDEERO CC1(C)C[NH2+]C[C@H]1Nc1cccnc1C#N ZINC000721937193 711941085 /nfs/dbraw/zinc/94/10/85/711941085.db2.gz GBDGTKHIGVCSHW-LLVKDONJSA-N 1 0 216.288 1.363 10 30 BDEERO C#CC[C@@H](COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000716338944 712555326 /nfs/dbraw/zinc/55/53/26/712555326.db2.gz BDTSQXTZWGXBPQ-QWRGUYRKSA-N 1 0 213.321 1.021 10 30 BDEERO C#CCCCCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000720609221 712858256 /nfs/dbraw/zinc/85/82/56/712858256.db2.gz GNDYARYGGMBREQ-LLVKDONJSA-N 1 0 220.320 1.659 10 30 BDEERO Cc1nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1C#N ZINC000723912379 710734356 /nfs/dbraw/zinc/73/43/56/710734356.db2.gz NJPDYMMPZQUOEZ-ZWNOBZJWSA-N 1 0 244.342 1.683 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CC1 ZINC000715028424 711531079 /nfs/dbraw/zinc/53/10/79/711531079.db2.gz ZPOLXYOKWZDXCV-JQWIXIFHSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1nc(NC[C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000723785921 711537338 /nfs/dbraw/zinc/53/73/38/711537338.db2.gz OVKCAABXFNYCCS-SKDRFNHKSA-N 1 0 230.315 1.529 10 30 BDEERO C[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1CC[NH3+] ZINC000723894572 711543983 /nfs/dbraw/zinc/54/39/83/711543983.db2.gz MXNXZMCWTJLYLT-ZYHUDNBSSA-N 1 0 230.315 1.374 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1nccc(C)c1C#N ZINC000135199219 711596266 /nfs/dbraw/zinc/59/62/66/711596266.db2.gz VKZILYKLNRQTMV-LBPRGKRZSA-N 1 0 244.342 1.840 10 30 BDEERO CCN(c1nccc(C)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000135200515 711596489 /nfs/dbraw/zinc/59/64/89/711596489.db2.gz LGPGKMIRHQFQHH-LLVKDONJSA-N 1 0 230.315 1.450 10 30 BDEERO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000310808836 711678355 /nfs/dbraw/zinc/67/83/55/711678355.db2.gz BAHGSSFXVVVAQT-DGCLKSJQSA-N 1 0 248.330 1.486 10 30 BDEERO CC1(C)C[NH2+]C[C@@H]1Nc1ncccc1C#N ZINC000721943622 711945177 /nfs/dbraw/zinc/94/51/77/711945177.db2.gz RNDUDXZRFUWKAJ-JTQLQIEISA-N 1 0 216.288 1.363 10 30 BDEERO C[C@H](CC(C)(C)C#N)[NH2+]C1CC(CO)C1 ZINC000705080956 712122345 /nfs/dbraw/zinc/12/23/45/712122345.db2.gz PWGOHDHOQBASNY-KPPDAEKUSA-N 1 0 210.321 1.675 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709917043 712232699 /nfs/dbraw/zinc/23/26/99/712232699.db2.gz VGCLBQAVKGKPSK-ONGXEEELSA-N 1 0 221.329 1.967 10 30 BDEERO CCC1([NH3+])CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000714753356 712497323 /nfs/dbraw/zinc/49/73/23/712497323.db2.gz ZFICLXAWZAXBNT-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO CC1(C)CN(c2ccnc(C#N)c2)C[C@H]1[NH3+] ZINC000720749895 712863637 /nfs/dbraw/zinc/86/36/37/712863637.db2.gz WLJBFMQGBKVWFY-LLVKDONJSA-N 1 0 216.288 1.127 10 30 BDEERO Cc1cc(C#N)cc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721028568 712887448 /nfs/dbraw/zinc/88/74/48/712887448.db2.gz QSZAHOXTORKOEY-ZWNOBZJWSA-N 1 0 244.342 1.919 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cnc(C#N)cn1 ZINC000721092545 712890453 /nfs/dbraw/zinc/89/04/53/712890453.db2.gz BOAHRDGDKGJZGH-NXEZZACHSA-N 1 0 231.303 1.006 10 30 BDEERO CC[N+](C)(CC)CC(=O)NCc1ccco1 ZINC000001855671 717091028 /nfs/dbraw/zinc/09/10/28/717091028.db2.gz FYUHGPALHBIUAV-UHFFFAOYSA-O 1 0 225.312 1.382 10 30 BDEERO O=C(C[N+]12CCN(CC1)CC2)c1ccc(F)cc1 ZINC000007613153 717105388 /nfs/dbraw/zinc/10/53/88/717105388.db2.gz YYNINKYRNIHLGR-UHFFFAOYSA-N 1 0 249.309 1.154 10 30 BDEERO C=CCOCC[NH2+]C[C@H](O)C(C)(C)C ZINC000379486583 398148923 /nfs/dbraw/zinc/14/89/23/398148923.db2.gz JHBSDKWCHBHEGY-JTQLQIEISA-N 1 0 201.310 1.186 10 30 BDEERO C=C(Br)CS/C(NC)=[NH+]/C ZINC000060511433 398151311 /nfs/dbraw/zinc/15/13/11/398151311.db2.gz BRNXQSCRJHGINR-UHFFFAOYSA-N 1 0 223.139 1.833 10 30 BDEERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000308273090 178117596 /nfs/dbraw/zinc/11/75/96/178117596.db2.gz SRDKTLVAPSZRSI-GFCCVEGCSA-N 1 0 230.315 1.402 10 30 BDEERO CN1CC[NH2+]C[C@H]1c1ccccc1C#N ZINC000616637757 398213620 /nfs/dbraw/zinc/21/36/20/398213620.db2.gz QEACLDCANCVMLF-LBPRGKRZSA-N 1 0 201.273 1.134 10 30 BDEERO C[C@@H]1CN(c2ccncc2C#N)C[C@@]1(C)C[NH3+] ZINC000398991177 398243260 /nfs/dbraw/zinc/24/32/60/398243260.db2.gz LPIPTJPLZRGDPC-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO Cc1ccc(C#N)cc1NC(=O)[C@H](C)[NH3+] ZINC000050430427 178367781 /nfs/dbraw/zinc/36/77/81/178367781.db2.gz BXWKNXDEBHGOTB-QMMMGPOBSA-N 1 0 203.245 1.152 10 30 BDEERO Cc1ccc(C#N)c(OCCC[NH+](C)C)n1 ZINC000043400644 178365786 /nfs/dbraw/zinc/36/57/86/178365786.db2.gz UYNRSROYFOZCNM-UHFFFAOYSA-N 1 0 219.288 1.592 10 30 BDEERO Cc1ccc(C#N)c(OC[C@H]2CCC[NH2+]2)c1 ZINC000051866420 178365836 /nfs/dbraw/zinc/36/58/36/178365836.db2.gz CRACSPMMLYQXSX-GFCCVEGCSA-N 1 0 216.284 1.998 10 30 BDEERO Cc1cc(C#N)cc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320684295 342736116 /nfs/dbraw/zinc/73/61/16/342736116.db2.gz LUCPAIUQUQRPLQ-DTWKUNHWSA-N 1 0 218.304 1.799 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000380132796 538985830 /nfs/dbraw/zinc/98/58/30/538985830.db2.gz TYXJCLJZHLBTJZ-WOPDTQHZSA-N 1 0 213.321 1.328 10 30 BDEERO C=CCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000381559120 539003828 /nfs/dbraw/zinc/00/38/28/539003828.db2.gz QLTDXNIIQLKUDZ-QWHCGFSZSA-N 1 0 224.348 1.799 10 30 BDEERO C#C[C@@H](CC)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000229896455 342853307 /nfs/dbraw/zinc/85/33/07/342853307.db2.gz VHIWDSVJSAAQJV-JTQLQIEISA-N 1 0 238.331 1.607 10 30 BDEERO N[NH+]=C(N)Cc1ccc(Cl)c(Cl)c1 ZINC000059783049 342863047 /nfs/dbraw/zinc/86/30/47/342863047.db2.gz VYQKDPBRIGIDJV-UHFFFAOYSA-N 1 0 218.087 1.767 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000602594648 349642886 /nfs/dbraw/zinc/64/28/86/349642886.db2.gz ZEECIYXBDSYYKY-GMTAPVOTSA-N 1 0 223.320 1.135 10 30 BDEERO N#C[C@@H]1CCC[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC000602827820 349765437 /nfs/dbraw/zinc/76/54/37/349765437.db2.gz DLPRNGIATCNLBJ-CYZMBNFOSA-N 1 0 247.342 1.422 10 30 BDEERO N#Cc1cc(F)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000215550155 343370889 /nfs/dbraw/zinc/37/08/89/343370889.db2.gz QHXYXVXYGXVZSY-RNCFNFMXSA-N 1 0 231.274 1.495 10 30 BDEERO C=C(C)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917541 136363964 /nfs/dbraw/zinc/36/39/64/136363964.db2.gz WNSNKBBKSYKFIZ-UHFFFAOYSA-N 1 0 248.374 1.504 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000234391795 343456612 /nfs/dbraw/zinc/45/66/12/343456612.db2.gz VVQJHPJQGFESRA-JXUBOQSCSA-N 1 0 215.387 1.833 10 30 BDEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000095081823 166187418 /nfs/dbraw/zinc/18/74/18/166187418.db2.gz ZEBWUETXLGDHJY-JTQLQIEISA-N 1 0 234.274 1.226 10 30 BDEERO C=C(C)CNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000187897837 259370728 /nfs/dbraw/zinc/37/07/28/259370728.db2.gz WAFFQGUEQLPVKQ-LLVKDONJSA-N 1 0 225.336 1.346 10 30 BDEERO C#CCn1cc(C[NH3+])c(-c2ccncc2)n1 ZINC000409439951 343854086 /nfs/dbraw/zinc/85/40/86/343854086.db2.gz QYPIHXBMPHSDBZ-UHFFFAOYSA-N 1 0 212.256 1.037 10 30 BDEERO N#C[C@@H](c1ccc(F)cc1)N1CC(C[NH3+])C1 ZINC000409440880 343856207 /nfs/dbraw/zinc/85/62/07/343856207.db2.gz MMYQVQLVAMECHU-LBPRGKRZSA-N 1 0 219.263 1.281 10 30 BDEERO C[C@@](C#N)(Cc1ccccc1)N1CC([NH3+])C1 ZINC000409438104 343849731 /nfs/dbraw/zinc/84/97/31/343849731.db2.gz CBNAMEYRILVJKD-ZDUSSCGKSA-N 1 0 215.300 1.154 10 30 BDEERO C#CCn1nc(-c2ccccc2)cc1C[NH3+] ZINC000409443175 343866020 /nfs/dbraw/zinc/86/60/20/343866020.db2.gz IGCFOMQFRMTQFF-UHFFFAOYSA-N 1 0 211.268 1.642 10 30 BDEERO C#CCn1nc(-c2ccccn2)cc1CC[NH3+] ZINC000409443389 343867232 /nfs/dbraw/zinc/86/72/32/343867232.db2.gz MBISUMOMSHWLHT-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO C=C(Cl)CO[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000307670538 343950237 /nfs/dbraw/zinc/95/02/37/343950237.db2.gz VARUEZYBJMAZTD-LADJIXMOSA-N 1 0 213.708 1.752 10 30 BDEERO C=CCCCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755906 344216758 /nfs/dbraw/zinc/21/67/58/344216758.db2.gz JXCJCPCNQFWJES-JSGCOSHPSA-N 1 0 236.359 1.801 10 30 BDEERO [NH3+]CCN1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000247744728 344391738 /nfs/dbraw/zinc/39/17/38/344391738.db2.gz PEAIAIUAWWIIPW-WDEREUQCSA-N 1 0 214.378 1.367 10 30 BDEERO Cc1cc(N2CCCCC[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000600958307 344461790 /nfs/dbraw/zinc/46/17/90/344461790.db2.gz FLXUUNRURUYRMZ-GFCCVEGCSA-N 1 0 244.342 1.969 10 30 BDEERO C=CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037184958 344494079 /nfs/dbraw/zinc/49/40/79/344494079.db2.gz HPPVAHXAJNREQK-SECBINFHSA-N 1 0 240.328 1.171 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000158168507 344558392 /nfs/dbraw/zinc/55/83/92/344558392.db2.gz IYRNJNJHXSHQEP-LLVKDONJSA-N 1 0 231.303 1.244 10 30 BDEERO CC[C@@H]1CN(c2ncccc2C#N)CC[C@H]1[NH3+] ZINC000251888773 344596440 /nfs/dbraw/zinc/59/64/40/344596440.db2.gz VVNPWXKBEAUPAI-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C#C[C@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000166428588 344894821 /nfs/dbraw/zinc/89/48/21/344894821.db2.gz GGRAVRIKFWIQCD-VIFPVBQESA-N 1 0 224.304 1.217 10 30 BDEERO CC#CCC[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000155355370 345078615 /nfs/dbraw/zinc/07/86/15/345078615.db2.gz QRKYCVIXBXNLNW-CYBMUJFWSA-N 1 0 236.359 1.781 10 30 BDEERO C[C@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000082575705 345439071 /nfs/dbraw/zinc/43/90/71/345439071.db2.gz NVJQIWDBKOCATF-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO Cc1ccc([C@H](C[NH3+])n2cnc(C#N)n2)s1 ZINC000061841864 178905363 /nfs/dbraw/zinc/90/53/63/178905363.db2.gz GHCVUULPUXKZOK-QMMMGPOBSA-N 1 0 233.300 1.068 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000300360362 345801688 /nfs/dbraw/zinc/80/16/88/345801688.db2.gz XOKFHYBAKMVQPT-RVMXOQNASA-N 1 0 222.332 1.819 10 30 BDEERO N#Cc1c(F)cccc1NC[C@H]1COCC[NH2+]1 ZINC000236155294 346200258 /nfs/dbraw/zinc/20/02/58/346200258.db2.gz DJMYHVLHRLWMMZ-VIFPVBQESA-N 1 0 235.262 1.098 10 30 BDEERO C=C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034329795 346248313 /nfs/dbraw/zinc/24/83/13/346248313.db2.gz BFYGMFJYMANSGU-CYBMUJFWSA-N 1 0 202.301 1.646 10 30 BDEERO Cn1cc(CC#N)c(C[NH+]2CCCCCC2)n1 ZINC000675054807 537975150 /nfs/dbraw/zinc/97/51/50/537975150.db2.gz ULEWCGONDCPVBX-UHFFFAOYSA-N 1 0 232.331 1.862 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381835356 346536803 /nfs/dbraw/zinc/53/68/03/346536803.db2.gz XYSNDVVNDQQUKG-IUCAKERBSA-N 1 0 204.277 1.409 10 30 BDEERO C[C@@H](CC#N)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000063093354 347506877 /nfs/dbraw/zinc/50/68/77/347506877.db2.gz HRFUFPCSUNYZIN-WDEREUQCSA-N 1 0 223.320 1.137 10 30 BDEERO N#CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569075 347521681 /nfs/dbraw/zinc/52/16/81/347521681.db2.gz GAYSOLRUODCMLJ-OLZOCXBDSA-N 1 0 243.310 1.162 10 30 BDEERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(CC#N)CC#N ZINC000043034076 179328415 /nfs/dbraw/zinc/32/84/15/179328415.db2.gz VKDGTECCGMLWDA-TZMCWYRMSA-N 1 0 242.326 1.732 10 30 BDEERO Cc1cc(N(C)CC(C)(C)[NH3+])cc(C#N)n1 ZINC000594691969 348099897 /nfs/dbraw/zinc/09/98/97/348099897.db2.gz FJSAAIOCULTCQY-UHFFFAOYSA-N 1 0 218.304 1.435 10 30 BDEERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(C#N)cc1 ZINC000595103963 348196034 /nfs/dbraw/zinc/19/60/34/348196034.db2.gz POXQUMDSNCGSCF-JKDOVBDQSA-N 1 0 230.311 1.980 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS ZINC000251801545 362925117 /nfs/dbraw/zinc/92/51/17/362925117.db2.gz NZCRCROJLBLJJN-ZJUUUORDSA-N 1 0 200.351 1.085 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1ccncc1C#N ZINC000596030147 348425948 /nfs/dbraw/zinc/42/59/48/348425948.db2.gz LKYWFQSQYOMIQF-LLVKDONJSA-N 1 0 218.304 1.160 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000596033861 348428041 /nfs/dbraw/zinc/42/80/41/348428041.db2.gz WTIDVUVVZZHTOX-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CO1 ZINC000597083259 348659298 /nfs/dbraw/zinc/65/92/98/348659298.db2.gz QRPBTHHITMTFTE-WRWGMCAJSA-N 1 0 208.305 1.836 10 30 BDEERO N#Cc1c(C[NH3+])cccc1OC(F)(F)F ZINC000616575353 349083782 /nfs/dbraw/zinc/08/37/82/349083782.db2.gz BQTAUZGPHSMBCL-UHFFFAOYSA-N 1 0 216.162 1.916 10 30 BDEERO Cc1nc(NCCC[NH3+])c(Cl)cc1C#N ZINC000309129702 180017400 /nfs/dbraw/zinc/01/74/00/180017400.db2.gz QUPZOEZDWZYSHE-UHFFFAOYSA-N 1 0 224.695 1.676 10 30 BDEERO Cc1nc(N[C@@H](C)CCC[NH3+])ccc1C#N ZINC000309343471 180022297 /nfs/dbraw/zinc/02/22/97/180022297.db2.gz XXNKJVHLTFPPMU-VIFPVBQESA-N 1 0 218.304 1.801 10 30 BDEERO N#Cc1ccnc([S@@](=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000095073470 191054495 /nfs/dbraw/zinc/05/44/95/191054495.db2.gz JSNSJYDNJBCRIS-PIGZYNQJSA-N 1 0 249.339 1.203 10 30 BDEERO Cc1nccn1Cc1ccc(C#CC[NH3+])cc1 ZINC000049610086 180269068 /nfs/dbraw/zinc/26/90/68/180269068.db2.gz NSQSEIUVFAKACK-UHFFFAOYSA-N 1 0 225.295 1.550 10 30 BDEERO Cc1nn(C)c(OCC[C@H]2CCC[NH2+]C2)c1C#N ZINC000104309489 180360246 /nfs/dbraw/zinc/36/02/46/180360246.db2.gz XTBKHLFQRUEGTI-LLVKDONJSA-N 1 0 248.330 1.369 10 30 BDEERO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)C2)c1C#N ZINC000111350187 180358081 /nfs/dbraw/zinc/35/80/81/180358081.db2.gz IJSBZEHSYOZKIM-LLVKDONJSA-N 1 0 247.346 1.354 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382471696 350839316 /nfs/dbraw/zinc/83/93/16/350839316.db2.gz QEUQYFMEUKDPDZ-PWSUYJOCSA-N 1 0 230.315 1.801 10 30 BDEERO CC(C)(C=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000306675180 350826151 /nfs/dbraw/zinc/82/61/51/350826151.db2.gz SAQBOIJJJHJLCC-UHFFFAOYSA-N 1 0 213.321 1.712 10 30 BDEERO C[C@H](CC#N)N(C)C(=[NH2+])NCc1ccccc1 ZINC000306676674 350828945 /nfs/dbraw/zinc/82/89/45/350828945.db2.gz WUHCCNSOSVYVTC-LLVKDONJSA-N 1 0 230.315 1.945 10 30 BDEERO CC(C)[C@]1(C(=O)C2=COCC2)CC[NH2+]C1 ZINC000306737688 350910539 /nfs/dbraw/zinc/91/05/39/350910539.db2.gz ZJJURZFCGYJDGS-LBPRGKRZSA-N 1 0 209.289 1.495 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000228684262 351044396 /nfs/dbraw/zinc/04/43/96/351044396.db2.gz BCACKXZXWNWWNV-YFKTTZPYSA-N 1 0 207.317 1.978 10 30 BDEERO Cc1nc(N(C)[C@@H](C)C[NH3+])c(Cl)cc1C#N ZINC000382981885 351121395 /nfs/dbraw/zinc/12/13/95/351121395.db2.gz ZMHXBUJNDCYFEA-ZETCQYMHSA-N 1 0 238.722 1.699 10 30 BDEERO C=C[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000306851399 351174757 /nfs/dbraw/zinc/17/47/57/351174757.db2.gz QLAWOWODVCBWRY-LLVKDONJSA-N 1 0 208.330 1.880 10 30 BDEERO SCC[N@@H+]1CCOCC12CCCC2 ZINC000307008687 351416576 /nfs/dbraw/zinc/41/65/76/351416576.db2.gz HJRNTVMMIQVUNO-UHFFFAOYSA-N 1 0 201.335 1.561 10 30 BDEERO C#CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000307086233 351470647 /nfs/dbraw/zinc/47/06/47/351470647.db2.gz YLYCJMBVMFNOPP-HIFRSBDPSA-N 1 0 228.339 1.872 10 30 BDEERO Cc1cc(C#N)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000231943073 351475333 /nfs/dbraw/zinc/47/53/33/351475333.db2.gz PQHAMFRGZXIYIC-JTQLQIEISA-N 1 0 219.292 1.052 10 30 BDEERO CC#CC[C@@H]([NH3+])c1ncncc1Br ZINC000307238799 351728039 /nfs/dbraw/zinc/72/80/39/351728039.db2.gz ZTDNPQCHGBCFCA-MRVPVSSYSA-N 1 0 240.104 1.652 10 30 BDEERO C=C(Br)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000307241245 351746479 /nfs/dbraw/zinc/74/64/79/351746479.db2.gz RDDKNSABZIPJKG-DTWKUNHWSA-N 1 0 233.153 1.577 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000638471505 352282518 /nfs/dbraw/zinc/28/25/18/352282518.db2.gz FSLSWESDVXWJBV-XQQFMLRXSA-N 1 0 236.359 1.799 10 30 BDEERO C=CC[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000638472355 352284929 /nfs/dbraw/zinc/28/49/29/352284929.db2.gz QVAZOVUPIKWPMP-HIFPTAJRSA-N 1 0 236.359 1.929 10 30 BDEERO CNC(Nc1cccc(C)c1Cl)=[NH+]N ZINC000300949998 363177376 /nfs/dbraw/zinc/17/73/76/363177376.db2.gz ZISGFGJARNOTTN-UHFFFAOYSA-N 1 0 212.684 1.509 10 30 BDEERO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000044825279 352442830 /nfs/dbraw/zinc/44/28/30/352442830.db2.gz AXIPQRBEJMSDAB-WDEREUQCSA-N 1 0 223.320 1.137 10 30 BDEERO C=CCN(Cc1ccc(C)cc1)C(=O)CC[NH3+] ZINC000033464770 166346398 /nfs/dbraw/zinc/34/63/98/166346398.db2.gz URMNKFFZJCPNRE-UHFFFAOYSA-N 1 0 232.327 1.858 10 30 BDEERO C=CC[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000033465988 187720386 /nfs/dbraw/zinc/72/03/86/187720386.db2.gz LYKDAXWTGUEKPD-GFCCVEGCSA-N 1 0 237.299 1.513 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCCCO ZINC000229125600 352591460 /nfs/dbraw/zinc/59/14/60/352591460.db2.gz FCJCTBAZOLXIEO-RYUDHWBXSA-N 1 0 210.321 1.821 10 30 BDEERO C#CC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037184905 187805453 /nfs/dbraw/zinc/80/54/53/187805453.db2.gz UNRUJZIXYNDBPK-UHFFFAOYSA-N 1 0 215.256 1.701 10 30 BDEERO NC(=[NH2+])NN=Cc1sccc1Cl ZINC000307629959 352711949 /nfs/dbraw/zinc/71/19/49/352711949.db2.gz NPXWDMGWZGGVMQ-XCVCLJGOSA-N 1 0 202.670 1.218 10 30 BDEERO CSCC1CCC(N/C(N)=[NH+]/O)CC1 ZINC000306812134 353040462 /nfs/dbraw/zinc/04/04/62/353040462.db2.gz YKACVGGEMXODCJ-UHFFFAOYSA-N 1 0 217.338 1.202 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336754553 353145591 /nfs/dbraw/zinc/14/55/91/353145591.db2.gz IHHNXDKMKAFHGP-YFKTTZPYSA-N 1 0 208.305 1.836 10 30 BDEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccccc1F ZINC000057527088 166372202 /nfs/dbraw/zinc/37/22/02/166372202.db2.gz BROGADPRXDUXNT-JTQLQIEISA-N 1 0 236.290 1.560 10 30 BDEERO CC(=O)NCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000383472481 353246423 /nfs/dbraw/zinc/24/64/23/353246423.db2.gz DZUQGBBIWMJOTP-RYUDHWBXSA-N 1 0 223.320 1.185 10 30 BDEERO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000383472477 353246601 /nfs/dbraw/zinc/24/66/01/353246601.db2.gz DZUQGBBIWMJOTP-NWDGAFQWSA-N 1 0 223.320 1.185 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000076611875 166374650 /nfs/dbraw/zinc/37/46/50/166374650.db2.gz FYVHSNYKMBCBSN-GFCCVEGCSA-N 1 0 224.348 1.834 10 30 BDEERO C=CCC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000132945535 353389487 /nfs/dbraw/zinc/38/94/87/353389487.db2.gz GZDHORFKCCDPFJ-UHFFFAOYSA-N 1 0 246.358 1.873 10 30 BDEERO C=C(Br)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282208680 353466780 /nfs/dbraw/zinc/46/67/80/353466780.db2.gz DFNREUVTRNCMDH-YUMQZZPRSA-N 1 0 247.136 1.152 10 30 BDEERO N#CC1(NCc2cccs2)CC[NH2+]CC1 ZINC000040695169 181030212 /nfs/dbraw/zinc/03/02/12/181030212.db2.gz OZKZCYLZBQUNPS-UHFFFAOYSA-N 1 0 221.329 1.483 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1nnc(C)c(C)c1C#N ZINC000130554671 363270945 /nfs/dbraw/zinc/27/09/45/363270945.db2.gz SGYRMKLERPAPCB-LLVKDONJSA-N 1 0 247.346 1.895 10 30 BDEERO N#CCN(CC#N)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042971059 181040250 /nfs/dbraw/zinc/04/02/50/181040250.db2.gz SHPZYANODCEFSX-GFCCVEGCSA-N 1 0 232.262 1.175 10 30 BDEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825985 181058371 /nfs/dbraw/zinc/05/83/71/181058371.db2.gz NFDKXEHFLOCQFJ-MVKMKZAISA-N 1 0 249.358 1.702 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000054827338 181059833 /nfs/dbraw/zinc/05/98/33/181059833.db2.gz SAGLGQIWNSXHOV-STQMWFEESA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H]1CCCCC[C@@H]1[NH+]1CCC(O)CC1 ZINC000037146293 181067711 /nfs/dbraw/zinc/06/77/11/181067711.db2.gz HEYBOYVRZJLJHJ-YPMHNXCESA-N 1 0 222.332 1.916 10 30 BDEERO N#Cc1c(F)cccc1OC[C@H]1CCC[NH2+]1 ZINC000051866200 181077550 /nfs/dbraw/zinc/07/75/50/181077550.db2.gz YFQHOYPIYWUIJU-SECBINFHSA-N 1 0 220.247 1.828 10 30 BDEERO N#Cc1cc(Cl)ccc1NCCC[NH3+] ZINC000052858803 181087097 /nfs/dbraw/zinc/08/70/97/181087097.db2.gz IAKZWJGLOQQFQM-UHFFFAOYSA-N 1 0 209.680 1.972 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C1 ZINC000051867964 181093264 /nfs/dbraw/zinc/09/32/64/181093264.db2.gz UTCTURQNZPEJKB-SNVBAGLBSA-N 1 0 233.227 1.207 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)cc1 ZINC000037749115 181109228 /nfs/dbraw/zinc/10/92/28/181109228.db2.gz OEGVPLXXTHRJJZ-OLZOCXBDSA-N 1 0 216.284 1.561 10 30 BDEERO N#Cc1ccc(Cl)cc1NC(=O)C[NH3+] ZINC000034979708 181111752 /nfs/dbraw/zinc/11/17/52/181111752.db2.gz UAWFAFHBXREUPE-UHFFFAOYSA-N 1 0 209.636 1.109 10 30 BDEERO N#Cc1ccc([C@@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019387595 181130445 /nfs/dbraw/zinc/13/04/45/181130445.db2.gz RTWZMEKOGBCKEM-CYBMUJFWSA-N 1 0 226.283 1.028 10 30 BDEERO N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052013040 181145067 /nfs/dbraw/zinc/14/50/67/181145067.db2.gz GEMDYTPWSXRLDB-KGLIPLIRSA-N 1 0 230.311 1.951 10 30 BDEERO N#Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000019408601 181148051 /nfs/dbraw/zinc/14/80/51/181148051.db2.gz SOIWDBTZJJJJOK-NSHDSACASA-N 1 0 229.283 1.496 10 30 BDEERO N#Cc1ccnc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000051865930 181157968 /nfs/dbraw/zinc/15/79/68/181157968.db2.gz JLVHZWYTJDZWDP-JTQLQIEISA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ncccc1C[NH2+]C[C@H]1CCOC1 ZINC000061657895 181170552 /nfs/dbraw/zinc/17/05/52/181170552.db2.gz ZRYGLRLWVQPEFD-SNVBAGLBSA-N 1 0 217.272 1.079 10 30 BDEERO N#Cc1nccnc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000032581982 181172690 /nfs/dbraw/zinc/17/26/90/181172690.db2.gz NOVKZAAOXJPLTP-LLVKDONJSA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1sc(C[NH3+])nc1-c1cc[nH]c1 ZINC000082532118 181177235 /nfs/dbraw/zinc/17/72/35/181177235.db2.gz GJTIXOARCLVIMR-UHFFFAOYSA-N 1 0 204.258 1.469 10 30 BDEERO C=C[C@@H](CC[NH3+])NC(=O)OCc1ccccc1 ZINC000675058670 538482491 /nfs/dbraw/zinc/48/24/91/538482491.db2.gz RTGRQCSYEWGPJT-LBPRGKRZSA-N 1 0 234.299 1.816 10 30 BDEERO C[C@@H]1C[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)CCO1 ZINC000675059552 538483978 /nfs/dbraw/zinc/48/39/78/538483978.db2.gz IUDUZQQUZBGHAM-KKOKHZNYSA-N 1 0 211.305 1.226 10 30 BDEERO CCCCCCCCO[C@@H](C[NH3+])CO ZINC000675070183 538499888 /nfs/dbraw/zinc/49/98/88/538499888.db2.gz QXXPHBNYTMFSDE-NSHDSACASA-N 1 0 203.326 1.683 10 30 BDEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000384843773 356770415 /nfs/dbraw/zinc/77/04/15/356770415.db2.gz AGDIDBWMSCFWBX-MNOVXSKESA-N 1 0 208.305 1.525 10 30 BDEERO C=CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246802060 359166784 /nfs/dbraw/zinc/16/67/84/359166784.db2.gz BVJAOCJZYDAZGT-RYUDHWBXSA-N 1 0 222.332 1.648 10 30 BDEERO C=C(Br)CNC(NCC)=[NH+]C ZINC000306410827 359818260 /nfs/dbraw/zinc/81/82/60/359818260.db2.gz JQHUIFLJMBPUJW-UHFFFAOYSA-N 1 0 220.114 1.080 10 30 BDEERO CO[C@H]1CCC[C@@H]1[NH+]1CCC(C=O)CC1 ZINC000306522867 360364904 /nfs/dbraw/zinc/36/49/04/360364904.db2.gz QQPMTOJZGAPCKQ-RYUDHWBXSA-N 1 0 211.305 1.465 10 30 BDEERO CC(C)(C)C#CCC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000300718369 360379889 /nfs/dbraw/zinc/37/98/89/360379889.db2.gz AINHYMWDLZBUKH-ZDUSSCGKSA-N 1 0 207.317 1.995 10 30 BDEERO N/C(=N/O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070663333 361706621 /nfs/dbraw/zinc/70/66/21/361706621.db2.gz KAESBAKIUKFGIM-GFCCVEGCSA-N 1 0 233.315 1.645 10 30 BDEERO CC#CCC[N@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000155463046 201332758 /nfs/dbraw/zinc/33/27/58/201332758.db2.gz WEQZVRCWFVQURY-AWEZNQCLSA-N 1 0 238.375 1.442 10 30 BDEERO [NH3+]CC#Cc1ccc(C(=O)N2CCCC2)s1 ZINC000040233690 181346708 /nfs/dbraw/zinc/34/67/08/181346708.db2.gz ILNOBKGOWBJHNW-UHFFFAOYSA-N 1 0 234.324 1.294 10 30 BDEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)NCC1CC1 ZINC000037569994 181346421 /nfs/dbraw/zinc/34/64/21/181346421.db2.gz GVYNDQBJFSEMGK-UHFFFAOYSA-N 1 0 246.285 1.276 10 30 BDEERO CCN(CC[NH3+])c1c(F)cc(C#N)cc1F ZINC000122839260 363887711 /nfs/dbraw/zinc/88/77/11/363887711.db2.gz WNQSDHKKGMRXLT-UHFFFAOYSA-N 1 0 225.242 1.621 10 30 BDEERO C=CCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630362444 364082711 /nfs/dbraw/zinc/08/27/11/364082711.db2.gz MXIAREWGRRMLMS-NEPJUHHUSA-N 1 0 212.337 1.391 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000600963113 364386895 /nfs/dbraw/zinc/38/68/95/364386895.db2.gz SDGLPCUSYFJIAO-PSASIEDQSA-N 1 0 246.270 1.392 10 30 BDEERO CC[NH2+][C@H](C)CNc1cc(C#N)cc(C)n1 ZINC000387426003 364687887 /nfs/dbraw/zinc/68/78/87/364687887.db2.gz HGJQVUXRWUORFT-SNVBAGLBSA-N 1 0 218.304 1.094 10 30 BDEERO [NH3+]CCN1CCC2(C1)CCC(CS)CC2 ZINC000095077567 181392200 /nfs/dbraw/zinc/39/22/00/181392200.db2.gz SIPSAECSOLZOSY-UHFFFAOYSA-N 1 0 228.405 1.757 10 30 BDEERO N#Cc1ncccc1NC1CC[NH2+]CC1 ZINC000131030321 370809530 /nfs/dbraw/zinc/80/95/30/370809530.db2.gz NGYWNBIMEIWXGC-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO C#C[C@H]([NH2+]C)[C@H]1SCCS[C@H]1C ZINC000252724500 367895530 /nfs/dbraw/zinc/89/55/30/367895530.db2.gz XMLGBHVHIZCTMR-CIUDSAMLSA-N 1 0 201.360 1.445 10 30 BDEERO C[C@H]1C[N@H+](CC(C)(C)CS)CC[C@H]1O ZINC000253189320 368605347 /nfs/dbraw/zinc/60/53/47/368605347.db2.gz LPIRYNBSTLAAHK-VHSXEESVSA-N 1 0 217.378 1.645 10 30 BDEERO O=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000054237422 369062106 /nfs/dbraw/zinc/06/21/06/369062106.db2.gz CZRYOLYRHAELBX-RYUDHWBXSA-N 1 0 211.305 1.609 10 30 BDEERO N#Cc1ncccc1NCC[NH2+]C1CC1 ZINC000131044255 370957582 /nfs/dbraw/zinc/95/75/82/370957582.db2.gz PLYNNHCRCONZRL-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO N#Cc1cnc(N2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000600958749 369575691 /nfs/dbraw/zinc/57/56/91/369575691.db2.gz JLWASSUYWWEZIB-SNVBAGLBSA-N 1 0 231.303 1.056 10 30 BDEERO N#Cc1ccnc(N2CCCCC[C@H]([NH3+])C2)c1 ZINC000600959402 369576072 /nfs/dbraw/zinc/57/60/72/369576072.db2.gz VTNCVSXZVQMFDB-LBPRGKRZSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1ccc(C#N)c(NCC2([NH3+])CCOCC2)n1 ZINC000600951239 369576224 /nfs/dbraw/zinc/57/62/24/369576224.db2.gz CSSRBBBPZTWOKX-UHFFFAOYSA-N 1 0 246.314 1.182 10 30 BDEERO Cc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600710949 369561345 /nfs/dbraw/zinc/56/13/45/369561345.db2.gz QYQIGXRLKASXOL-FZMZJTMJSA-N 1 0 229.327 1.646 10 30 BDEERO N#Cc1ncccc1N1CCCCC[C@H]([NH3+])C1 ZINC000600958952 369575170 /nfs/dbraw/zinc/57/51/70/369575170.db2.gz NIHSVFIUWQQAIL-NSHDSACASA-N 1 0 230.315 1.661 10 30 BDEERO Cc1ccnc(N[C@H]2CC[C@H](C)[NH2+]C2)c1C#N ZINC000600956247 369578209 /nfs/dbraw/zinc/57/82/09/369578209.db2.gz YHGWRWUDZFKVFX-QWRGUYRKSA-N 1 0 230.315 1.814 10 30 BDEERO C[C@H]1CC[C@H](Nc2cnccc2C#N)C[NH2+]1 ZINC000600955416 369578566 /nfs/dbraw/zinc/57/85/66/369578566.db2.gz MCXVXTNFGPQJQX-ONGXEEELSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000600963531 369579326 /nfs/dbraw/zinc/57/93/26/369579326.db2.gz XCCBGYSMUCYMRJ-WPRPVWTQSA-N 1 0 246.270 1.392 10 30 BDEERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)cc(C#N)n1 ZINC000600960925 369581131 /nfs/dbraw/zinc/58/11/31/369581131.db2.gz FVLXFOVWTINISD-MWLCHTKSSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCCO1 ZINC000251633283 369876336 /nfs/dbraw/zinc/87/63/36/369876336.db2.gz RJJUJLLLRSWDCI-YFKTTZPYSA-N 1 0 208.305 1.836 10 30 BDEERO CC[C@@H]1CN(c2cccc(C#N)n2)CC[C@H]1[NH3+] ZINC000251778376 369958036 /nfs/dbraw/zinc/95/80/36/369958036.db2.gz MYKAIWWGWFUWCI-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CN(CC2(CC#N)CC2)C[C@H]1[NH+](C)C ZINC000251861303 369979243 /nfs/dbraw/zinc/97/92/43/369979243.db2.gz SLZKOVOXQUNTLA-NWDGAFQWSA-N 1 0 221.348 1.562 10 30 BDEERO CCn1ccnc1Cn1c(C)c(C)nc1C#N ZINC000603349406 369932720 /nfs/dbraw/zinc/93/27/20/369932720.db2.gz NBWYGTMOSBVSRE-UHFFFAOYSA-N 1 0 229.287 1.636 10 30 BDEERO C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000063093002 370130229 /nfs/dbraw/zinc/13/02/29/370130229.db2.gz UFGSAGFGVREXDD-VWYCJHECSA-N 1 0 223.320 1.264 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1cnccn1 ZINC000389941920 371183392 /nfs/dbraw/zinc/18/33/92/371183392.db2.gz LQXKLPPMVIZZEH-DGCLKSJQSA-N 1 0 230.315 1.691 10 30 BDEERO Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000390570145 371216893 /nfs/dbraw/zinc/21/68/93/371216893.db2.gz NAPRPHJUAZCTBL-VXGBXAGGSA-N 1 0 218.304 1.473 10 30 BDEERO C=CCN1C(=[NH2+])NC[C@H]1c1cncs1 ZINC000161833387 371568387 /nfs/dbraw/zinc/56/83/87/371568387.db2.gz LSMKRUPADKOCOX-ZETCQYMHSA-N 1 0 208.290 1.001 10 30 BDEERO C=C(C)CC(=O)[C@H]1C[N@@H+](C)CCCN1C ZINC000132260811 371777916 /nfs/dbraw/zinc/77/79/16/371777916.db2.gz JVLPQAKTCIFGAR-LLVKDONJSA-N 1 0 210.321 1.158 10 30 BDEERO CNC(Cc1ccc(Br)cc1)=[NH+]N ZINC000058564421 372060420 /nfs/dbraw/zinc/06/04/20/372060420.db2.gz UXULSVDHOHIZNR-UHFFFAOYSA-N 1 0 242.120 1.483 10 30 BDEERO C=C(C(F)(F)F)[C@@]1(O)CC[NH2+]C[C@H]1C ZINC000306503941 372029280 /nfs/dbraw/zinc/02/92/80/372029280.db2.gz XZASNYKLRHJUIP-HTRCEHHLSA-N 1 0 209.211 1.465 10 30 BDEERO C=C(C)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000381145527 373928460 /nfs/dbraw/zinc/92/84/60/373928460.db2.gz NPHFVMCRDFTHQI-WDEREUQCSA-N 1 0 246.376 1.013 10 30 BDEERO C[C@@H](C#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000220554060 134309647 /nfs/dbraw/zinc/30/96/47/134309647.db2.gz YKMDSTBPMHUQPQ-NWDGAFQWSA-N 1 0 207.321 1.459 10 30 BDEERO CCCNC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049587511 169237372 /nfs/dbraw/zinc/23/73/72/169237372.db2.gz KYHNHBZUNXCGJQ-UHFFFAOYSA-N 1 0 245.326 1.206 10 30 BDEERO CCC[C@@H](C)C(=O)Nc1cccc(C#CC[NH3+])n1 ZINC000037552214 169353319 /nfs/dbraw/zinc/35/33/19/169353319.db2.gz UOVGCSYECNKUSI-LLVKDONJSA-N 1 0 245.326 1.767 10 30 BDEERO C#CCC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185519178 532990908 /nfs/dbraw/zinc/99/09/08/532990908.db2.gz GVLFUVYILVZUKR-GFCCVEGCSA-N 1 0 234.343 1.343 10 30 BDEERO C=C[C@@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643704536 384097042 /nfs/dbraw/zinc/09/70/42/384097042.db2.gz UVQREVSHYFSMGK-LLVKDONJSA-N 1 0 240.347 1.083 10 30 BDEERO C=C[C@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643704537 384097167 /nfs/dbraw/zinc/09/71/67/384097167.db2.gz UVQREVSHYFSMGK-NSHDSACASA-N 1 0 240.347 1.083 10 30 BDEERO Cc1nc(N[C@H](C)CCCC[NH3+])ccc1C#N ZINC000336710183 384256025 /nfs/dbraw/zinc/25/60/25/384256025.db2.gz MYZPRFILSFZWSF-SNVBAGLBSA-N 1 0 232.331 1.613 10 30 BDEERO C#CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188100169 384359636 /nfs/dbraw/zinc/35/96/36/384359636.db2.gz WSISTIGSBVNCBP-RYUDHWBXSA-N 1 0 221.325 1.389 10 30 BDEERO CC[NH2+]CCCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000233512185 384372650 /nfs/dbraw/zinc/37/26/50/384372650.db2.gz RWEKIFSCIINHPP-UHFFFAOYSA-N 1 0 249.274 1.273 10 30 BDEERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000300865073 384614462 /nfs/dbraw/zinc/61/44/62/384614462.db2.gz ONUUFHOQOGJCEE-WYUUTHIRSA-N 1 0 208.305 1.693 10 30 BDEERO O=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000051175276 384659485 /nfs/dbraw/zinc/65/94/85/384659485.db2.gz YDSAEIKJWRAUJK-UHFFFAOYSA-N 1 0 211.305 1.468 10 30 BDEERO CC#CCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000155727921 384759690 /nfs/dbraw/zinc/75/96/90/384759690.db2.gz VYHIHICJXRKCRN-LBPRGKRZSA-N 1 0 217.316 1.623 10 30 BDEERO CC#CCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000155728059 384760527 /nfs/dbraw/zinc/76/05/27/384760527.db2.gz VYHIHICJXRKCRN-GFCCVEGCSA-N 1 0 217.316 1.623 10 30 BDEERO Cc1nnc(N[C@H](C)C[C@@H](C)[NH3+])c(C#N)c1C ZINC000320767834 384873407 /nfs/dbraw/zinc/87/34/07/384873407.db2.gz CCDIBGKLTSADGE-HTQZYQBOSA-N 1 0 233.319 1.503 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000320735970 384851311 /nfs/dbraw/zinc/85/13/11/384851311.db2.gz UGBGUYXKELIXPL-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO C=CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152201955 385002066 /nfs/dbraw/zinc/00/20/66/385002066.db2.gz XVHVVJNIWFKHIX-LBPRGKRZSA-N 1 0 204.273 1.721 10 30 BDEERO C=C(Cl)C[N@H+]1CCCC[C@H](CO)C1 ZINC000306707300 385169774 /nfs/dbraw/zinc/16/97/74/385169774.db2.gz JULPEZJBLHCEGR-JTQLQIEISA-N 1 0 203.713 1.833 10 30 BDEERO N#CCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107795106 385213055 /nfs/dbraw/zinc/21/30/55/385213055.db2.gz OKXWJQJNUJHTHI-CYBMUJFWSA-N 1 0 221.348 1.850 10 30 BDEERO C[C@@H]1CN(c2cccc(C#N)n2)C[C@@]1(C)C[NH3+] ZINC000310067361 385240581 /nfs/dbraw/zinc/24/05/81/385240581.db2.gz BXJQHHNRASTSCW-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC000149404567 385541904 /nfs/dbraw/zinc/54/19/04/385541904.db2.gz OXEHFOZHSGUFMJ-LBPRGKRZSA-N 1 0 216.288 1.094 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+]Cc1nc(C#N)cs1 ZINC000309410094 385572386 /nfs/dbraw/zinc/57/23/86/385572386.db2.gz XUZJLTUBPPNODK-SECBINFHSA-N 1 0 239.344 1.511 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)nc1 ZINC000309489249 385607447 /nfs/dbraw/zinc/60/74/47/385607447.db2.gz ZDUDPQSFEQEMHJ-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188384096 385695182 /nfs/dbraw/zinc/69/51/82/385695182.db2.gz BIBMQOBFBWRRKH-OCCSQVGLSA-N 1 0 236.359 1.895 10 30 BDEERO N#Cc1ccc(Br)cc1C[NH3+] ZINC000260305916 385789282 /nfs/dbraw/zinc/78/92/82/385789282.db2.gz FJXXLFSXAAPXCT-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO C=C(C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919369 385968673 /nfs/dbraw/zinc/96/86/73/385968673.db2.gz ZDIQYWNWEQPOTA-LBPRGKRZSA-N 1 0 220.320 1.566 10 30 BDEERO Cc1cc(C#N)nc(N[C@@H](C)CCC[NH3+])n1 ZINC000309312132 386084667 /nfs/dbraw/zinc/08/46/67/386084667.db2.gz MHDPMZCGUSXEDS-QMMMGPOBSA-N 1 0 219.292 1.196 10 30 BDEERO Cc1cc(C#N)cc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000161724935 386967732 /nfs/dbraw/zinc/96/77/32/386967732.db2.gz JKCVMEWYECDRTQ-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO C=CCOCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398758163 386985913 /nfs/dbraw/zinc/98/59/13/386985913.db2.gz AMGPQVNQDZORMM-YNEHKIRRSA-N 1 0 225.332 1.282 10 30 BDEERO C=CC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000648080604 387514432 /nfs/dbraw/zinc/51/44/32/387514432.db2.gz GHJSJRSXSPITKN-OLZOCXBDSA-N 1 0 236.359 1.786 10 30 BDEERO CC[NH2+]CCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592155 387590972 /nfs/dbraw/zinc/59/09/72/387590972.db2.gz GCIFXFXGUOVOQI-UHFFFAOYSA-N 1 0 248.286 1.878 10 30 BDEERO C=C(Cl)CN1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000575541876 387596400 /nfs/dbraw/zinc/59/64/00/387596400.db2.gz LUEWRUSSQKUGII-NXEZZACHSA-N 1 0 202.729 1.811 10 30 BDEERO C[C@H](C[NH3+])Nc1cc(Cl)ccc1C#N ZINC000082576102 388037053 /nfs/dbraw/zinc/03/70/53/388037053.db2.gz HBNJEBCQMLPABU-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO Cc1nnc(NCC23CC(C2)C[NH2+]3)c(C#N)c1C ZINC000596027231 388400831 /nfs/dbraw/zinc/40/08/31/388400831.db2.gz QEKKIGNOJAKTIV-UHFFFAOYSA-N 1 0 243.314 1.129 10 30 BDEERO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)cc(C#N)n1 ZINC000308246030 388434129 /nfs/dbraw/zinc/43/41/29/388434129.db2.gz VASPQLDWMQJIMN-CABZTGNLSA-N 1 0 216.288 1.188 10 30 BDEERO CC#CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000135722613 388506138 /nfs/dbraw/zinc/50/61/38/388506138.db2.gz IOABJSKRQXDPKG-RYUDHWBXSA-N 1 0 237.347 1.038 10 30 BDEERO CC[C@@H]([NH3+])CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130697237 388566149 /nfs/dbraw/zinc/56/61/49/388566149.db2.gz PUAXXESGGPKRFN-SECBINFHSA-N 1 0 234.259 1.616 10 30 BDEERO C[N@@H+]1CCC[C@H]1CN1Cc2cccc(C#N)c2C1 ZINC000405102941 388638005 /nfs/dbraw/zinc/63/80/05/388638005.db2.gz ITFFLKAGINZGOI-AWEZNQCLSA-N 1 0 241.338 1.968 10 30 BDEERO Cc1cc(NC[C@@H]([NH3+])C2CC2)cc(C#N)n1 ZINC000308236085 388658451 /nfs/dbraw/zinc/65/84/51/388658451.db2.gz DNPNUPZSFJTLHV-GFCCVEGCSA-N 1 0 216.288 1.411 10 30 BDEERO C=C(C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249132745 388710611 /nfs/dbraw/zinc/71/06/11/388710611.db2.gz FUMHQLFKTJBQJV-VXGBXAGGSA-N 1 0 239.363 1.590 10 30 BDEERO CC[C@H]([NH3+])CNc1nc(C)ccc1C#N ZINC000082579465 388728667 /nfs/dbraw/zinc/72/86/67/388728667.db2.gz KNOHTQLFXFAZGL-JTQLQIEISA-N 1 0 204.277 1.411 10 30 BDEERO C[NH+](C)Cc1c[nH]c2ncc(C#N)cc12 ZINC000095937273 388792033 /nfs/dbraw/zinc/79/20/33/388792033.db2.gz XYGBOHJOJGCJER-UHFFFAOYSA-N 1 0 200.245 1.496 10 30 BDEERO C=C[C@@H]([NH3+])c1c(Br)cnn1C ZINC000575458236 388794285 /nfs/dbraw/zinc/79/42/85/388794285.db2.gz JOZMFIMEPYLTTD-ZCFIWIBFSA-N 1 0 216.082 1.368 10 30 BDEERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095075892 388758179 /nfs/dbraw/zinc/75/81/79/388758179.db2.gz CNNOUORXMZSENV-ZIAGYGMSSA-N 1 0 230.311 1.725 10 30 BDEERO CN(C[C@@H]1CCC[NH2+]C1)c1cc(C#N)ccn1 ZINC000095071078 388758623 /nfs/dbraw/zinc/75/86/23/388758623.db2.gz HIRZKFZXKYBWMG-GFCCVEGCSA-N 1 0 230.315 1.389 10 30 BDEERO CC1(C)CN(c2ccc(F)cc2C#N)CC[NH2+]1 ZINC000336237541 132309886 /nfs/dbraw/zinc/30/98/86/132309886.db2.gz MIXOWAXFCGOLSW-UHFFFAOYSA-N 1 0 233.290 1.886 10 30 BDEERO C=C(C)CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000181414748 533491967 /nfs/dbraw/zinc/49/19/67/533491967.db2.gz JRVFHFLBOPVLGW-GFCCVEGCSA-N 1 0 239.363 1.688 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nccc(C#N)n1 ZINC000297185146 132221518 /nfs/dbraw/zinc/22/15/18/132221518.db2.gz QGCFBVQTIPKUJK-PWSUYJOCSA-N 1 0 243.314 1.021 10 30 BDEERO Cc1cc(C)c(C#N)c(N2CCC(C[NH3+])CC2)n1 ZINC000044514678 132224915 /nfs/dbraw/zinc/22/49/15/132224915.db2.gz RTKFHNMGSTVJDX-UHFFFAOYSA-N 1 0 244.342 1.745 10 30 BDEERO C[C@@H]1CN(c2cc(C#N)ccn2)C[C@@H](C)[NH2+]1 ZINC000053711462 132363372 /nfs/dbraw/zinc/36/33/72/132363372.db2.gz YDCSOGVUOWYPNU-NXEZZACHSA-N 1 0 216.288 1.140 10 30 BDEERO C[C@@H]1CCN(c2cc(C#N)ccn2)[C@@H](C[NH3+])C1 ZINC000235336732 132391279 /nfs/dbraw/zinc/39/12/79/132391279.db2.gz KOGSAWHQALSWKM-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cnn(CCNC(=[NH2+])N2CCCCCC2)c1 ZINC000126074015 133638462 /nfs/dbraw/zinc/63/84/62/133638462.db2.gz KLHLEDFRBZHDDJ-UHFFFAOYSA-N 1 0 249.362 1.382 10 30 BDEERO CC#CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174882666 134285083 /nfs/dbraw/zinc/28/50/83/134285083.db2.gz VLKJEPUUYWVXLR-HNNXBMFYSA-N 1 0 249.402 1.112 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000224390492 134346193 /nfs/dbraw/zinc/34/61/93/134346193.db2.gz OCUNXMUZOVKKHC-RYUDHWBXSA-N 1 0 208.305 1.695 10 30 BDEERO CCCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185158658 134372337 /nfs/dbraw/zinc/37/23/37/134372337.db2.gz IBFDVEOKBVURHX-NEPJUHHUSA-N 1 0 215.337 1.384 10 30 BDEERO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CCO)C2)c1 ZINC000227570145 134383272 /nfs/dbraw/zinc/38/32/72/134383272.db2.gz NHTIJWUYVBVVDE-LLVKDONJSA-N 1 0 248.301 1.902 10 30 BDEERO C=C(C)C[N@@H+](CC)[C@H]1CCCCNC1=O ZINC000193119341 134590626 /nfs/dbraw/zinc/59/06/26/134590626.db2.gz KIPNWHIZTSNBFP-NSHDSACASA-N 1 0 210.321 1.553 10 30 BDEERO C=CCN1CC[C@H]([NH2+]C2(C(C)C)CC2)C1=O ZINC000339521481 134606772 /nfs/dbraw/zinc/60/67/72/134606772.db2.gz MIVYGKCTQKTATI-NSHDSACASA-N 1 0 222.332 1.552 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000251018684 135062088 /nfs/dbraw/zinc/06/20/88/135062088.db2.gz DTJRSZAKDHUXQH-FIQHERPVSA-N 1 0 208.305 1.572 10 30 BDEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC#N ZINC000252660966 135093811 /nfs/dbraw/zinc/09/38/11/135093811.db2.gz FODDZYWBQSPBRU-RYUDHWBXSA-N 1 0 207.321 1.459 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261586594 135227618 /nfs/dbraw/zinc/22/76/18/135227618.db2.gz UMUDFNZCLATEIU-CHWSQXEVSA-N 1 0 242.326 1.307 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCO[C@@H]1C(C)C ZINC000261640295 135242760 /nfs/dbraw/zinc/24/27/60/135242760.db2.gz KWVXHVZHTFXIHS-SDDRHHMPSA-N 1 0 241.379 1.750 10 30 BDEERO C[NH+]=C(NC[C@]1(C)CCCO1)N[C@@H]1C[C@H]1C ZINC000261791227 135253784 /nfs/dbraw/zinc/25/37/84/135253784.db2.gz QJXSCZIAEWDIKQ-FOGDFJRCSA-N 1 0 225.336 1.129 10 30 BDEERO C=C(Cl)CNC(N[C@@H]1CCC[C@@H]1C#N)=[NH+]C ZINC000262346466 135294857 /nfs/dbraw/zinc/29/48/57/135294857.db2.gz DLCNXBFLIJYHDP-NXEZZACHSA-N 1 0 240.738 1.596 10 30 BDEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262422326 135295977 /nfs/dbraw/zinc/29/59/77/135295977.db2.gz BNKOKLQFEUOJOZ-MXWKQRLJSA-N 1 0 225.336 1.210 10 30 BDEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])N(C)C ZINC000262518294 135304228 /nfs/dbraw/zinc/30/42/28/135304228.db2.gz HHMSFRDPAKXLQP-TZMCWYRMSA-N 1 0 247.342 1.602 10 30 BDEERO C[C@H]1C[NH+]=C(NCC(C)(C)Oc2ccccc2)N1 ZINC000262651288 135310917 /nfs/dbraw/zinc/31/09/17/135310917.db2.gz KNNYTOYCCABBHO-NSHDSACASA-N 1 0 247.342 1.781 10 30 BDEERO C[C@H]1C[NH+]=C(N[C@H]2CCC23CCCC3)N1 ZINC000262647978 135311227 /nfs/dbraw/zinc/31/12/27/135311227.db2.gz JOSRKHIBVLRYQT-UWVGGRQHSA-N 1 0 207.321 1.647 10 30 BDEERO CN1CC[NH+]=C1NCC#Cc1cccc(F)c1 ZINC000262663272 135312187 /nfs/dbraw/zinc/31/21/87/135312187.db2.gz NONHVPYVJDXSEK-UHFFFAOYSA-N 1 0 231.274 1.068 10 30 BDEERO C[C@H](CNC1=[NH+]CCCN1C)C(F)(F)F ZINC000263066734 135330330 /nfs/dbraw/zinc/33/03/30/135330330.db2.gz GFWFHNQUKPEEGN-SSDOTTSWSA-N 1 0 223.242 1.466 10 30 BDEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC1 ZINC000263070700 135330636 /nfs/dbraw/zinc/33/06/36/135330636.db2.gz GRYYAOYKZAMMKK-WOPDTQHZSA-N 1 0 219.332 1.609 10 30 BDEERO [NH2+]=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC1 ZINC000263070698 135330735 /nfs/dbraw/zinc/33/07/35/135330735.db2.gz GRYYAOYKZAMMKK-GRYCIOLGSA-N 1 0 219.332 1.609 10 30 BDEERO C[C@@H]1C[NH+]=C(NCc2c(F)cc(F)cc2F)N1 ZINC000263141068 135335916 /nfs/dbraw/zinc/33/59/16/135335916.db2.gz OGBWQAAPCKXGRF-ZCFIWIBFSA-N 1 0 243.232 1.541 10 30 BDEERO C=CCCCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309782391 135442680 /nfs/dbraw/zinc/44/26/80/135442680.db2.gz NFQGFZYSQAJVQC-VXGBXAGGSA-N 1 0 224.348 1.990 10 30 BDEERO N#CC[C@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000259553319 397957140 /nfs/dbraw/zinc/95/71/40/397957140.db2.gz HMBFKALZELGHLI-ZDUSSCGKSA-N 1 0 215.300 1.503 10 30 BDEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000294960476 398102857 /nfs/dbraw/zinc/10/28/57/398102857.db2.gz IGVFBHHDQKRCFE-RISCZKNCSA-N 1 0 230.311 1.903 10 30 BDEERO C#CCC[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000070160801 166148359 /nfs/dbraw/zinc/14/83/59/166148359.db2.gz XUCASDRCKGVHTN-OAHLLOKOSA-N 1 0 246.354 1.911 10 30 BDEERO C#CCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000272973530 166149570 /nfs/dbraw/zinc/14/95/70/166149570.db2.gz CODIIODPKUVBEZ-GFCCVEGCSA-N 1 0 223.703 1.986 10 30 BDEERO C#CCC[NH+]1CCN([C@@H](C#N)CCC)CC1 ZINC000104352564 166137841 /nfs/dbraw/zinc/13/78/41/166137841.db2.gz KFEXPWCTZXEWTN-CYBMUJFWSA-N 1 0 219.332 1.320 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000019875533 166192196 /nfs/dbraw/zinc/19/21/96/166192196.db2.gz HZYSGUMMHIUHRD-SNVBAGLBSA-N 1 0 217.268 1.742 10 30 BDEERO C#CCOc1ccc(C[NH2+]C)cc1OC ZINC000037704286 166198764 /nfs/dbraw/zinc/19/87/64/166198764.db2.gz GJNGQGHVFVNZOI-UHFFFAOYSA-N 1 0 205.257 1.427 10 30 BDEERO C#Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000019480283 166223024 /nfs/dbraw/zinc/22/30/24/166223024.db2.gz KIGIRWIEVRJNKG-LBPRGKRZSA-N 1 0 228.295 1.606 10 30 BDEERO C=CCCOCCNC(=O)[C@@](C)([NH3+])CCC ZINC000226696503 166270926 /nfs/dbraw/zinc/27/09/26/166270926.db2.gz HCAXSGAYDZUDHE-LBPRGKRZSA-N 1 0 228.336 1.213 10 30 BDEERO C=CCN(C(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000037817718 166310569 /nfs/dbraw/zinc/31/05/69/166310569.db2.gz NYIXRHYLZKBNAZ-LLVKDONJSA-N 1 0 210.321 1.552 10 30 BDEERO C=CCNC(=O)[C@@H](C)Oc1ccccc1CC[NH3+] ZINC000037720535 166385158 /nfs/dbraw/zinc/38/51/58/166385158.db2.gz KQOOXZRDHWQSMP-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076618887 166385360 /nfs/dbraw/zinc/38/53/60/166385360.db2.gz BQJLALKPHVTCTM-LBPRGKRZSA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)[C@@H](C)OCC[C@@H]1CCCC[NH2+]1 ZINC000051861768 166385486 /nfs/dbraw/zinc/38/54/86/166385486.db2.gz ULIKVUWJPGTZOQ-NEPJUHHUSA-N 1 0 240.347 1.226 10 30 BDEERO C=CC[NH2+]CC(=O)NCc1ccccc1OC ZINC000095081796 166398510 /nfs/dbraw/zinc/39/85/10/166398510.db2.gz HEMSKYXEIOVKOJ-UHFFFAOYSA-N 1 0 234.299 1.087 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000020033677 166399799 /nfs/dbraw/zinc/39/97/99/166399799.db2.gz RPLWCQGVHYXSCN-UHFFFAOYSA-N 1 0 208.236 1.540 10 30 BDEERO C=CC[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000095081784 166399883 /nfs/dbraw/zinc/39/98/83/166399883.db2.gz NMQVWFIMCYADKI-UHFFFAOYSA-N 1 0 249.701 1.926 10 30 BDEERO CC[NH+](CC)CCNc1ncc(N)cc1C#N ZINC000037758860 169781885 /nfs/dbraw/zinc/78/18/85/169781885.db2.gz HEQRGCXHFGFBEU-UHFFFAOYSA-N 1 0 233.319 1.289 10 30 BDEERO C=C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000309506389 411156273 /nfs/dbraw/zinc/15/62/73/411156273.db2.gz NGLVCQAUSJCRND-QWRGUYRKSA-N 1 0 210.321 1.457 10 30 BDEERO C=CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000129162435 411234077 /nfs/dbraw/zinc/23/40/77/411234077.db2.gz BBQGWMTVMOFVTC-LLVKDONJSA-N 1 0 210.321 1.537 10 30 BDEERO C=CCOCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659358303 411402024 /nfs/dbraw/zinc/40/20/24/411402024.db2.gz GXKCXFFWZUIQMY-RYUDHWBXSA-N 1 0 240.347 1.070 10 30 BDEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1CCCC1 ZINC000037821135 169877289 /nfs/dbraw/zinc/87/72/89/169877289.db2.gz XENDSRMLGCNTML-NSHDSACASA-N 1 0 237.347 1.527 10 30 BDEERO CN(CCC[NH3+])c1nc2c(cc1C#N)CCCC2 ZINC000133824558 411492704 /nfs/dbraw/zinc/49/27/04/411492704.db2.gz UMXVXNZQYISEQZ-UHFFFAOYSA-N 1 0 244.342 1.617 10 30 BDEERO CCOC(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049587427 170237529 /nfs/dbraw/zinc/23/75/29/170237529.db2.gz KOVLLPOJNMMLST-UHFFFAOYSA-N 1 0 246.310 1.585 10 30 BDEERO CCOC(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049587436 170237934 /nfs/dbraw/zinc/23/79/34/170237934.db2.gz UMAIUKYZPFCFPL-UHFFFAOYSA-N 1 0 246.310 1.585 10 30 BDEERO CCOC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587415 170242904 /nfs/dbraw/zinc/24/29/04/170242904.db2.gz CVXQEFHQFTWCKN-LLVKDONJSA-N 1 0 246.310 1.804 10 30 BDEERO CCOC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587460 170243295 /nfs/dbraw/zinc/24/32/95/170243295.db2.gz KQUZQTFDBNUXCG-LLVKDONJSA-N 1 0 246.310 1.804 10 30 BDEERO CC[C@@H]1CO[C@H](c2ccc(C#N)cc2)C[NH2+]1 ZINC000036672720 171114541 /nfs/dbraw/zinc/11/45/41/171114541.db2.gz CFKKNKPLQUMDJB-OLZOCXBDSA-N 1 0 216.284 1.998 10 30 BDEERO CC[C@H](C)[N@H+](C)Cc1cccnc1/C(N)=N/O ZINC000061657317 171309887 /nfs/dbraw/zinc/30/98/87/171309887.db2.gz WAPFENRJVQKLMP-VIFPVBQESA-N 1 0 236.319 1.406 10 30 BDEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190086820 171317073 /nfs/dbraw/zinc/31/70/73/171317073.db2.gz QGMSGDGMQNOJQS-LNFKQOIKSA-N 1 0 225.336 1.257 10 30 BDEERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](C)C#N ZINC000038014494 171322267 /nfs/dbraw/zinc/32/22/67/171322267.db2.gz AICYZLVFEFFIBY-UWVGGRQHSA-N 1 0 211.309 1.040 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)c1ccc(C#N)cc1 ZINC000061980502 171393578 /nfs/dbraw/zinc/39/35/78/171393578.db2.gz FVAINPJACZFMIR-GWCFXTLKSA-N 1 0 245.326 1.894 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCC#N)CCC#N ZINC000037825543 171394720 /nfs/dbraw/zinc/39/47/20/171394720.db2.gz BYAJFWZQPVAIDD-QWRGUYRKSA-N 1 0 236.319 1.016 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000662953771 412353734 /nfs/dbraw/zinc/35/37/34/412353734.db2.gz PXMGAIMCWDCEGC-QWRGUYRKSA-N 1 0 224.348 1.975 10 30 BDEERO C=CCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662982999 412362981 /nfs/dbraw/zinc/36/29/81/412362981.db2.gz HGUKSGDPJQCQKM-SSDOTTSWSA-N 1 0 224.226 1.301 10 30 BDEERO CCn1cc(C=NNC(N)=[NH2+])c2ccccc21 ZINC000095952359 172150040 /nfs/dbraw/zinc/15/00/40/172150040.db2.gz JYDJYQQXKLECHQ-CHHVJCJISA-N 1 0 229.287 1.478 10 30 BDEERO CN(C(=O)CC[NH2+]C1CC1)c1ccccc1C#N ZINC000077393407 172304305 /nfs/dbraw/zinc/30/43/05/172304305.db2.gz YWDWLSPJHVRYQI-UHFFFAOYSA-N 1 0 243.310 1.663 10 30 BDEERO C[NH+](C)CCNCc1cc(C#N)ccc1F ZINC000020056972 172466117 /nfs/dbraw/zinc/46/61/17/172466117.db2.gz RXZZRTBQDJHTSB-UHFFFAOYSA-N 1 0 221.279 1.349 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C#N)cn1 ZINC000071190188 173112018 /nfs/dbraw/zinc/11/20/18/173112018.db2.gz UPQXEWWAEKFBNP-GFCCVEGCSA-N 1 0 230.315 1.341 10 30 BDEERO C[NH2+]CCOc1nc(C)cc(C)c1C#N ZINC000051866653 173357592 /nfs/dbraw/zinc/35/75/92/173357592.db2.gz OFBFLRFZPCBVGJ-UHFFFAOYSA-N 1 0 205.261 1.168 10 30 BDEERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C#N)c1 ZINC000071260688 173823466 /nfs/dbraw/zinc/82/34/66/173823466.db2.gz VELKECVRDSESDS-NEPJUHHUSA-N 1 0 230.267 1.034 10 30 BDEERO COCCN(CCC#N)[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000071222427 174289479 /nfs/dbraw/zinc/28/94/79/174289479.db2.gz QWOGTQRGZPIWHB-NEPJUHHUSA-N 1 0 241.379 1.610 10 30 BDEERO COCCN([C@H](C)COC)[C@@H]1CCC[C@@H]1C#N ZINC000042607443 174302910 /nfs/dbraw/zinc/30/29/10/174302910.db2.gz IKOXGEADHCFHCN-JHJVBQTASA-N 1 0 240.347 1.662 10 30 BDEERO COCCOCC[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054827926 174358581 /nfs/dbraw/zinc/35/85/81/174358581.db2.gz HFYUFCYBOWVDKI-STQMWFEESA-N 1 0 240.347 1.711 10 30 BDEERO COc1cc2c(cc1C#N)CCC[C@H]2[NH3+] ZINC000238398369 175020075 /nfs/dbraw/zinc/02/00/75/175020075.db2.gz NXBZDGUMVDZVNE-LLVKDONJSA-N 1 0 202.257 1.903 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1N1CCCC1=O ZINC000049587805 175051330 /nfs/dbraw/zinc/05/13/30/175051330.db2.gz LKYDOEZABWAAGD-UHFFFAOYSA-N 1 0 244.294 1.132 10 30 BDEERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCC#N)cc1 ZINC000042960537 175181638 /nfs/dbraw/zinc/18/16/38/175181638.db2.gz LLXFZLJXPKJYGA-SMDDNHRTSA-N 1 0 247.342 1.929 10 30 BDEERO COc1cccc([C@@H](C#N)NCC[NH+](C)C)c1 ZINC000020173300 175285369 /nfs/dbraw/zinc/28/53/69/175285369.db2.gz HOQFBBZRMAWYMF-CYBMUJFWSA-N 1 0 233.315 1.411 10 30 BDEERO COc1ccccc1[C@H](C#N)N1CC[NH2+]CC1 ZINC000019274469 175351082 /nfs/dbraw/zinc/35/10/82/175351082.db2.gz FIEGEFBXIOTFGZ-LBPRGKRZSA-N 1 0 231.299 1.165 10 30 BDEERO C[C@@H](S)[C@H]1[NH2+]CCc2cccc(O)c21 ZINC000083660561 176007488 /nfs/dbraw/zinc/00/74/88/176007488.db2.gz FPASJYBOJPXPLI-RDDDGLTNSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@@H](S)[C@H]1[NH2+]CCc2ccc(N)cc21 ZINC000075752000 176007599 /nfs/dbraw/zinc/00/75/99/176007599.db2.gz JAEUJKOIFWFDGX-RDDDGLTNSA-N 1 0 208.330 1.774 10 30 BDEERO C[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1[NH+](C)C ZINC000251575706 176318842 /nfs/dbraw/zinc/31/88/42/176318842.db2.gz CEMJJDLTNUBINL-ZYHUDNBSSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1CN(c2cnccc2C#N)C[C@@H]1[NH+](C)C ZINC000135616958 176319878 /nfs/dbraw/zinc/31/98/78/176319878.db2.gz WVEJMWVQJXHYTF-MFKMUULPSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@@H]1COCCN1Cc1ccccc1C#CC[NH3+] ZINC000049609127 176337374 /nfs/dbraw/zinc/33/73/74/176337374.db2.gz RVDJSXNVSWCFCH-CYBMUJFWSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@H](C[NH3+])C(=O)N(C)c1ccccc1C#N ZINC000077324875 176656006 /nfs/dbraw/zinc/65/60/06/176656006.db2.gz IMHMRAXCVNVZTI-SECBINFHSA-N 1 0 217.272 1.116 10 30 BDEERO C[C@H]1CCC[N@H+](CC(=O)N(C)CCC#N)CC1 ZINC000068830733 177096446 /nfs/dbraw/zinc/09/64/46/177096446.db2.gz HZJHDIRFPZJKIE-LBPRGKRZSA-N 1 0 237.347 1.480 10 30 BDEERO C[C@H]1CC[N@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049613625 177165225 /nfs/dbraw/zinc/16/52/25/177165225.db2.gz OESSEZAQNUWZEK-ZDUSSCGKSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@H]1CN(Cc2cccnc2C#N)CC[N@@H+]1C ZINC000104132164 177267072 /nfs/dbraw/zinc/26/70/72/177267072.db2.gz XRYSUDDAGSNHIF-NSHDSACASA-N 1 0 230.315 1.089 10 30 BDEERO C[C@H]1CN(c2ccnc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124045340 177277330 /nfs/dbraw/zinc/27/73/30/177277330.db2.gz BNRPNQMIJNBYKV-GWCFXTLKSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCCC#N ZINC000338998406 177280104 /nfs/dbraw/zinc/28/01/04/177280104.db2.gz SNBODUHZAPRYPU-STQMWFEESA-N 1 0 237.347 1.085 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1ccncc1C#N ZINC000398981771 262773307 /nfs/dbraw/zinc/77/33/07/262773307.db2.gz GJAQJYHOMCRRFM-JTQLQIEISA-N 1 0 218.304 1.305 10 30 BDEERO C=C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000309495296 487888073 /nfs/dbraw/zinc/88/80/73/487888073.db2.gz JXKURFYGEYQVSL-HBNTYKKESA-N 1 0 210.321 1.311 10 30 BDEERO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000248622165 323028264 /nfs/dbraw/zinc/02/82/64/323028264.db2.gz TXXWNZLGQYVMRE-WOPDTQHZSA-N 1 0 213.321 1.471 10 30 BDEERO Cc1cc(C#N)cc(N(C)C2CC([NH3+])C2)n1 ZINC000395105996 323187096 /nfs/dbraw/zinc/18/70/96/323187096.db2.gz GTXFPDYDJHXKQG-UHFFFAOYSA-N 1 0 216.288 1.188 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1cccc(C#N)n1 ZINC000320708330 323579488 /nfs/dbraw/zinc/57/94/88/323579488.db2.gz PHTSAFYLKVKPQZ-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO COCC#CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000677820420 487518521 /nfs/dbraw/zinc/51/85/21/487518521.db2.gz MRVMIFSBMVKRNA-UONOGXRCSA-N 1 0 237.343 1.263 10 30 BDEERO CC[C@H]([NH3+])CNc1nc(C)cc(C)c1C#N ZINC000082579318 517818818 /nfs/dbraw/zinc/81/88/18/517818818.db2.gz JWZLEEYWQRDFGY-JTQLQIEISA-N 1 0 218.304 1.719 10 30 BDEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336743377 534359807 /nfs/dbraw/zinc/35/98/07/534359807.db2.gz OYHIZVDPJIYANT-BJDJZHNGSA-N 1 0 224.348 1.844 10 30 BDEERO C=C(Cl)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158798657 534445288 /nfs/dbraw/zinc/44/52/88/534445288.db2.gz LGVUEIIJXWGFLN-RKDXNWHRSA-N 1 0 216.712 1.230 10 30 BDEERO CCCCCCC[NH2+]CCOCCO ZINC000102300631 520056134 /nfs/dbraw/zinc/05/61/34/520056134.db2.gz VIPNYVIFJCFTER-UHFFFAOYSA-N 1 0 203.326 1.555 10 30 BDEERO C=CCCCN(C)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000119511284 534704834 /nfs/dbraw/zinc/70/48/34/534704834.db2.gz VZRGASFUZGADTP-ZDUSSCGKSA-N 1 0 224.348 1.801 10 30 BDEERO CC(C)(C#N)CCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000373068988 534980815 /nfs/dbraw/zinc/98/08/15/534980815.db2.gz HSKYZUVQKIOVRO-VXGBXAGGSA-N 1 0 240.347 1.134 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[C@@H]1C ZINC000262505432 535262770 /nfs/dbraw/zinc/26/27/70/535262770.db2.gz LHQUIECTTQGYAJ-GARJFASQSA-N 1 0 223.364 1.996 10 30 BDEERO CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000119928827 536305182 /nfs/dbraw/zinc/30/51/82/536305182.db2.gz OYHAPYKLVZOAHM-IMTBSYHQSA-N 1 0 241.697 1.869 10 30 BDEERO CC#CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000119102987 566352474 /nfs/dbraw/zinc/35/24/74/566352474.db2.gz OBXQWYOEDNRABA-UHFFFAOYSA-N 1 0 244.342 1.320 10 30 BDEERO C[N@H+](Cc1cc(C#CCO)cs1)C1CC1 ZINC000043698548 582806960 /nfs/dbraw/zinc/80/69/60/582806960.db2.gz GGESETROFWWLDI-UHFFFAOYSA-N 1 0 221.325 1.686 10 30 BDEERO Cc1cnn(CCNC(=[NH2+])Nc2ccccc2)c1 ZINC000118161304 589160934 /nfs/dbraw/zinc/16/09/34/589160934.db2.gz DFTUUAFORKFCBS-UHFFFAOYSA-N 1 0 243.314 1.618 10 30 BDEERO C[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1[NH3+] ZINC000300058092 592502223 /nfs/dbraw/zinc/50/22/23/592502223.db2.gz VIUHMYPRCWBJNN-NTSWFWBYSA-N 1 0 242.735 1.452 10 30 BDEERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000312978612 634427083 /nfs/dbraw/zinc/42/70/83/634427083.db2.gz FRHOQPNNBNKDAO-VWYCJHECSA-N 1 0 208.305 1.693 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1ccnc(C#N)c1 ZINC000063169409 634440266 /nfs/dbraw/zinc/44/02/66/634440266.db2.gz DWFFOXCSGZZJBQ-ZDUSSCGKSA-N 1 0 230.315 1.532 10 30 BDEERO Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000308244734 631216999 /nfs/dbraw/zinc/21/69/99/631216999.db2.gz PURRRZWZYOAZBG-MNOVXSKESA-N 1 0 230.315 1.801 10 30 BDEERO C#CCC[NH2+]Cc1cc(F)ccc1OC ZINC000309098598 631882501 /nfs/dbraw/zinc/88/25/01/631882501.db2.gz DTOJPZBXTVXMKB-UHFFFAOYSA-N 1 0 207.248 1.947 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1c(C#N)cnc2ccccc21 ZINC000310850751 633009718 /nfs/dbraw/zinc/00/97/18/633009718.db2.gz AORPSLULJVVCAA-SNVBAGLBSA-N 1 0 240.310 1.890 10 30 BDEERO CCN(c1ccc(C#N)nc1)[C@@H]1CC[NH2+]C1 ZINC000122674857 633835270 /nfs/dbraw/zinc/83/52/70/633835270.db2.gz UPQXEWHSNGDXON-GFCCVEGCSA-N 1 0 216.288 1.141 10 30 BDEERO CC[NH2+]CCNc1nc(Cl)c(C#N)s1 ZINC000233520012 642675166 /nfs/dbraw/zinc/67/51/66/642675166.db2.gz KVRUEKMXHJVEMM-UHFFFAOYSA-N 1 0 230.724 1.690 10 30 BDEERO C#CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000070246059 643005294 /nfs/dbraw/zinc/00/52/94/643005294.db2.gz YJPKQUYKZTUNIU-UHFFFAOYSA-N 1 0 231.295 1.961 10 30 BDEERO CCN(c1cc(C#N)ccn1)[C@H]1CC[NH2+]C1 ZINC000070901425 643081620 /nfs/dbraw/zinc/08/16/20/643081620.db2.gz KRMFGKYKJGGVSM-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO N#Cc1cc2ccccc2nc1N1CC[C@@H]([NH3+])C1 ZINC000071386068 643137334 /nfs/dbraw/zinc/13/73/34/643137334.db2.gz WIXJEJFMRIAWOK-GFCCVEGCSA-N 1 0 238.294 1.644 10 30 BDEERO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000306766620 643243584 /nfs/dbraw/zinc/24/35/84/643243584.db2.gz BNARTDHUJKFMJH-GARJFASQSA-N 1 0 215.724 1.832 10 30 BDEERO CC(=O)[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000082644700 643360939 /nfs/dbraw/zinc/36/09/39/643360939.db2.gz ROGHBFSCGPILGI-LBPRGKRZSA-N 1 0 208.305 1.981 10 30 BDEERO C[C@@H]([NH3+])CN(C)c1nc(Cl)c(C#N)s1 ZINC000307106002 643407317 /nfs/dbraw/zinc/40/73/17/643407317.db2.gz JRVSCNLIONVIIW-RXMQYKEDSA-N 1 0 230.724 1.452 10 30 BDEERO C#C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000186006704 643423516 /nfs/dbraw/zinc/42/35/16/643423516.db2.gz OPRDUPRQRHUHHJ-RYUDHWBXSA-N 1 0 237.347 1.134 10 30 BDEERO CC(C)[C@@H]1CC[C@@H](C)CC1N=NC(N)=[NH2+] ZINC000252446933 644850598 /nfs/dbraw/zinc/85/05/98/644850598.db2.gz DBXNCHLLSWWXSM-BDAKNGLRSA-N 1 0 210.325 1.918 10 30 BDEERO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCOC[C@H]1O ZINC000706971034 712160718 /nfs/dbraw/zinc/16/07/18/712160718.db2.gz IYXLBVHSMDCIHT-OUAUKWLOSA-N 1 0 226.320 1.054 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724611929 710743494 /nfs/dbraw/zinc/74/34/94/710743494.db2.gz ZOFJNHZLNNMIKX-PJSNJIKXSA-N 1 0 236.315 1.072 10 30 BDEERO CN(c1ccc(C#N)cc1)C1(C[NH3+])CCOCC1 ZINC000725001315 711642804 /nfs/dbraw/zinc/64/28/04/711642804.db2.gz FIZBVYNBHKAYOJ-UHFFFAOYSA-N 1 0 245.326 1.502 10 30 BDEERO Cc1ccc(C[NH2+]C(C)(C)CO)cc1C#N ZINC000701816135 712029942 /nfs/dbraw/zinc/02/99/42/712029942.db2.gz BSXMBVKPGYJKJZ-UHFFFAOYSA-N 1 0 218.300 1.727 10 30 BDEERO CC1(O)CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000705522832 712132618 /nfs/dbraw/zinc/13/26/18/712132618.db2.gz AEWIBGASTTWNOJ-IGJPJIBNSA-N 1 0 222.332 1.962 10 30 BDEERO CCC1([NH3+])CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000714752373 712497055 /nfs/dbraw/zinc/49/70/55/712497055.db2.gz HJOUFGBKXCEDCI-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715086829 712507483 /nfs/dbraw/zinc/50/74/83/712507483.db2.gz YVRUPVSAHHIIDY-XYPYZODXSA-N 1 0 230.315 1.719 10 30 BDEERO C=CC[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000715734851 712531105 /nfs/dbraw/zinc/53/11/05/712531105.db2.gz VJLMXAKQYXYUCE-VWYCJHECSA-N 1 0 211.305 1.692 10 30 BDEERO C=CCC1(O)CC[NH+](C[C@](C)(O)CC)CC1 ZINC000717422167 712657388 /nfs/dbraw/zinc/65/73/88/712657388.db2.gz DNRCHBNMIAOBFM-GFCCVEGCSA-N 1 0 227.348 1.550 10 30 BDEERO Cc1cc(N2C[C@H]([NH3+])C(C)(C)C2)cc(C#N)n1 ZINC000720757771 712864058 /nfs/dbraw/zinc/86/40/58/712864058.db2.gz OCMYTNBNICJXNY-LBPRGKRZSA-N 1 0 230.315 1.435 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1CCCC[NH2+]1 ZINC000685954306 538899194 /nfs/dbraw/zinc/89/91/94/538899194.db2.gz UZIDJSATPSKAJE-JTQLQIEISA-N 1 0 209.289 1.474 10 30 BDEERO CC(C)(C)OC(=O)C#CC12CCC(CC1)[NH2+]2 ZINC000685954708 538899440 /nfs/dbraw/zinc/89/94/40/538899440.db2.gz YXBLNBZZXPFWNP-UHFFFAOYSA-N 1 0 221.300 1.616 10 30 BDEERO C=C[C@@H](C)OCC(F)(F)CNC1CC1 ZINC000685957167 538903414 /nfs/dbraw/zinc/90/34/14/538903414.db2.gz SRYHDFWDWXIUHG-MRVPVSSYSA-N 1 0 205.248 1.965 10 30 BDEERO C=CC[C@@H](C=C)OCC(F)(F)CNC ZINC000685957044 538903610 /nfs/dbraw/zinc/90/36/10/538903610.db2.gz QMKISKZYACURIY-SECBINFHSA-N 1 0 205.248 1.988 10 30 BDEERO C=C1CCN(CC(F)(F)CNC)CC1 ZINC000685957581 538904873 /nfs/dbraw/zinc/90/48/73/538904873.db2.gz BKIICBZGDSTOEF-UHFFFAOYSA-N 1 0 204.264 1.493 10 30 BDEERO C#CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960540 538907666 /nfs/dbraw/zinc/90/76/66/538907666.db2.gz PSHCYUWISGFAHR-UHFFFAOYSA-N 1 0 201.269 1.759 10 30 BDEERO CC#CCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961655 538908756 /nfs/dbraw/zinc/90/87/56/538908756.db2.gz MZOKTEZJKOVRSS-DOMZBBRYSA-N 1 0 245.322 1.902 10 30 BDEERO CC[C@H](C)[NH2+]CC#CC(=O)OC(C)(C)C ZINC000685953021 538896746 /nfs/dbraw/zinc/89/67/46/538896746.db2.gz ISIDOTLIVPDYMC-JTQLQIEISA-N 1 0 211.305 1.720 10 30 BDEERO CC[C@H]([NH3+])CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000214667706 343980881 /nfs/dbraw/zinc/98/08/81/343980881.db2.gz CFWYIVXXIOVYTA-QMMMGPOBSA-N 1 0 235.247 1.011 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000308268709 178120582 /nfs/dbraw/zinc/12/05/82/178120582.db2.gz CUTRWXWGROTUJA-YGRLFVJLSA-N 1 0 244.342 1.648 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000119244807 136221934 /nfs/dbraw/zinc/22/19/34/136221934.db2.gz ZMGHIIIMQXGBQN-AWEZNQCLSA-N 1 0 246.358 1.630 10 30 BDEERO Cc1ccc(C#N)c(NC2CC[NH2+]CC2)n1 ZINC000043395909 178363190 /nfs/dbraw/zinc/36/31/90/178363190.db2.gz MDLZVTQKHKAHMM-UHFFFAOYSA-N 1 0 216.288 1.426 10 30 BDEERO Cc1ccc(C#N)c(OC[C@H]2CCC[NH2+]2)n1 ZINC000051866565 178366260 /nfs/dbraw/zinc/36/62/60/178366260.db2.gz ICGJEUKXTMCJAY-LLVKDONJSA-N 1 0 217.272 1.393 10 30 BDEERO C[C@H](C[C@H](C)[NH3+])Nc1ncc([N+](=O)[O-])cc1C#N ZINC000320159833 342732650 /nfs/dbraw/zinc/73/26/50/342732650.db2.gz VPHNNHVCHRDYQJ-JGVFFNPUSA-N 1 0 249.274 1.399 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000320159831 342732660 /nfs/dbraw/zinc/73/26/60/342732660.db2.gz VPHNNHVCHRDYQJ-HTQZYQBOSA-N 1 0 249.274 1.399 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000320465739 342734090 /nfs/dbraw/zinc/73/40/90/342734090.db2.gz FFOZLDFBGDWOTI-SCZZXKLOSA-N 1 0 218.304 1.799 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1ncccc1C#N ZINC000320735127 342736325 /nfs/dbraw/zinc/73/63/25/342736325.db2.gz UCSPTDVWFULAIH-BDAKNGLRSA-N 1 0 204.277 1.491 10 30 BDEERO N[NH+]=C(N)c1cc(Cl)cc(Cl)c1 ZINC000042013703 361924705 /nfs/dbraw/zinc/92/47/05/361924705.db2.gz GMCOMYSJPVVEAP-UHFFFAOYSA-N 1 0 204.060 1.572 10 30 BDEERO CCNC(=[NH+]N)c1ccccc1Br ZINC000042035673 361926707 /nfs/dbraw/zinc/92/67/07/361926707.db2.gz XJOLAXAHYFPWCI-UHFFFAOYSA-N 1 0 242.120 1.679 10 30 BDEERO CNC(=[NH+]N)c1ccccc1Br ZINC000042035315 361927102 /nfs/dbraw/zinc/92/71/02/361927102.db2.gz CJDNBKCUYDGGMY-UHFFFAOYSA-N 1 0 228.093 1.289 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335622112 136240007 /nfs/dbraw/zinc/24/00/07/136240007.db2.gz ZSBWNSYPCVAYJA-NEPJUHHUSA-N 1 0 206.289 1.615 10 30 BDEERO C=C(CC)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381247673 538996532 /nfs/dbraw/zinc/99/65/32/538996532.db2.gz OPTVSHZSEZDDGX-WCQYABFASA-N 1 0 224.348 1.799 10 30 BDEERO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000229981453 342861044 /nfs/dbraw/zinc/86/10/44/342861044.db2.gz LDMNTXGNEBCSDA-GRYCIOLGSA-N 1 0 210.321 1.675 10 30 BDEERO CC1(C)CC[N@H+](C[C@@H]2CO2)CCS1 ZINC000231043061 398322284 /nfs/dbraw/zinc/32/22/84/398322284.db2.gz JGGFVBUJFBLTMP-SECBINFHSA-N 1 0 201.335 1.603 10 30 BDEERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)C1=CCCCO1 ZINC000167701803 346900405 /nfs/dbraw/zinc/90/04/05/346900405.db2.gz KHUFASZHAWMTKE-VHSXEESVSA-N 1 0 209.289 1.767 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000602827821 349765067 /nfs/dbraw/zinc/76/50/67/349765067.db2.gz DLPRNGIATCNLBJ-DRZSPHRISA-N 1 0 247.342 1.422 10 30 BDEERO C[C@H]1C[C@](C#N)(NCc2ccccc2)CN1C ZINC000127129589 343234681 /nfs/dbraw/zinc/23/46/81/343234681.db2.gz NIQXGIJFAMINNF-GXTWGEPZSA-N 1 0 229.327 1.763 10 30 BDEERO N[NH+]=C(N)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127128930 343234840 /nfs/dbraw/zinc/23/48/40/343234840.db2.gz CSCTZFZFVCFOPY-WDSKDSINSA-N 1 0 209.215 1.586 10 30 BDEERO C#CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc21 ZINC000148213532 343389883 /nfs/dbraw/zinc/38/98/83/343389883.db2.gz YWXOKPPCZQDFNF-LBPRGKRZSA-N 1 0 216.240 1.805 10 30 BDEERO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826364 136373046 /nfs/dbraw/zinc/37/30/46/136373046.db2.gz QQJVDQXRXDLLLC-UTUOFQBUSA-N 1 0 218.304 1.553 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000054826042 136373256 /nfs/dbraw/zinc/37/32/56/136373256.db2.gz CFHHOBDNPXCBAS-SDDRHHMPSA-N 1 0 208.305 1.837 10 30 BDEERO Cc1nc(NCC2CC[NH2+]CC2)ccc1C#N ZINC000379879291 343647220 /nfs/dbraw/zinc/64/72/20/343647220.db2.gz UBXQJWUQCBTAHD-UHFFFAOYSA-N 1 0 230.315 1.095 10 30 BDEERO Cc1ccc(C[NH+]2CCC(C=O)CC2)o1 ZINC000054239281 343657492 /nfs/dbraw/zinc/65/74/92/343657492.db2.gz PHWKTXRAINRPQM-UHFFFAOYSA-N 1 0 207.273 1.999 10 30 BDEERO CC#CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023383 343693620 /nfs/dbraw/zinc/69/36/20/343693620.db2.gz BWEQNSLDTHGKRV-OLZOCXBDSA-N 1 0 207.317 1.637 10 30 BDEERO CC(C)(C=O)C[N@@H+]1CCCSCC1 ZINC000051204713 346985654 /nfs/dbraw/zinc/98/56/54/346985654.db2.gz AVXKAEZESVDNRJ-UHFFFAOYSA-N 1 0 201.335 1.650 10 30 BDEERO C#CCn1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC000409437133 343842274 /nfs/dbraw/zinc/84/22/74/343842274.db2.gz DUBSGWJWCARGIA-UHFFFAOYSA-N 1 0 229.205 1.181 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2cccc(OC)c2)C1 ZINC000409438847 343845446 /nfs/dbraw/zinc/84/54/46/343845446.db2.gz DSCVNMNGAJUWHN-ZDUSSCGKSA-N 1 0 231.299 1.163 10 30 BDEERO C#CCn1cc(C[NH2+]C)c(C(F)(F)F)n1 ZINC000409439651 343848008 /nfs/dbraw/zinc/84/80/08/343848008.db2.gz PZUAUWSGPPWWCA-UHFFFAOYSA-N 1 0 217.194 1.255 10 30 BDEERO CC[C@@H]1CN(c2nccc(C)c2C#N)CC[C@@H]1[NH3+] ZINC000135209258 343967351 /nfs/dbraw/zinc/96/73/51/343967351.db2.gz HMVGMTBENTVVCW-YPMHNXCESA-N 1 0 244.342 1.825 10 30 BDEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C#N)o2)C1 ZINC000247402091 344171645 /nfs/dbraw/zinc/17/16/45/344171645.db2.gz RERNFKFZCDBLHS-SMDDNHRTSA-N 1 0 247.342 1.970 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)nc1 ZINC000149435407 347046186 /nfs/dbraw/zinc/04/61/86/347046186.db2.gz ZTHGZTZXHOIRRE-CQSZACIVSA-N 1 0 244.342 1.874 10 30 BDEERO C#C[C@@H]([NH3+])[C@@H]1CSc2ccccc2O1 ZINC000236301413 344354130 /nfs/dbraw/zinc/35/41/30/344354130.db2.gz GJGHCRNMWQPEIT-SCZZXKLOSA-N 1 0 205.282 1.500 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(F)c1C#N ZINC000600956795 344408152 /nfs/dbraw/zinc/40/81/52/344408152.db2.gz IKTBUQVSRFJGSS-GZMMTYOYSA-N 1 0 219.263 1.860 10 30 BDEERO N#Cc1cncc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000600958261 344461145 /nfs/dbraw/zinc/46/11/45/344461145.db2.gz DQLGMUGPDJOOBK-JTQLQIEISA-N 1 0 231.303 1.056 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000600958335 344461749 /nfs/dbraw/zinc/46/17/49/344461749.db2.gz OIRHDIAXZTUDDE-WCBMZHEXSA-N 1 0 246.270 1.629 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000381354929 344496648 /nfs/dbraw/zinc/49/66/48/344496648.db2.gz IUQZYYDIMBZFTK-RQJHMYQMSA-N 1 0 235.247 1.009 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000381364981 344498126 /nfs/dbraw/zinc/49/81/26/344498126.db2.gz LCUALZKJZCRIHZ-RNFRBKRXSA-N 1 0 235.247 1.009 10 30 BDEERO Cc1ccc(C#N)c(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381373644 344498930 /nfs/dbraw/zinc/49/89/30/344498930.db2.gz NGZMTCNBAQGKAJ-IUCAKERBSA-N 1 0 204.277 1.409 10 30 BDEERO N#Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054305652 344526048 /nfs/dbraw/zinc/52/60/48/344526048.db2.gz JSGPKAKWPXSZFJ-LBPRGKRZSA-N 1 0 243.310 1.886 10 30 BDEERO Cc1cc(C)c(C#N)c(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381659924 344531719 /nfs/dbraw/zinc/53/17/19/344531719.db2.gz AFRNYEFCULRIDW-NXEZZACHSA-N 1 0 218.304 1.718 10 30 BDEERO C[C@@H](Nc1nc2c(cc1C#N)CCCC2)[C@H](C)[NH3+] ZINC000381720905 344540590 /nfs/dbraw/zinc/54/05/90/344540590.db2.gz JRQWYBIBZLRIAB-VHSXEESVSA-N 1 0 244.342 1.980 10 30 BDEERO C#CC[NH2+]CCN(CC)C(=O)OC(C)(C)C ZINC000227652283 344727211 /nfs/dbraw/zinc/72/72/11/344727211.db2.gz GCXDZCCNRNIZLQ-UHFFFAOYSA-N 1 0 226.320 1.466 10 30 BDEERO CCCCCCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122628073 344711982 /nfs/dbraw/zinc/71/19/82/344711982.db2.gz OQWXFUNGEJRTOX-VXGBXAGGSA-N 1 0 242.363 1.531 10 30 BDEERO C[C@@H](C#N)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235150985 344822925 /nfs/dbraw/zinc/82/29/25/344822925.db2.gz ZFVLCPHOKUAFTL-UWVGGRQHSA-N 1 0 241.335 1.649 10 30 BDEERO N#Cc1cccc(NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000131299000 344986383 /nfs/dbraw/zinc/98/63/83/344986383.db2.gz QNRFUCUKHSDADX-UHFFFAOYSA-N 1 0 246.270 1.630 10 30 BDEERO Cc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940478 178832073 /nfs/dbraw/zinc/83/20/73/178832073.db2.gz MQMVFMOMCJTTDO-CQSZACIVSA-N 1 0 229.327 1.855 10 30 BDEERO C[NH+](C)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000260501642 345146452 /nfs/dbraw/zinc/14/64/52/345146452.db2.gz TVPXUGBYYCLDSV-SDDRHHMPSA-N 1 0 207.321 1.315 10 30 BDEERO C#CC[N@H+]1CCCC[C@H]1[C@H]1CCCC1=O ZINC000227379228 345252268 /nfs/dbraw/zinc/25/22/68/345252268.db2.gz ZWXQWOWVAFFHHG-NEPJUHHUSA-N 1 0 205.301 1.843 10 30 BDEERO C[C@@H]([NH3+])CCNc1ccc(F)cc1C#N ZINC000082516571 345297942 /nfs/dbraw/zinc/29/79/42/345297942.db2.gz QUDKJMFKSHTXSW-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@H](C)[NH3+])n1 ZINC000082575428 345440706 /nfs/dbraw/zinc/44/07/06/345440706.db2.gz NXFMICBIEYFANV-QMMMGPOBSA-N 1 0 204.277 1.329 10 30 BDEERO Cc1nc(NCCC[NH2+]C(C)C)ccc1C#N ZINC000562829933 345510730 /nfs/dbraw/zinc/51/07/30/345510730.db2.gz CWMMMHMEFNVHGO-UHFFFAOYSA-N 1 0 232.331 1.484 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000300360363 345801391 /nfs/dbraw/zinc/80/13/91/345801391.db2.gz XOKFHYBAKMVQPT-VOAKCMCISA-N 1 0 222.332 1.819 10 30 BDEERO C#C[C@@H](O)c1ccc(OCCC[NH+](C)C)cc1 ZINC000143107485 345864567 /nfs/dbraw/zinc/86/45/67/345864567.db2.gz QCQMRNMNTDPXMJ-CQSZACIVSA-N 1 0 233.311 1.684 10 30 BDEERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000311155118 537918375 /nfs/dbraw/zinc/91/83/75/537918375.db2.gz WZVDKDCVSQWQPS-KGLIPLIRSA-N 1 0 246.310 1.140 10 30 BDEERO N#Cc1sc(NCC[NH3+])nc1Cl ZINC000236269298 346217903 /nfs/dbraw/zinc/21/79/03/346217903.db2.gz SXBAZVDYZGGDLM-UHFFFAOYSA-N 1 0 202.670 1.039 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1CSc2ccccc2O1 ZINC000236290227 346221048 /nfs/dbraw/zinc/22/10/48/346221048.db2.gz GJGHCRNMWQPEIT-WPRPVWTQSA-N 1 0 205.282 1.500 10 30 BDEERO Cc1ccnc(N[C@@H]2CC[C@H](C[NH3+])C2)c1C#N ZINC000382445585 346252665 /nfs/dbraw/zinc/25/26/65/346252665.db2.gz JEPUQEIQHGDOOT-WDEREUQCSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381835348 346536986 /nfs/dbraw/zinc/53/69/86/346536986.db2.gz XYSNDVVNDQQUKG-BDAKNGLRSA-N 1 0 204.277 1.409 10 30 BDEERO Cc1cc(NC[C@H]2C[NH2+]CCCO2)cc(C#N)n1 ZINC000308244850 346764676 /nfs/dbraw/zinc/76/46/76/346764676.db2.gz QBZACMWGRLNUEZ-CYBMUJFWSA-N 1 0 246.314 1.052 10 30 BDEERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)cc(C#N)n1 ZINC000308244703 346764686 /nfs/dbraw/zinc/76/46/86/346764686.db2.gz PNPMDEUOTRGCRY-NSHDSACASA-N 1 0 216.288 1.060 10 30 BDEERO CO[C@]1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCOC1 ZINC000159110565 347122412 /nfs/dbraw/zinc/12/24/12/347122412.db2.gz RGKSTBVJPMXSIT-WOPDTQHZSA-N 1 0 224.304 1.074 10 30 BDEERO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250535063 362808889 /nfs/dbraw/zinc/80/88/89/362808889.db2.gz XCIFRXFZCHFWEU-NEPJUHHUSA-N 1 0 205.301 1.843 10 30 BDEERO N#Cc1ccncc1NCCC1CC[NH2+]CC1 ZINC000593233108 347873195 /nfs/dbraw/zinc/87/31/95/347873195.db2.gz JCLNRORMHKOVTK-UHFFFAOYSA-N 1 0 230.315 1.755 10 30 BDEERO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000253022579 347877952 /nfs/dbraw/zinc/87/79/52/347877952.db2.gz LDMNTXGNEBCSDA-SDDRHHMPSA-N 1 0 210.321 1.675 10 30 BDEERO Cc1ccccc1[C@H](C[NH3+])N(CC#N)CC#N ZINC000043034072 179342313 /nfs/dbraw/zinc/34/23/13/179342313.db2.gz CDPCLBZVVNYSSV-ZDUSSCGKSA-N 1 0 228.299 1.344 10 30 BDEERO Cc1nc(N(C)CC(C)(C)[NH3+])ccc1C#N ZINC000594691952 348099626 /nfs/dbraw/zinc/09/96/26/348099626.db2.gz CMGKOIYLBWKVMN-UHFFFAOYSA-N 1 0 218.304 1.435 10 30 BDEERO Cc1cc(C#N)cc(N(C)CC(C)(C)[NH3+])n1 ZINC000594692309 348100403 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/nfs/dbraw/zinc/42/73/01/348427301.db2.gz HNPAFZPHXJOOFR-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO CC[C@H](CC#N)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597087882 348656487 /nfs/dbraw/zinc/65/64/87/348656487.db2.gz WFDSMOQHLHLMBH-IJLUTSLNSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@@]1(C#N)CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000601976129 349412250 /nfs/dbraw/zinc/41/22/50/349412250.db2.gz RZXLZXLKPPLWJT-UBHSHLNASA-N 1 0 247.342 1.138 10 30 BDEERO Cc1nc(NC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000309217016 180019183 /nfs/dbraw/zinc/01/91/83/180019183.db2.gz POAGHZNPFHIFDG-LLVKDONJSA-N 1 0 218.304 1.657 10 30 BDEERO CC(C)NC(=[NH2+])NCc1ccc2cc[nH]c2n1 ZINC000262358515 535124247 /nfs/dbraw/zinc/12/42/47/535124247.db2.gz IANUAVQOZSSQSP-UHFFFAOYSA-N 1 0 231.303 1.376 10 30 BDEERO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000309350328 350327701 /nfs/dbraw/zinc/32/77/01/350327701.db2.gz BROLZODGHSVJCD-TUAOUCFPSA-N 1 0 226.320 1.056 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000236138498 350730737 /nfs/dbraw/zinc/73/07/37/350730737.db2.gz DEWIQZJQCJABLE-NXEZZACHSA-N 1 0 232.274 1.940 10 30 BDEERO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)c(F)c1 ZINC000309560735 350775578 /nfs/dbraw/zinc/77/55/78/350775578.db2.gz JEENQASELGALAA-CMPLNLGQSA-N 1 0 220.247 1.168 10 30 BDEERO N#Cc1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616604129 350792519 /nfs/dbraw/zinc/79/25/19/350792519.db2.gz QWSRUFYMBYOPOK-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO N#Cc1ccc([C@H]2CCC[N@H+]2CCO)cc1 ZINC000616606511 350798428 /nfs/dbraw/zinc/79/84/28/350798428.db2.gz CAVDUSDKYXZHJM-CYBMUJFWSA-N 1 0 216.284 1.687 10 30 BDEERO N#Cc1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000616607730 350801751 /nfs/dbraw/zinc/80/17/51/350801751.db2.gz LYECOXDHPDCVPP-ZDUSSCGKSA-N 1 0 215.300 1.654 10 30 BDEERO O[C@@H]1CC[C@H]2C[N@H+](CCS)C[C@@H]2C1 ZINC000306691442 350845690 /nfs/dbraw/zinc/84/56/90/350845690.db2.gz QFXCVAQHVIUXAE-LPEHRKFASA-N 1 0 201.335 1.009 10 30 BDEERO N#Cc1ccccc1C1CCN(CC[NH3+])CC1 ZINC000616619497 350927731 /nfs/dbraw/zinc/92/77/31/350927731.db2.gz JSSLFUXISPCVCG-UHFFFAOYSA-N 1 0 229.327 1.696 10 30 BDEERO CN1CC[NH2+][C@@H](c2cccc(C#N)c2)C1 ZINC000616631756 351108395 /nfs/dbraw/zinc/10/83/95/351108395.db2.gz BQVVMFWIHDTZNI-GFCCVEGCSA-N 1 0 201.273 1.134 10 30 BDEERO CC[N@@H+]1CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000616632563 351112607 /nfs/dbraw/zinc/11/26/07/351112607.db2.gz LXXPZPIVIAYBOE-ZDUSSCGKSA-N 1 0 215.300 1.524 10 30 BDEERO COC(=O)N1CCNC[C@H]1c1cccc(C#N)c1 ZINC000616635667 351120577 /nfs/dbraw/zinc/12/05/77/351120577.db2.gz JUINMBMFDVBHMY-LBPRGKRZSA-N 1 0 245.282 1.271 10 30 BDEERO C=CCN(CC=C)C(=O)c1ccc(C[NH3+])cc1 ZINC000019434559 166333356 /nfs/dbraw/zinc/33/33/56/166333356.db2.gz XNLPTPCTKITXOZ-UHFFFAOYSA-N 1 0 230.311 1.960 10 30 BDEERO Cc1nc(N(C)[C@H](C)C[NH3+])ccc1C#N ZINC000382999236 351162824 /nfs/dbraw/zinc/16/28/24/351162824.db2.gz OTOOVGMKVUBLHN-MRVPVSSYSA-N 1 0 204.277 1.045 10 30 BDEERO C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616666076 351225650 /nfs/dbraw/zinc/22/56/50/351225650.db2.gz GGUHPDCZJLAIQS-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO C=C(Br)CNc1cc(N)cc[nH+]1 ZINC000168181636 351332249 /nfs/dbraw/zinc/33/22/49/351332249.db2.gz YVRGADQXZTWMSB-UHFFFAOYSA-N 1 0 228.093 1.984 10 30 BDEERO C=C(Br)CN1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000168318932 351375690 /nfs/dbraw/zinc/37/56/90/351375690.db2.gz GXTFRJPOGZRBPD-BBBLOLIVSA-N 1 0 247.180 1.953 10 30 BDEERO C=C(Br)CNC1=[NH+]CCC1 ZINC000168275195 351364009 /nfs/dbraw/zinc/36/40/09/351364009.db2.gz SSPPOTBKLBBQTH-UHFFFAOYSA-N 1 0 203.083 1.677 10 30 BDEERO N#CCCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000088022531 351512057 /nfs/dbraw/zinc/51/20/57/351512057.db2.gz ZMOMBHARXHLXLX-NWDGAFQWSA-N 1 0 208.305 1.527 10 30 BDEERO CC[NH2+]CCCNc1nc(C)cc(C#N)n1 ZINC000231942028 351475266 /nfs/dbraw/zinc/47/52/66/351475266.db2.gz GENZKZUKORPDRH-UHFFFAOYSA-N 1 0 219.292 1.068 10 30 BDEERO CN/C(=[NH+]/C)N1CCS[C@@H](C)CC1 ZINC000307257814 351795713 /nfs/dbraw/zinc/79/57/13/351795713.db2.gz PZXIGDLXAZRDCE-QMMMGPOBSA-N 1 0 201.339 1.019 10 30 BDEERO CN/C(=[NH+]/C)N1CCS[C@H](C)CC1 ZINC000307257811 351796024 /nfs/dbraw/zinc/79/60/24/351796024.db2.gz PZXIGDLXAZRDCE-MRVPVSSYSA-N 1 0 201.339 1.019 10 30 BDEERO C=CC[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000638472949 352285650 /nfs/dbraw/zinc/28/56/50/352285650.db2.gz XQIRCFCPWPQNIG-QWHCGFSZSA-N 1 0 236.359 1.801 10 30 BDEERO C[C@@H](CCC#N)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000411419791 191186552 /nfs/dbraw/zinc/18/65/52/191186552.db2.gz GTDLEPAPVSKBIY-WOPDTQHZSA-N 1 0 209.337 1.561 10 30 BDEERO CC(C)[C@H](C[NH+](C)C)Nc1ncc(N)cc1C#N ZINC000049194867 187780039 /nfs/dbraw/zinc/78/00/39/187780039.db2.gz YVWGYNYHKOYZTN-LBPRGKRZSA-N 1 0 247.346 1.534 10 30 BDEERO N#C[C@]1(Cc2cscn2)CCC[NH2+]C1 ZINC000307481350 352620627 /nfs/dbraw/zinc/62/06/27/352620627.db2.gz KVLSAEYOHOOJNJ-SNVBAGLBSA-N 1 0 207.302 1.579 10 30 BDEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336758102 353166193 /nfs/dbraw/zinc/16/61/93/353166193.db2.gz KMBFJRUBZASUJX-HBNTYKKESA-N 1 0 210.321 1.455 10 30 BDEERO CC(=O)NCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000383472475 353246617 /nfs/dbraw/zinc/24/66/17/353246617.db2.gz DZUQGBBIWMJOTP-NEPJUHHUSA-N 1 0 223.320 1.185 10 30 BDEERO C=C(Br)CO[C@@H]1CCC[C@@H]1[NH3+] ZINC000131344758 353373535 /nfs/dbraw/zinc/37/35/35/353373535.db2.gz JRHDBVMCSYGHEQ-JGVFFNPUSA-N 1 0 220.110 1.791 10 30 BDEERO N#Cc1ccc(NCCC[NH3+])cc1[N+](=O)[O-] ZINC000087100122 353379188 /nfs/dbraw/zinc/37/91/88/353379188.db2.gz AFFOUVAWDJYMTK-UHFFFAOYSA-N 1 0 220.232 1.227 10 30 BDEERO N#Cc1ccncc1N[C@H](CC[NH3+])C(F)F ZINC000383491297 353398043 /nfs/dbraw/zinc/39/80/43/353398043.db2.gz QGQPAGBWCGRWAU-MRVPVSSYSA-N 1 0 226.230 1.348 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000136246955 353613910 /nfs/dbraw/zinc/61/39/10/353613910.db2.gz BWGKNNVMDAQRKT-ZYHUDNBSSA-N 1 0 223.320 1.089 10 30 BDEERO CNC(=[NH+]N)c1ccc(C)c(Br)c1 ZINC000130543905 363245775 /nfs/dbraw/zinc/24/57/75/363245775.db2.gz KFUOFFAQTPMTLT-UHFFFAOYSA-N 1 0 242.120 1.597 10 30 BDEERO CC[NH2+]CC1CCN(c2ccncc2C#N)CC1 ZINC000399071341 353825915 /nfs/dbraw/zinc/82/59/15/353825915.db2.gz DWQNTEMBLMDOOX-UHFFFAOYSA-N 1 0 244.342 1.779 10 30 BDEERO N#CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220292896 353832812 /nfs/dbraw/zinc/83/28/12/353832812.db2.gz NRPLPJNXJUTIPY-OLZOCXBDSA-N 1 0 222.332 1.917 10 30 BDEERO COC(=O)[C@@H]1C(=O)C=C(NC(C)C)CC1(C)C ZINC000606303512 353859067 /nfs/dbraw/zinc/85/90/67/353859067.db2.gz OVNKQMZSJRKECS-NSHDSACASA-N 1 0 239.315 1.657 10 30 BDEERO N#CC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC000082927906 181031424 /nfs/dbraw/zinc/03/14/24/181031424.db2.gz XNIJIYYQGVKSNB-UHFFFAOYSA-N 1 0 204.248 1.970 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054825748 181061042 /nfs/dbraw/zinc/06/10/42/181061042.db2.gz WFONYVCMTRRFHH-SGMGOOAPSA-N 1 0 233.359 1.753 10 30 BDEERO N#C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000061890434 181068445 /nfs/dbraw/zinc/06/84/45/181068445.db2.gz PPIQEYGBFPYPSX-VXGBXAGGSA-N 1 0 235.331 1.185 10 30 BDEERO C=C(Br)CO[C@H]1CC[NH2+]C1 ZINC000051782656 188577556 /nfs/dbraw/zinc/57/75/56/188577556.db2.gz CFUHZDYGJJYFIC-ZETCQYMHSA-N 1 0 206.083 1.274 10 30 BDEERO N#Cc1ccc(C[NH3+])cc1Br ZINC000083346418 181102645 /nfs/dbraw/zinc/10/26/45/181102645.db2.gz AJLFVZCPQKPITD-UHFFFAOYSA-N 1 0 211.062 1.779 10 30 BDEERO N#Cc1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000054765011 181109503 /nfs/dbraw/zinc/10/95/03/181109503.db2.gz QISRUBSORTWCEU-UHFFFAOYSA-N 1 0 212.256 1.571 10 30 BDEERO N#CCc1cnc(Cl)n1[C@@H]1CCC[NH2+]C1 ZINC000521401720 259455166 /nfs/dbraw/zinc/45/51/66/259455166.db2.gz NQVYFGCPEWSDGR-MRVPVSSYSA-N 1 0 224.695 1.527 10 30 BDEERO N#Cc1ccc(OC2C[NH2+]C2)cc1Cl ZINC000062810043 181127373 /nfs/dbraw/zinc/12/73/73/181127373.db2.gz LUVMYLLHOTWOBA-UHFFFAOYSA-N 1 0 208.648 1.562 10 30 BDEERO N#Cc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000035598691 181130146 /nfs/dbraw/zinc/13/01/46/181130146.db2.gz BIFKIHMFPCGGMO-LBPRGKRZSA-N 1 0 202.257 1.609 10 30 BDEERO N#Cc1ccc2[nH]c([C@@H]3CC[NH2+]C3)nc2c1 ZINC000139766449 181131523 /nfs/dbraw/zinc/13/15/23/181131523.db2.gz BXOBLFASLLURRN-SECBINFHSA-N 1 0 212.256 1.511 10 30 BDEERO N#Cc1ccc2c(c1)CCC[C@@H]([NH3+])[C@@H]2O ZINC000008699490 181132354 /nfs/dbraw/zinc/13/23/54/181132354.db2.gz RLFWKGDFWFJUBT-VXGBXAGGSA-N 1 0 202.257 1.255 10 30 BDEERO C=CCNC1(C#N)CC[NH+](C(C)C)CC1 ZINC000051959952 166396482 /nfs/dbraw/zinc/39/64/82/166396482.db2.gz WPWBNGFOYPBSJX-UHFFFAOYSA-N 1 0 207.321 1.529 10 30 BDEERO N#Cc1ccccc1COC1CC[NH2+]CC1 ZINC000037390707 181147117 /nfs/dbraw/zinc/14/71/17/181147117.db2.gz UKWDYIJEOYALGD-UHFFFAOYSA-N 1 0 216.284 1.827 10 30 BDEERO N#Cc1ccc(NC2CC[NH2+]CC2)cn1 ZINC000122663706 363392560 /nfs/dbraw/zinc/39/25/60/363392560.db2.gz AZASEHGQNMAOED-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO N#Cc1ncccc1C[NH2+]CCc1ccncc1 ZINC000061657628 181170478 /nfs/dbraw/zinc/17/04/78/181170478.db2.gz NYJDTMWBQCNYCI-UHFFFAOYSA-N 1 0 238.294 1.681 10 30 BDEERO C=C(Cl)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113518468 355239607 /nfs/dbraw/zinc/23/96/07/355239607.db2.gz RAMNDJLSLMMNLA-WDEREUQCSA-N 1 0 214.740 1.907 10 30 BDEERO [NH2+]=C(Nc1ccccn1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190092505 181182201 /nfs/dbraw/zinc/18/22/01/181182201.db2.gz GQIDKFWOCWZKHT-GMTAPVOTSA-N 1 0 246.314 1.376 10 30 BDEERO N[NH+]=C(N)c1ccc(-c2ccccc2)cc1 ZINC000088383587 181183578 /nfs/dbraw/zinc/18/35/78/181183578.db2.gz HFAILLBPQGKJIX-UHFFFAOYSA-N 1 0 211.268 1.933 10 30 BDEERO N[NH+]=C(N)SCc1cc(F)ccc1Cl ZINC000166233794 355337481 /nfs/dbraw/zinc/33/74/81/355337481.db2.gz GULBUPUMGSJOPR-UHFFFAOYSA-N 1 0 233.699 1.901 10 30 BDEERO C=C(C)COCC[NH2+]C[C@H](O)C(C)(C)C ZINC000389340075 355973209 /nfs/dbraw/zinc/97/32/09/355973209.db2.gz QOVNDODDHMSASB-NSHDSACASA-N 1 0 215.337 1.576 10 30 BDEERO CC[C@]1(C(=O)C2=CCCCO2)CC[NH2+]C1 ZINC000167696155 356430814 /nfs/dbraw/zinc/43/08/14/356430814.db2.gz GLXRGIMGMIHGMS-LBPRGKRZSA-N 1 0 209.289 1.640 10 30 BDEERO COC(=O)[C@H]1CC[C@H](C#C[Si](C)(C)C)[NH2+]C1 ZINC000203784489 491097304 /nfs/dbraw/zinc/09/73/04/491097304.db2.gz FSOOKKHLCZDGTC-WDEREUQCSA-N 1 0 239.391 1.408 10 30 BDEERO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384509182 356662708 /nfs/dbraw/zinc/66/27/08/356662708.db2.gz ZEECIYXBDSYYKY-DCAQKATOSA-N 1 0 223.320 1.135 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CCC[C@@H]1O ZINC000168283789 356714132 /nfs/dbraw/zinc/71/41/32/356714132.db2.gz QFJHCSKEWJNBPS-SFYZADRCSA-N 1 0 220.110 1.398 10 30 BDEERO CCC[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000223762147 357051163 /nfs/dbraw/zinc/05/11/63/357051163.db2.gz FBFNBOZJZSVZOH-NSHDSACASA-N 1 0 217.272 1.624 10 30 BDEERO CC[N@@H+]1CC[C@H](NC(=O)C(C#N)(CC)CC)C1 ZINC000389672685 357012235 /nfs/dbraw/zinc/01/22/35/357012235.db2.gz FQBSTPXIEGNYDM-NSHDSACASA-N 1 0 237.347 1.527 10 30 BDEERO C#C[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300024303 357172814 /nfs/dbraw/zinc/17/28/14/357172814.db2.gz FOZYIXUFUYLTEX-JBDRJPRFSA-N 1 0 201.360 1.573 10 30 BDEERO C=CC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000583035332 357465764 /nfs/dbraw/zinc/46/57/64/357465764.db2.gz SQUDMTGLAAFBBN-CYBMUJFWSA-N 1 0 236.359 1.801 10 30 BDEERO CN(C)C(=[NH+][C@@H]1C[C@H]2OCCC[C@H]12)N(C)C ZINC000190092228 357683098 /nfs/dbraw/zinc/68/30/98/357683098.db2.gz NEHGNERROBXQOK-GMTAPVOTSA-N 1 0 225.336 1.033 10 30 BDEERO CC#CCN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000119169974 134225518 /nfs/dbraw/zinc/22/55/18/134225518.db2.gz GKYPWIMZZBLCTK-CYBMUJFWSA-N 1 0 224.348 1.052 10 30 BDEERO CCN(CC)C(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262561335 535390740 /nfs/dbraw/zinc/39/07/40/535390740.db2.gz WKRKHYKBWWFEFQ-BFHYXJOUSA-N 1 0 243.354 1.981 10 30 BDEERO Cc1cc(C)c(C#N)c(NCCC[NH3+])n1 ZINC000035672452 358087296 /nfs/dbraw/zinc/08/72/96/358087296.db2.gz HUEAIKKETPAATP-UHFFFAOYSA-N 1 0 204.277 1.331 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000385499901 358566350 /nfs/dbraw/zinc/56/63/50/358566350.db2.gz KDSXKFXWUGSEJD-QMTHXVAHSA-N 1 0 244.342 1.683 10 30 BDEERO C[C@@H]1CCC[N@@H+]1C[C@@]1(C=O)CCCOC1 ZINC000224149297 358615612 /nfs/dbraw/zinc/61/56/12/358615612.db2.gz CVSGPTWPFMNCSZ-VXGBXAGGSA-N 1 0 211.305 1.466 10 30 BDEERO O=C1CCCN1CC#CC[NH+]1CCCCC1 ZINC000001547711 359629280 /nfs/dbraw/zinc/62/92/80/359629280.db2.gz BPXJOVJSPDSBSN-UHFFFAOYSA-N 1 0 220.316 1.098 10 30 BDEERO NC(=[NH2+])NN=Cc1cc(Cl)sc1Cl ZINC000306341064 359660629 /nfs/dbraw/zinc/66/06/29/359660629.db2.gz CMARGUVUTSRTMR-BIIKFXOESA-N 1 0 237.115 1.872 10 30 BDEERO C#CCC[C@H]([NH3+])c1ncncc1Br ZINC000306455316 360046122 /nfs/dbraw/zinc/04/61/22/360046122.db2.gz OFKMYUZKZMMSGY-QMMMGPOBSA-N 1 0 240.104 1.652 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000306466350 360080004 /nfs/dbraw/zinc/08/00/04/360080004.db2.gz PJXDAHWTKGNCDG-JGVFFNPUSA-N 1 0 219.126 1.317 10 30 BDEERO CC#CC[C@@H]([NH3+])c1cnn(C)c1Br ZINC000306478112 360125029 /nfs/dbraw/zinc/12/50/29/360125029.db2.gz ZFYOMUAYLJXNAU-MRVPVSSYSA-N 1 0 242.120 1.596 10 30 BDEERO NC(=[NH2+])NN=Cc1cscc1Cl ZINC000306486602 360164666 /nfs/dbraw/zinc/16/46/66/360164666.db2.gz SJTQZMMCGNVUFE-BCTAIJSYSA-N 1 0 202.670 1.218 10 30 BDEERO CC(C)(C#N)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094460543 360309042 /nfs/dbraw/zinc/30/90/42/360309042.db2.gz DBCVMGHITBNSBS-GFCCVEGCSA-N 1 0 221.348 1.706 10 30 BDEERO Cc1cc(C#N)cc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000161054901 360440840 /nfs/dbraw/zinc/44/08/40/360440840.db2.gz ZFIFXHYNNIAMCF-LBPRGKRZSA-N 1 0 244.342 1.650 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000309670062 491154294 /nfs/dbraw/zinc/15/42/94/491154294.db2.gz JLZCCVVLTQSGIE-LLVKDONJSA-N 1 0 223.320 1.182 10 30 BDEERO N#CCc1c[nH+]cc(OC(F)(F)F)c1N ZINC000238660624 361172249 /nfs/dbraw/zinc/17/22/49/361172249.db2.gz MPTCJDIPJFWGES-UHFFFAOYSA-N 1 0 217.150 1.628 10 30 BDEERO N#Cc1ccc(C[NH3+])c(OC(F)(F)F)n1 ZINC000238677294 361176559 /nfs/dbraw/zinc/17/65/59/361176559.db2.gz PSSBTVBVHUWFHD-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO c1ccc2c(c1)CC[NH+](C[C@@H]1CO1)CC2 ZINC000070620772 361647530 /nfs/dbraw/zinc/64/75/30/361647530.db2.gz RQHHDLPSBQYUDQ-CYBMUJFWSA-N 1 0 203.285 1.486 10 30 BDEERO [NH3+]CC#Cc1ccccc1COC[C@@H]1CCCO1 ZINC000049610785 181345806 /nfs/dbraw/zinc/34/58/06/181345806.db2.gz FFNFPLOYFZIYFX-HNNXBMFYSA-N 1 0 245.322 1.692 10 30 BDEERO [NH3+]CC#Cc1ccc(CN2CCOC2=O)c(F)c1 ZINC000049610125 181346909 /nfs/dbraw/zinc/34/69/09/181346909.db2.gz QLHGHLLYDVRWGL-UHFFFAOYSA-N 1 0 248.257 1.088 10 30 BDEERO [NH3+]CC#Cc1ccc(OC[C@@H]2CCOC2)cc1 ZINC000049689764 181346945 /nfs/dbraw/zinc/34/69/45/181346945.db2.gz RNZWFWOSJQSKMJ-CYBMUJFWSA-N 1 0 231.295 1.412 10 30 BDEERO CCN(CC[NH3+])c1nc2c(cc1C#N)CCC2 ZINC000122833988 363886296 /nfs/dbraw/zinc/88/62/96/363886296.db2.gz KSUJLJXJYQWWGW-UHFFFAOYSA-N 1 0 230.315 1.227 10 30 BDEERO N#CCCOCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000338921889 365441966 /nfs/dbraw/zinc/44/19/66/365441966.db2.gz OPTATVCIVAXDSQ-QWHCGFSZSA-N 1 0 238.331 1.560 10 30 BDEERO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1C ZINC000383217652 367606581 /nfs/dbraw/zinc/60/65/81/367606581.db2.gz YPVLUJIWRJRCKI-QWHCGFSZSA-N 1 0 236.359 1.494 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384303878 367683191 /nfs/dbraw/zinc/68/31/91/367683191.db2.gz ZUEWMRSSXCAISN-NEPJUHHUSA-N 1 0 222.332 1.575 10 30 BDEERO N#Cc1ccc[n+](CC(=O)c2cccs2)c1 ZINC000048522971 368377524 /nfs/dbraw/zinc/37/75/24/368377524.db2.gz YYAOVMASDGPQDD-UHFFFAOYSA-N 1 0 229.284 1.790 10 30 BDEERO CC[C@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1[NH3+] ZINC000123047774 369277202 /nfs/dbraw/zinc/27/72/02/369277202.db2.gz DJLQWUZHCZLPPD-RYUDHWBXSA-N 1 0 230.315 1.517 10 30 BDEERO C[NH2+][C@H](C)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405125233 369446567 /nfs/dbraw/zinc/44/65/67/369446567.db2.gz YKYCAMQWFSXTMN-SECBINFHSA-N 1 0 229.283 1.008 10 30 BDEERO Cc1cc(NCC2([NH3+])CCOCC2)cc(C#N)n1 ZINC000600951960 369577313 /nfs/dbraw/zinc/57/73/13/369577313.db2.gz JULLLKPEDMPQPX-UHFFFAOYSA-N 1 0 246.314 1.182 10 30 BDEERO N#Cc1cc(N2CCCCC[C@H]([NH3+])C2)ncn1 ZINC000600958773 369577320 /nfs/dbraw/zinc/57/73/20/369577320.db2.gz KJEVQYUUTZOCLJ-JTQLQIEISA-N 1 0 231.303 1.056 10 30 BDEERO C[C@H]1CC[C@@H](Nc2ncccc2C#N)C[NH2+]1 ZINC000600956180 369577405 /nfs/dbraw/zinc/57/74/05/369577405.db2.gz XCXWNFZWXDVGAY-GXSJLCMTSA-N 1 0 216.288 1.506 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncccc1C#N)C2 ZINC000600956003 369577601 /nfs/dbraw/zinc/57/76/01/369577601.db2.gz MZWZDJNMVRAKBL-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO Cc1nc(N2CCCCC[C@H]([NH3+])C2)ccc1C#N ZINC000600958836 369576344 /nfs/dbraw/zinc/57/63/44/369576344.db2.gz MOYBDNJSYHDBBN-ZDUSSCGKSA-N 1 0 244.342 1.969 10 30 BDEERO Cc1cc(C#N)cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600862442 369569473 /nfs/dbraw/zinc/56/94/73/369569473.db2.gz BEWQNVDLONMWAE-BXKDBHETSA-N 1 0 230.315 1.814 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cc(C#N)n1 ZINC000600951005 369574863 /nfs/dbraw/zinc/57/48/63/369574863.db2.gz CXTDDYPHBOPCPJ-WDEREUQCSA-N 1 0 231.303 1.209 10 30 BDEERO Cc1nc(N2C[C@H](C)[C@H](C[NH3+])C2)ccc1C#N ZINC000600961734 369581164 /nfs/dbraw/zinc/58/11/64/369581164.db2.gz RKVIVHLSFQMAGT-JOYOIKCWSA-N 1 0 230.315 1.293 10 30 BDEERO CC[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1[NH3+] ZINC000251606897 369867276 /nfs/dbraw/zinc/86/72/76/369867276.db2.gz DJLQWUZHCZLPPD-NWDGAFQWSA-N 1 0 230.315 1.517 10 30 BDEERO CC[C@@H]1CN(c2nccc(C)c2C#N)CC[C@H]1[NH3+] ZINC000251671712 369895279 /nfs/dbraw/zinc/89/52/79/369895279.db2.gz HMVGMTBENTVVCW-DGCLKSJQSA-N 1 0 244.342 1.825 10 30 BDEERO N#Cc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310935199 370373043 /nfs/dbraw/zinc/37/30/43/370373043.db2.gz IGPKOZKJHAABMZ-ZNMIVQPWSA-N 1 0 241.338 1.727 10 30 BDEERO N#Cc1c(F)cccc1NC[C@H]1C[NH2+]CCCO1 ZINC000390216232 371191131 /nfs/dbraw/zinc/19/11/31/371191131.db2.gz MMAKRVOUVSLPPN-SNVBAGLBSA-N 1 0 249.289 1.488 10 30 BDEERO C#C[C@@H](CC)Nc1ncnc(N)c1Cl ZINC000230024409 371636883 /nfs/dbraw/zinc/63/68/83/371636883.db2.gz QIJODMRKJMHCAH-LURJTMIESA-N 1 0 210.668 1.536 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000227081208 371781017 /nfs/dbraw/zinc/78/10/17/371781017.db2.gz STHNCTOFSRCQCK-FDYHWXHSSA-N 1 0 222.332 1.962 10 30 BDEERO Cc1cc(C(N)=[NH+]N)cc(C)c1Br ZINC000162920085 371885721 /nfs/dbraw/zinc/88/57/21/371885721.db2.gz MLRBARIDRHASHU-UHFFFAOYSA-N 1 0 242.120 1.645 10 30 BDEERO CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000163171046 371943344 /nfs/dbraw/zinc/94/33/44/371943344.db2.gz BCGOCZLGXDNDPD-MNOVXSKESA-N 1 0 223.320 1.185 10 30 BDEERO C=C(Br)C[NH2+][C@@]1(C)CCOC1 ZINC000229453598 372153297 /nfs/dbraw/zinc/15/32/97/372153297.db2.gz WFJQUKITFRDLCJ-QMMMGPOBSA-N 1 0 220.110 1.664 10 30 BDEERO CC[P+](CC)(CC)C/C(=N/O)NC(N)=O ZINC000004277539 372192561 /nfs/dbraw/zinc/19/25/61/372192561.db2.gz VGSFWEILUCCHJQ-UHFFFAOYSA-O 1 0 234.260 1.520 10 30 BDEERO CCC[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049617720 169079717 /nfs/dbraw/zinc/07/97/17/169079717.db2.gz LVQWAYRUVFIDRN-UHFFFAOYSA-N 1 0 247.338 1.751 10 30 BDEERO CCC[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617731 169081478 /nfs/dbraw/zinc/08/14/78/169081478.db2.gz BHYVRRWSAWRHBN-UHFFFAOYSA-N 1 0 247.338 1.881 10 30 BDEERO CCCN(CC#N)CCC[NH+]1CCCC1 ZINC000045092750 169091619 /nfs/dbraw/zinc/09/16/19/169091619.db2.gz FKARUDWTNXLLFD-UHFFFAOYSA-N 1 0 209.337 1.708 10 30 BDEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[NH3+] ZINC000037809156 169175106 /nfs/dbraw/zinc/17/51/06/169175106.db2.gz BZOWXNLEWGAEQB-LLVKDONJSA-N 1 0 245.326 1.644 10 30 BDEERO CCCNC(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000037552789 169240178 /nfs/dbraw/zinc/24/01/78/169240178.db2.gz VZKCAVMRYMORRX-UHFFFAOYSA-N 1 0 231.299 1.528 10 30 BDEERO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000035046169 169246202 /nfs/dbraw/zinc/24/62/02/169246202.db2.gz DMDDMHSBYGCUNI-NSHDSACASA-N 1 0 245.326 1.563 10 30 BDEERO CCCOCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049611046 169309930 /nfs/dbraw/zinc/30/99/30/169309930.db2.gz BOHAKQZDIZXQRW-UHFFFAOYSA-N 1 0 233.311 1.932 10 30 BDEERO CCC[C@H](C(=O)N[C@@H](CC)CC#N)[NH+](C)C ZINC000183901221 134357413 /nfs/dbraw/zinc/35/74/13/134357413.db2.gz WBKVZRFTYDAWIJ-WDEREUQCSA-N 1 0 225.336 1.525 10 30 BDEERO CC(C)(C)OC(=O)[C@H]1CCC[C@]1([NH3+])C=O ZINC000091368746 384123343 /nfs/dbraw/zinc/12/33/43/384123343.db2.gz HXISAKDBCXECSZ-KCJUWKMLSA-N 1 0 213.277 1.025 10 30 BDEERO C[C@@H]([NH3+])[C@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000394459418 384204600 /nfs/dbraw/zinc/20/46/00/384204600.db2.gz KOZRLVCKPJBUBB-BDAKNGLRSA-N 1 0 230.315 1.590 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](CC#Cc2ccccc2)C1 ZINC000335590508 384354198 /nfs/dbraw/zinc/35/41/98/384354198.db2.gz PEKIIHVLFQVRGR-ZFWWWQNUSA-N 1 0 229.323 1.741 10 30 BDEERO C#CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000086929628 533057764 /nfs/dbraw/zinc/05/77/64/533057764.db2.gz AYNLTJCMJQEIQT-UONOGXRCSA-N 1 0 220.360 1.958 10 30 BDEERO C[C@@H](CC[NH3+])Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000310557407 384408623 /nfs/dbraw/zinc/40/86/23/384408623.db2.gz YZVQSHPHGLEERI-ZETCQYMHSA-N 1 0 235.247 1.011 10 30 BDEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249251504 384495475 /nfs/dbraw/zinc/49/54/75/384495475.db2.gz CDGMAMYEDYBFRS-IVZWLZJFSA-N 1 0 225.336 1.257 10 30 BDEERO C=CCOCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373202681 384554176 /nfs/dbraw/zinc/55/41/76/384554176.db2.gz DENSYWILDFEQOG-SRVKXCTJSA-N 1 0 225.332 1.592 10 30 BDEERO C=CCCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000220251241 384588194 /nfs/dbraw/zinc/58/81/94/384588194.db2.gz ZGEZWBHPADWBQU-GFCCVEGCSA-N 1 0 224.348 1.801 10 30 BDEERO CN(C[C@@H]1CCC[N@H+](C)C1)c1nccc(C#N)n1 ZINC000297236543 384630488 /nfs/dbraw/zinc/63/04/88/384630488.db2.gz UJGLYIPHSCPUER-LLVKDONJSA-N 1 0 245.330 1.126 10 30 BDEERO C[NH+](C)[C@@H]1CCN(c2cc(C#N)ccn2)C1 ZINC000071130147 384640155 /nfs/dbraw/zinc/64/01/55/384640155.db2.gz HRZQYMCEJKMDNE-LLVKDONJSA-N 1 0 216.288 1.094 10 30 BDEERO Cc1nnc(N2CC[C@H]([NH+](C)C)C2)c(C#N)c1C ZINC000071140023 384654600 /nfs/dbraw/zinc/65/46/00/384654600.db2.gz CYMVWJNYYYPHOL-NSHDSACASA-N 1 0 245.330 1.105 10 30 BDEERO N#Cc1ccc(NC2C[NH2+]C2)cc1Cl ZINC000084416802 384698390 /nfs/dbraw/zinc/69/83/90/384698390.db2.gz RIXOWBDBYJHWJE-UHFFFAOYSA-N 1 0 207.664 1.595 10 30 BDEERO C[NH+]1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054824967 384819256 /nfs/dbraw/zinc/81/92/56/384819256.db2.gz QMWPNMARDJEGSZ-WCQYABFASA-N 1 0 221.348 1.753 10 30 BDEERO C=CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152202054 385001488 /nfs/dbraw/zinc/00/14/88/385001488.db2.gz XVHVVJNIWFKHIX-GFCCVEGCSA-N 1 0 204.273 1.721 10 30 BDEERO CN(C)C(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246109777 385102769 /nfs/dbraw/zinc/10/27/69/385102769.db2.gz XHHZBRMFJWTCTN-QJPTWQEYSA-N 1 0 215.300 1.201 10 30 BDEERO C=CCN(C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643770584 385183609 /nfs/dbraw/zinc/18/36/09/385183609.db2.gz SINMIGQDTGRDPY-UHFFFAOYSA-N 1 0 240.347 1.037 10 30 BDEERO Cc1cnn(CC[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176965193 385187925 /nfs/dbraw/zinc/18/79/25/385187925.db2.gz MHGXNDUIYDJJJC-UHFFFAOYSA-N 1 0 246.339 1.915 10 30 BDEERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000320106146 385306274 /nfs/dbraw/zinc/30/62/74/385306274.db2.gz MZHMCEBSMSTKRC-SFYZADRCSA-N 1 0 249.274 1.399 10 30 BDEERO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309088910 385412407 /nfs/dbraw/zinc/41/24/07/385412407.db2.gz CQIXBTCHFTYFMZ-MNOVXSKESA-N 1 0 210.321 1.941 10 30 BDEERO Cc1cc(N[C@@H](C)CCC[NH3+])cc(C#N)n1 ZINC000308245660 385413947 /nfs/dbraw/zinc/41/39/47/385413947.db2.gz SIHGJTULUNTLQT-VIFPVBQESA-N 1 0 218.304 1.801 10 30 BDEERO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCC ZINC000309443638 385583973 /nfs/dbraw/zinc/58/39/73/385583973.db2.gz JFERJDAFLVGIOU-RYUDHWBXSA-N 1 0 224.348 1.847 10 30 BDEERO Cc1ccnc(N[C@H](C)CC[NH3+])c1C#N ZINC000308958746 385657330 /nfs/dbraw/zinc/65/73/30/385657330.db2.gz ZXSKZRPHBJAKIT-SECBINFHSA-N 1 0 204.277 1.411 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1cccnc1C#N ZINC000308978005 385674233 /nfs/dbraw/zinc/67/42/33/385674233.db2.gz CRBTYBPOQKQBPG-VIFPVBQESA-N 1 0 204.277 1.493 10 30 BDEERO C[C@@H](CCC[NH3+])Nc1ccnc(C#N)c1 ZINC000309027981 385713626 /nfs/dbraw/zinc/71/36/26/385713626.db2.gz ZHPUUNWYACSWHG-VIFPVBQESA-N 1 0 204.277 1.493 10 30 BDEERO CC[C@@H]1C[N@H+](CC)CCN1c1nccc(C#N)n1 ZINC000408458633 385719471 /nfs/dbraw/zinc/71/94/71/385719471.db2.gz UTMQSYJNWNHEQE-GFCCVEGCSA-N 1 0 245.330 1.269 10 30 BDEERO C[C@@H](CC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336690356 385721679 /nfs/dbraw/zinc/72/16/79/385721679.db2.gz HGOWUKIPSHZUKY-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc(C#N)c(C)n1 ZINC000309066259 385832980 /nfs/dbraw/zinc/83/29/80/385832980.db2.gz ZPYPFZHAFGCNAB-JTQLQIEISA-N 1 0 204.277 1.411 10 30 BDEERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc(C#N)c1 ZINC000309249305 386037015 /nfs/dbraw/zinc/03/70/15/386037015.db2.gz ZIMIOFMGLQDPQX-MFKMUULPSA-N 1 0 215.300 1.480 10 30 BDEERO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000320307552 386299576 /nfs/dbraw/zinc/29/95/76/386299576.db2.gz UAEBUPKTLXFYQY-VXGBXAGGSA-N 1 0 212.337 1.045 10 30 BDEERO N#CC1(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000425527167 386312619 /nfs/dbraw/zinc/31/26/19/386312619.db2.gz LSRXXHFCVFYHNZ-QJPTWQEYSA-N 1 0 220.316 1.383 10 30 BDEERO C[C@H]1[C@H](NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307416366 386648956 /nfs/dbraw/zinc/64/89/56/386648956.db2.gz LFZFPOCZSPQVIY-GXTWGEPZSA-N 1 0 229.327 1.763 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)ncc2C#N)C1 ZINC000399372988 386757487 /nfs/dbraw/zinc/75/74/87/386757487.db2.gz LDYQIVANGNMVOU-CYBMUJFWSA-N 1 0 244.342 1.580 10 30 BDEERO CN1CCC(C#N)(NC(=O)OC(C)(C)C)CC1 ZINC000040366409 387038682 /nfs/dbraw/zinc/03/86/82/387038682.db2.gz IRZRGXJRPINTQK-UHFFFAOYSA-N 1 0 239.319 1.499 10 30 BDEERO CC#CCC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187174318 387172595 /nfs/dbraw/zinc/17/25/95/387172595.db2.gz UCXDOQCBMYZQGT-UHFFFAOYSA-N 1 0 232.331 1.254 10 30 BDEERO C[C@H]1C[C@@](C#N)(NCc2ccccc2)CC[NH2+]1 ZINC000575513098 387385228 /nfs/dbraw/zinc/38/52/28/387385228.db2.gz ZHEMFRJBCDWJDG-JSGCOSHPSA-N 1 0 229.327 1.810 10 30 BDEERO [NH3+]CCC#Cc1ccc(Br)cn1 ZINC000575508995 387392264 /nfs/dbraw/zinc/39/22/64/387392264.db2.gz UIRLIRCRWQBKGC-UHFFFAOYSA-N 1 0 225.089 1.544 10 30 BDEERO CC(C)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424071691 387476100 /nfs/dbraw/zinc/47/61/00/387476100.db2.gz BUNGXMGEPFNYBR-ZJUUUORDSA-N 1 0 211.309 1.168 10 30 BDEERO [NH3+]CC#Cc1c(F)ccc(F)c1Cl ZINC000575544027 387592253 /nfs/dbraw/zinc/59/22/53/387592253.db2.gz SPADQJWZNZTCDB-UHFFFAOYSA-N 1 0 201.603 1.928 10 30 BDEERO N#C[C@]1(NCc2ccccc2)CCC[NH2+]CC1 ZINC000575568059 387735873 /nfs/dbraw/zinc/73/58/73/387735873.db2.gz DHZFLFZNABJNAH-AWEZNQCLSA-N 1 0 229.327 1.812 10 30 BDEERO C=CCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643479546 387850114 /nfs/dbraw/zinc/85/01/14/387850114.db2.gz QKADATJGFDITRZ-NWDGAFQWSA-N 1 0 212.337 1.167 10 30 BDEERO C#CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195355284 387911522 /nfs/dbraw/zinc/91/15/22/387911522.db2.gz LHESWLNTPMNODF-JTQLQIEISA-N 1 0 206.314 1.956 10 30 BDEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)C#N ZINC000083704099 388059635 /nfs/dbraw/zinc/05/96/35/388059635.db2.gz LEHLIVJIGSJBRS-VXGBXAGGSA-N 1 0 249.358 1.621 10 30 BDEERO C=CC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000645963851 388092003 /nfs/dbraw/zinc/09/20/03/388092003.db2.gz XZSWIJIGGOQPLY-GFCCVEGCSA-N 1 0 224.348 1.784 10 30 BDEERO N#Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000517904821 256553914 /nfs/dbraw/zinc/55/39/14/256553914.db2.gz RPOSJSBEDZEBOE-CQSZACIVSA-N 1 0 242.326 1.533 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000491566480 388303911 /nfs/dbraw/zinc/30/39/11/388303911.db2.gz GSFGNKQRUPWAAS-NSHDSACASA-N 1 0 234.343 1.437 10 30 BDEERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)c(C#N)cn1 ZINC000596026702 388400433 /nfs/dbraw/zinc/40/04/33/388400433.db2.gz KGILIPTZHUNISL-GFCCVEGCSA-N 1 0 232.331 1.469 10 30 BDEERO Cc1cc(NCC23CC(C2)C[NH2+]3)cc(C#N)n1 ZINC000596026310 388400605 /nfs/dbraw/zinc/40/06/05/388400605.db2.gz GDBITVUSMKCJRD-UHFFFAOYSA-N 1 0 228.299 1.426 10 30 BDEERO C=C(C)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116312571 533512414 /nfs/dbraw/zinc/51/24/14/533512414.db2.gz RSWRBZRWMWTHIP-NSHDSACASA-N 1 0 205.305 1.786 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nccc(C#N)n1 ZINC000297185138 132221483 /nfs/dbraw/zinc/22/14/83/132221483.db2.gz QGCFBVQTIPKUJK-JQWIXIFHSA-N 1 0 243.314 1.021 10 30 BDEERO Cc1nc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1C#N ZINC000291572967 132242233 /nfs/dbraw/zinc/24/22/33/132242233.db2.gz FCHXTLSWNPHWFE-ZDUSSCGKSA-N 1 0 242.326 1.546 10 30 BDEERO N#Cc1ccnc(N2CC[NH+](C3CCC3)CC2)n1 ZINC000297126046 132308119 /nfs/dbraw/zinc/30/81/19/132308119.db2.gz MUGYPBBAPURYEK-UHFFFAOYSA-N 1 0 243.314 1.023 10 30 BDEERO N#CCCC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000035081316 132337610 /nfs/dbraw/zinc/33/76/10/132337610.db2.gz NKUHOGHXACQESI-UHFFFAOYSA-N 1 0 244.342 1.695 10 30 BDEERO Cc1cc(C)c(C#N)c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC000053712224 132363555 /nfs/dbraw/zinc/36/35/55/132363555.db2.gz HOKBAMPKZHOJNP-RYUDHWBXSA-N 1 0 244.342 1.757 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1ncccc1C#N ZINC000063169436 132389584 /nfs/dbraw/zinc/38/95/84/132389584.db2.gz OWOMJRCUQYDGHK-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO C[C@@H]1CCN(c2ncccc2C#N)[C@@H](C[NH3+])C1 ZINC000235386742 132395304 /nfs/dbraw/zinc/39/53/04/132395304.db2.gz PLZINLUFKZANAO-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CCN(c2cc(C#N)ccn2)[C@@H](C[NH3+])C1 ZINC000235662703 132401722 /nfs/dbraw/zinc/40/17/22/132401722.db2.gz KOGSAWHQALSWKM-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO C=CCOCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000304268972 134237127 /nfs/dbraw/zinc/23/71/27/134237127.db2.gz VJQAQRIRWONYFV-OLZOCXBDSA-N 1 0 224.348 1.358 10 30 BDEERO N#CCC[C@@H](C#N)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178973425 134314209 /nfs/dbraw/zinc/31/42/09/134314209.db2.gz NXOJPIQTFJWBIH-KBPBESRZSA-N 1 0 246.358 1.600 10 30 BDEERO C[C@H](CC#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220900829 134314809 /nfs/dbraw/zinc/31/48/09/134314809.db2.gz HWBGDSHMIIHJFQ-FRRDWIJNSA-N 1 0 221.348 1.705 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000226611347 134368139 /nfs/dbraw/zinc/36/81/39/134368139.db2.gz TVCUAIDMCCHULU-SRVKXCTJSA-N 1 0 208.305 1.837 10 30 BDEERO N#Cc1ccccc1C[N@H+]1CC[C@H](CCO)C1 ZINC000227571596 134383073 /nfs/dbraw/zinc/38/30/73/134383073.db2.gz MQTMOYNLGJYXAZ-GFCCVEGCSA-N 1 0 230.311 1.763 10 30 BDEERO C=C(Br)CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000153535776 134639286 /nfs/dbraw/zinc/63/92/86/134639286.db2.gz ZGCUAEWMPVJONV-YUMQZZPRSA-N 1 0 247.136 1.139 10 30 BDEERO C[C@H](C#N)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248021285 135001187 /nfs/dbraw/zinc/00/11/87/135001187.db2.gz NWCZOGWLPKBHIR-UTUOFQBUSA-N 1 0 207.321 1.315 10 30 BDEERO Cc1c(CN[C@H]2CCC[C@@H]2C#N)cnn1C ZINC000086552079 135089829 /nfs/dbraw/zinc/08/98/29/135089829.db2.gz SXKACGWAOVCKCW-PWSUYJOCSA-N 1 0 218.304 1.510 10 30 BDEERO C#CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000086929565 135102426 /nfs/dbraw/zinc/10/24/26/135102426.db2.gz VUTHDJNYROCSAF-QWHCGFSZSA-N 1 0 206.333 1.568 10 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10 30 BDEERO [NH2+]=C(N[C@H]1COc2ccccc21)N1CCC1 ZINC000263076762 135331304 /nfs/dbraw/zinc/33/13/04/135331304.db2.gz HFIVQJPEACNZQL-JTQLQIEISA-N 1 0 217.272 1.141 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NCc1ccc(C#N)s1 ZINC000263081164 135331539 /nfs/dbraw/zinc/33/15/39/135331539.db2.gz HSCANSMJMFZEPP-QMMMGPOBSA-N 1 0 236.344 1.823 10 30 BDEERO CN(C(=[NH2+])NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CC1 ZINC000263090472 135331845 /nfs/dbraw/zinc/33/18/45/135331845.db2.gz ISJKUQUBUGGPGV-GRYCIOLGSA-N 1 0 233.359 1.998 10 30 BDEERO CN1CCC[NH+]=C1NCc1ccc(C#N)s1 ZINC000263128675 135335060 /nfs/dbraw/zinc/33/50/60/135335060.db2.gz MUFIZBUAUDBDOX-UHFFFAOYSA-N 1 0 234.328 1.401 10 30 BDEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263160772 135336135 /nfs/dbraw/zinc/33/61/35/135336135.db2.gz OTVLGPUZUXBKAF-ACZMJKKPSA-N 1 0 205.252 1.343 10 30 BDEERO C[NH+]=C(N[C@@H]1C[C@H]1C)NC1CCCCC1 ZINC000263232867 135341278 /nfs/dbraw/zinc/34/12/78/135341278.db2.gz IODBFFFFLXGIML-MWLCHTKSSA-N 1 0 209.337 1.893 10 30 BDEERO C[C@@H](CC#N)N(C)CC1([NH+](C)C)CCC1 ZINC000097927965 135632331 /nfs/dbraw/zinc/63/23/31/135632331.db2.gz HGMZKVFNCZVQJE-NSHDSACASA-N 1 0 209.337 1.705 10 30 BDEERO CNC(N[C@@H]1CCCSCC1)=[NH+]C ZINC000575519042 397975608 /nfs/dbraw/zinc/97/56/08/397975608.db2.gz YOMBNJFKVWNTHT-MRVPVSSYSA-N 1 0 201.339 1.067 10 30 BDEERO C=CC[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662629317 409801611 /nfs/dbraw/zinc/80/16/11/409801611.db2.gz AVNJINTWGQEUGG-STQMWFEESA-N 1 0 236.359 1.801 10 30 BDEERO C#CC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000036281231 166108373 /nfs/dbraw/zinc/10/83/73/166108373.db2.gz INIXVOATZHJJAE-UHFFFAOYSA-N 1 0 202.257 1.368 10 30 BDEERO C#CC[NH2+]C[C@@H](C)N(C)CCc1ccncc1 ZINC000053492679 166186732 /nfs/dbraw/zinc/18/67/32/166186732.db2.gz BCQKILXZHDCGFB-CYBMUJFWSA-N 1 0 231.343 1.167 10 30 BDEERO C#CC[NH2+]CCn1c(C)nc2ccccc21 ZINC000049900612 166187605 /nfs/dbraw/zinc/18/76/05/166187605.db2.gz PKRLGRYDZJPKQR-UHFFFAOYSA-N 1 0 213.284 1.568 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019875582 166191325 /nfs/dbraw/zinc/19/13/25/166191325.db2.gz IFXJBHOEKHIZCU-VIFPVBQESA-N 1 0 205.257 1.685 10 30 BDEERO C#CCOc1c(OC)cc(C[C@H](C)[NH3+])cc1OC ZINC000037728668 166197675 /nfs/dbraw/zinc/19/76/75/166197675.db2.gz IQPVHGIGMCRFNY-JTQLQIEISA-N 1 0 249.310 1.606 10 30 BDEERO C#CCOc1cc2c(cc1C[NH2+]C(C)C)OCO2 ZINC000042874858 166197772 /nfs/dbraw/zinc/19/77/72/166197772.db2.gz CIUYXGIERKVSQU-UHFFFAOYSA-N 1 0 247.294 1.925 10 30 BDEERO C(#Cc1ccccc1)CN1CCC[NH2+]CC1 ZINC000051813822 166226117 /nfs/dbraw/zinc/22/61/17/166226117.db2.gz LSJUXCYTDSLLJS-UHFFFAOYSA-N 1 0 214.312 1.333 10 30 BDEERO C=CCN(Cc1ccccc1C)C(=O)CC[NH3+] ZINC000033464766 166345386 /nfs/dbraw/zinc/34/53/86/166345386.db2.gz CFPAZVGHCOAHQH-UHFFFAOYSA-N 1 0 232.327 1.858 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000271994260 166369615 /nfs/dbraw/zinc/36/96/15/166369615.db2.gz GUFZDKVWPHWEFC-JTQLQIEISA-N 1 0 212.337 1.703 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000051670015 166381944 /nfs/dbraw/zinc/38/19/44/166381944.db2.gz AINGDVLYIXIODR-CYBMUJFWSA-N 1 0 246.354 1.818 10 30 BDEERO C=CCNC(=O)[C@@H](C)[NH2+]CCOC1CCCC1 ZINC000104447729 166383048 /nfs/dbraw/zinc/38/30/48/166383048.db2.gz SKRASFLJFNOXNU-LLVKDONJSA-N 1 0 240.347 1.226 10 30 BDEERO C=CCNC(=O)[C@H](C)Oc1cccc(CC[NH3+])c1 ZINC000037721287 166388270 /nfs/dbraw/zinc/38/82/70/166388270.db2.gz WSAOTSCEQITIPE-NSHDSACASA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@H](C)OCC[C@H]1CCCC[NH2+]1 ZINC000051861770 166388733 /nfs/dbraw/zinc/38/87/33/166388733.db2.gz ULIKVUWJPGTZOQ-NWDGAFQWSA-N 1 0 240.347 1.226 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749234 166389212 /nfs/dbraw/zinc/38/92/12/166389212.db2.gz NFFWWBMSORIXPD-NSHDSACASA-N 1 0 243.310 1.339 10 30 BDEERO CC(C)[NH2+][C@H](C(N)=O)c1cccc(C#N)c1 ZINC000037943546 167138642 /nfs/dbraw/zinc/13/86/42/167138642.db2.gz VILKZTHTVDQBFQ-NSHDSACASA-N 1 0 217.272 1.083 10 30 BDEERO CC(C)[C@@H](C#N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942969 167339933 /nfs/dbraw/zinc/33/99/33/167339933.db2.gz VCMAXKRENGVGSD-CHWSQXEVSA-N 1 0 249.358 1.479 10 30 BDEERO C[C@@H]([NH3+])[C@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000132952432 411181696 /nfs/dbraw/zinc/18/16/96/411181696.db2.gz LLGANCQACGPENA-NOZJJQNGSA-N 1 0 249.289 1.250 10 30 BDEERO C[C@H](CC#N)[NH2+]C1(CO)CCC(C)CC1 ZINC000053118557 168156599 /nfs/dbraw/zinc/15/65/99/168156599.db2.gz PVCHMGKGUKEBFT-MOENNCHZSA-N 1 0 210.321 1.819 10 30 BDEERO CCC(=O)Nc1ccc(C)cc1C#CC[NH3+] ZINC000037654048 168243694 /nfs/dbraw/zinc/24/36/94/168243694.db2.gz VADHKYYYDRWDJF-UHFFFAOYSA-N 1 0 216.284 1.654 10 30 BDEERO CCN(C[C@H](C)C#N)C(=O)CC1CC[NH2+]CC1 ZINC000038075966 169888659 /nfs/dbraw/zinc/88/86/59/169888659.db2.gz VDVJNCLFJFPNDZ-LLVKDONJSA-N 1 0 237.347 1.384 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890395 170107105 /nfs/dbraw/zinc/10/71/05/170107105.db2.gz CBBZJCCTOQASCY-ZJUUUORDSA-N 1 0 223.320 1.183 10 30 BDEERO CC[NH2+]C(C)(C)C(=O)NCc1cccc(C#N)c1 ZINC000061293382 170107282 /nfs/dbraw/zinc/10/72/82/170107282.db2.gz WQLPPVLUSFCQOJ-UHFFFAOYSA-N 1 0 245.326 1.563 10 30 BDEERO CC[C@@]1(C(=O)N(C)C[C@H](C)C#N)CCC[NH2+]C1 ZINC000062857647 171194376 /nfs/dbraw/zinc/19/43/76/171194376.db2.gz MZUBDAMMEUGJIB-DGCLKSJQSA-N 1 0 237.347 1.384 10 30 BDEERO CC[C@H](C)N[C@]1(C#N)CN2CCC1CC2 ZINC000038064431 171348732 /nfs/dbraw/zinc/34/87/32/171348732.db2.gz KFDIQZOACAXVFB-CMPLNLGQSA-N 1 0 207.321 1.362 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000662631860 412250345 /nfs/dbraw/zinc/25/03/45/412250345.db2.gz ZFKBRZMGEOZOPW-JHJVBQTASA-N 1 0 236.359 1.657 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@@H]([NH3+])CCC ZINC000662952059 412352672 /nfs/dbraw/zinc/35/26/72/412352672.db2.gz CBMZJAXEJWKZDW-JTQLQIEISA-N 1 0 212.337 1.975 10 30 BDEERO CCc1nnc(NCC[C@H](C)[NH3+])c(C#N)c1CC ZINC000124162235 172059693 /nfs/dbraw/zinc/05/96/93/172059693.db2.gz WNGIXTLZUDZFLE-VIFPVBQESA-N 1 0 247.346 1.622 10 30 BDEERO CN(C(=O)C1([NH3+])CCCC1)c1ccc(C#N)cc1 ZINC000061980610 172297302 /nfs/dbraw/zinc/29/73/02/172297302.db2.gz KKRDMXKMZJVVPQ-UHFFFAOYSA-N 1 0 243.310 1.793 10 30 BDEERO C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000042277164 173020592 /nfs/dbraw/zinc/02/05/92/173020592.db2.gz BTSLFDHQQGWSRD-LLVKDONJSA-N 1 0 216.288 1.459 10 30 BDEERO CN(Cc1cccnc1C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071189161 173112791 /nfs/dbraw/zinc/11/27/91/173112791.db2.gz DUSYPWBVRDAHPI-GFCCVEGCSA-N 1 0 244.342 1.337 10 30 BDEERO C[NH2+]C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000071143851 173369712 /nfs/dbraw/zinc/36/97/12/173369712.db2.gz FYGLDTZKFGIWLX-AWEZNQCLSA-N 1 0 242.322 1.106 10 30 BDEERO CO/N=C(\c1ccccc1)c1cccc[n+]1C ZINC000001871894 173492160 /nfs/dbraw/zinc/49/21/60/173492160.db2.gz NFPJIXFTNWIVCA-CCEZHUSRSA-N 1 0 227.287 1.910 10 30 BDEERO COCC[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049614800 174280940 /nfs/dbraw/zinc/28/09/40/174280940.db2.gz INSFLVSBLOMVJN-UHFFFAOYSA-N 1 0 233.311 1.109 10 30 BDEERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054598534 174335202 /nfs/dbraw/zinc/33/52/02/174335202.db2.gz KDLAMWRBYIJGGT-ZIAGYGMSSA-N 1 0 230.311 1.898 10 30 BDEERO COc1ccc(CC[NH2+]C[C@H](C)C#N)cc1OC ZINC000036667852 175091344 /nfs/dbraw/zinc/09/13/44/175091344.db2.gz MJSPMFDMAKIZIW-LLVKDONJSA-N 1 0 248.326 1.996 10 30 BDEERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)CCC#N)c1 ZINC000043026037 175295810 /nfs/dbraw/zinc/29/58/10/175295810.db2.gz WDHZEQBBPJGIGO-RISCZKNCSA-N 1 0 247.342 1.929 10 30 BDEERO C[C@@H](C#N)CN(C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915508 175596299 /nfs/dbraw/zinc/59/62/99/175596299.db2.gz BKGYGWYOIXBWJO-GWCFXTLKSA-N 1 0 235.306 1.917 10 30 BDEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000104228686 176329533 /nfs/dbraw/zinc/32/95/33/176329533.db2.gz ZORAPFIEQXTIIB-MFKMUULPSA-N 1 0 243.310 1.547 10 30 BDEERO C[C@@](N)(C#N)CC[NH+]1CCCCCCC1 ZINC000045178498 176509579 /nfs/dbraw/zinc/50/95/79/176509579.db2.gz HBRMQGLQOWTCII-LBPRGKRZSA-N 1 0 209.337 1.884 10 30 BDEERO C[C@H]([NH3+])c1ccc(-n2cnc(C#N)n2)c(Cl)c1 ZINC000061842296 176775501 /nfs/dbraw/zinc/77/55/01/176775501.db2.gz DBYOGTVYSBWGLR-ZETCQYMHSA-N 1 0 247.689 1.812 10 30 BDEERO C[C@H](S)[C@@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083663901 177026329 /nfs/dbraw/zinc/02/63/29/177026329.db2.gz SFSPDSYQCYNMPH-CPCISQLKSA-N 1 0 209.314 1.897 10 30 BDEERO C[C@H]1CCCN1C(=O)c1cccc(C#CC[NH3+])c1 ZINC000037912570 177107774 /nfs/dbraw/zinc/10/77/74/177107774.db2.gz QXEMDJTVODUVOX-LBPRGKRZSA-N 1 0 242.322 1.621 10 30 BDEERO C[C@H]1CCC[C@](C#N)(N2CCC[NH2+]CC2)C1 ZINC000037940409 177143886 /nfs/dbraw/zinc/14/38/86/177143886.db2.gz GBTKTNSJUWRDTQ-STQMWFEESA-N 1 0 221.348 1.754 10 30 BDEERO C[C@H]1CN(Cc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC000300049458 177263864 /nfs/dbraw/zinc/26/38/64/177263864.db2.gz RXBQZQTULKBFCX-GXFFZTMASA-N 1 0 215.300 1.337 10 30 BDEERO C[C@H]1C[C@@H]1C(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586295 177340457 /nfs/dbraw/zinc/34/04/57/177340457.db2.gz KVLIWSNHMPIVSL-FZMZJTMJSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586409 177340788 /nfs/dbraw/zinc/34/07/88/177340788.db2.gz UPEYFMMOVOSJSO-FZMZJTMJSA-N 1 0 242.322 1.269 10 30 BDEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336736351 177393414 /nfs/dbraw/zinc/39/34/14/177393414.db2.gz ITFNWJBAHBHWAK-ZJUUUORDSA-N 1 0 223.320 1.183 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000394453905 267168764 /nfs/dbraw/zinc/16/87/64/267168764.db2.gz IGCWNZQKILTRQE-YUMQZZPRSA-N 1 0 234.259 1.614 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000135748696 325426002 /nfs/dbraw/zinc/42/60/02/325426002.db2.gz CPOYRRNKVJGFAP-QWHCGFSZSA-N 1 0 249.358 1.671 10 30 BDEERO CC[N@@H+]1CCC[C@@H](Nc2cc(C#N)ncn2)C1 ZINC000310086599 326183466 /nfs/dbraw/zinc/18/34/66/326183466.db2.gz NYQSKOLEGFOBAX-SNVBAGLBSA-N 1 0 231.303 1.244 10 30 BDEERO C=CCCCCC[N@H+]1CCOC[C@@H]1CO ZINC000236499798 488067291 /nfs/dbraw/zinc/06/72/91/488067291.db2.gz JPXXLWFEZVERHM-LBPRGKRZSA-N 1 0 213.321 1.426 10 30 BDEERO CC#CCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000129811358 490171183 /nfs/dbraw/zinc/17/11/83/490171183.db2.gz UGOZCXCRYLHKNY-ZIAGYGMSSA-N 1 0 220.360 1.958 10 30 BDEERO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000230671238 491130569 /nfs/dbraw/zinc/13/05/69/491130569.db2.gz IVVHQHIWEODRGQ-CHWSQXEVSA-N 1 0 226.364 1.651 10 30 BDEERO C=CC[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000117037508 534337038 /nfs/dbraw/zinc/33/70/38/534337038.db2.gz JZCGPYJWWDBAIR-NWDGAFQWSA-N 1 0 239.363 1.735 10 30 BDEERO C=C(Cl)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919550 534438177 /nfs/dbraw/zinc/43/81/77/534438177.db2.gz NTZXAFBGFBROAY-NSHDSACASA-N 1 0 240.738 1.743 10 30 BDEERO C=CCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261538451 534609420 /nfs/dbraw/zinc/60/94/20/534609420.db2.gz YEJMZATZRGFOID-JTQLQIEISA-N 1 0 210.321 1.538 10 30 BDEERO C=CCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175695326 534650823 /nfs/dbraw/zinc/65/08/23/534650823.db2.gz SAKZWOJNKBAKBB-GFCCVEGCSA-N 1 0 240.347 1.132 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189324394 534752709 /nfs/dbraw/zinc/75/27/09/534752709.db2.gz VHLYSJLMGPEAQW-GRYCIOLGSA-N 1 0 240.347 1.224 10 30 BDEERO CC(C)NC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262564546 535125741 /nfs/dbraw/zinc/12/57/41/535125741.db2.gz XMMOYEXFSXHVNL-YNEHKIRRSA-N 1 0 229.327 1.637 10 30 BDEERO C[N@H+](CCC(C)(C)C#N)CC1CC(O)C1 ZINC000084451957 536314249 /nfs/dbraw/zinc/31/42/49/536314249.db2.gz NEKKVFUNNGWVQT-UHFFFAOYSA-N 1 0 210.321 1.629 10 30 BDEERO OCC#Cc1csc(C[NH+]2CCCC2)c1 ZINC000043689779 582806087 /nfs/dbraw/zinc/80/60/87/582806087.db2.gz STTRQEBKAXTSKW-UHFFFAOYSA-N 1 0 221.325 1.688 10 30 BDEERO C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000105861418 588226935 /nfs/dbraw/zinc/22/69/35/588226935.db2.gz AKVINBFXXNPLBH-GFCCVEGCSA-N 1 0 244.338 1.649 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000123949415 589868576 /nfs/dbraw/zinc/86/85/76/589868576.db2.gz PQZFXKRJYDFEJF-QWHCGFSZSA-N 1 0 249.358 1.671 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1OCCO1 ZINC000308884240 632080680 /nfs/dbraw/zinc/08/06/80/632080680.db2.gz RSVZKSZWMKOMLD-UWVGGRQHSA-N 1 0 210.277 1.031 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH3+])C1 ZINC000041030242 636952778 /nfs/dbraw/zinc/95/27/78/636952778.db2.gz IEZCDPOOGLSPLQ-SNVBAGLBSA-N 1 0 246.270 1.394 10 30 BDEERO C[NH2+]C[C@@H]1CCCCN1c1cc(C#N)ccn1 ZINC000063169527 641142180 /nfs/dbraw/zinc/14/21/80/641142180.db2.gz LBUWYBIFIOMCEN-LBPRGKRZSA-N 1 0 230.315 1.532 10 30 BDEERO CCN(c1cc(C)nc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000308235481 642518258 /nfs/dbraw/zinc/51/82/58/642518258.db2.gz BUHMRKHPALUWKR-LBPRGKRZSA-N 1 0 230.315 1.450 10 30 BDEERO C=C(Br)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183664041 643155349 /nfs/dbraw/zinc/15/53/49/643155349.db2.gz WZFSIUINTGEZPS-MRVPVSSYSA-N 1 0 249.152 1.255 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1cccc(C#N)n1 ZINC000081597230 643242980 /nfs/dbraw/zinc/24/29/80/643242980.db2.gz HTFLBHYZPGGAFA-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO CCN(c1cccc(C#N)n1)[C@@H]1CC[NH2+]C1 ZINC000081597461 644334806 /nfs/dbraw/zinc/33/48/06/644334806.db2.gz KORIULYDYKBOTR-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC(C)(C)C ZINC000081741406 644342687 /nfs/dbraw/zinc/34/26/87/644342687.db2.gz ALGRPJXUQUOGEA-QWRGUYRKSA-N 1 0 241.379 1.501 10 30 BDEERO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000711158387 712286990 /nfs/dbraw/zinc/28/69/90/712286990.db2.gz VIQRQJWSFXHMBH-JTQLQIEISA-N 1 0 231.299 1.058 10 30 BDEERO Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000715126082 712511586 /nfs/dbraw/zinc/51/15/86/712511586.db2.gz TVLJNVKBJYRUHL-AOOOYVTPSA-N 1 0 216.288 1.411 10 30 BDEERO C=CCCC(C)(C)NC(=O)C1CC([NH3+])C1 ZINC000717690445 712664882 /nfs/dbraw/zinc/66/48/82/712664882.db2.gz OQBSYYFVRJLUSZ-UHFFFAOYSA-N 1 0 210.321 1.585 10 30 BDEERO C[NH2+]CCN(c1cccc(C#N)n1)C(C)C ZINC000720791553 712865820 /nfs/dbraw/zinc/86/58/20/712865820.db2.gz NVXRLMCVMYOGMV-UHFFFAOYSA-N 1 0 218.304 1.387 10 30 BDEERO CC1(C)CN(c2cccnc2C#N)C[C@@H]1[NH3+] ZINC000720746967 712863295 /nfs/dbraw/zinc/86/32/95/712863295.db2.gz IALOUIRAWVVHKN-NSHDSACASA-N 1 0 216.288 1.127 10 30 BDEERO Cc1nnc(NC[C@@H]2C[NH2+]C[C@H]2C)c(C#N)c1C ZINC000723794291 710731033 /nfs/dbraw/zinc/73/10/33/710731033.db2.gz YTNBRSKFRFLSMF-KCJUWKMLSA-N 1 0 245.330 1.233 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(C#N)nc1 ZINC000723820219 710732866 /nfs/dbraw/zinc/73/28/66/710732866.db2.gz BFRMMAAZIWAYOJ-ZJUUUORDSA-N 1 0 216.288 1.221 10 30 BDEERO N#Cc1ccc(N2CC[C@@H](CC[NH3+])C2)cn1 ZINC000723684527 711534205 /nfs/dbraw/zinc/53/42/05/711534205.db2.gz ZULBNDLUJJSETP-SNVBAGLBSA-N 1 0 216.288 1.128 10 30 BDEERO C[C@@H]1CN(c2ccnc(C#N)c2)C[C@H]1CC[NH3+] ZINC000723894251 711544376 /nfs/dbraw/zinc/54/43/76/711544376.db2.gz KKZXEEZYTYEQIK-GHMZBOCLSA-N 1 0 230.315 1.374 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000721873907 711793745 /nfs/dbraw/zinc/79/37/45/711793745.db2.gz PXUIQJWVCMUGCX-LDYMZIIASA-N 1 0 246.270 1.486 10 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C[NH2+]CCN(c1nc(C)cc(C#N)n1)C(C)C ZINC000720792695 712866211 /nfs/dbraw/zinc/86/62/11/712866211.db2.gz XDMZNOUUESQLMF-UHFFFAOYSA-N 1 0 233.319 1.091 10 30 BDEERO C[N+]12CCC(c3ccccc3)(CC1)C(=O)C2 ZINC000002020496 717093775 /nfs/dbraw/zinc/09/37/75/717093775.db2.gz UCKSYFRXTAWSPV-UHFFFAOYSA-N 1 0 216.304 1.748 10 30 in-man BDEERO C[C@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953734 538898638 /nfs/dbraw/zinc/89/86/38/538898638.db2.gz PFHCCMFGJTUDDU-ZJUUUORDSA-N 1 0 209.289 1.330 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@@H]1CCCCC[NH2+]1 ZINC000685954080 538898693 /nfs/dbraw/zinc/89/86/93/538898693.db2.gz RXLBYTDMOLJOFS-NSHDSACASA-N 1 0 223.316 1.864 10 30 BDEERO CCCC[C@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685954303 538899443 /nfs/dbraw/zinc/89/94/43/538899443.db2.gz UYPPGLRDARSWFY-JTQLQIEISA-N 1 0 211.305 1.849 10 30 BDEERO CC1(C#N)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226319118 398186617 /nfs/dbraw/zinc/18/66/17/398186617.db2.gz AEHWDZVAHBNXOL-GHMZBOCLSA-N 1 0 208.305 1.525 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000397670279 398190210 /nfs/dbraw/zinc/19/02/10/398190210.db2.gz NIPHKRNKJMIUND-QWRGUYRKSA-N 1 0 208.305 1.573 10 30 BDEERO Cc1cc(NC(N)=[NH2+])nc2ccccc12 ZINC000034027567 178123850 /nfs/dbraw/zinc/12/38/50/178123850.db2.gz PBIUQBDINOYEEJ-UHFFFAOYSA-N 1 0 200.245 1.448 10 30 BDEERO N#Cc1cc(F)cc(CN2CC[NH2+]CC2)c1 ZINC000162796502 538924864 /nfs/dbraw/zinc/92/48/64/538924864.db2.gz BVAMUUASURNXGT-UHFFFAOYSA-N 1 0 219.263 1.103 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000124034010 178363459 /nfs/dbraw/zinc/36/34/59/178363459.db2.gz BVRSIAMEFVYZPU-GXFFZTMASA-N 1 0 244.342 1.648 10 30 BDEERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])cc(C#N)n1 ZINC000320982989 342748751 /nfs/dbraw/zinc/74/87/51/342748751.db2.gz XSJSRMUUCDQGBR-RKDXNWHRSA-N 1 0 218.304 1.799 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000320465742 342734006 /nfs/dbraw/zinc/73/40/06/342734006.db2.gz FFOZLDFBGDWOTI-WCBMZHEXSA-N 1 0 218.304 1.799 10 30 BDEERO Cc1cc(N(C)CC(C)(C)C[NH3+])c(C#N)cn1 ZINC000399079220 398282975 /nfs/dbraw/zinc/28/29/75/398282975.db2.gz RELRMROUEFFMES-UHFFFAOYSA-N 1 0 232.331 1.683 10 30 BDEERO CCNC(=[NH+]N)c1ccc(Br)cc1 ZINC000042035692 361927565 /nfs/dbraw/zinc/92/75/65/361927565.db2.gz GQVFWONGLBVSBY-UHFFFAOYSA-N 1 0 242.120 1.679 10 30 BDEERO CC[C@@H]([NH3+])CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000111304696 398302954 /nfs/dbraw/zinc/30/29/54/398302954.db2.gz RCPKSDXVMNKMCK-SECBINFHSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@@H]1CN(c2cccnc2C#N)C[C@@]1(C)C[NH3+] ZINC000310402181 259327478 /nfs/dbraw/zinc/32/74/78/259327478.db2.gz UTJYUCREPCHBDK-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO C[C@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000339086765 136271296 /nfs/dbraw/zinc/27/12/96/136271296.db2.gz WVDLQJJPXYKUJT-WDEREUQCSA-N 1 0 212.293 1.074 10 30 BDEERO C#CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088022969 136283990 /nfs/dbraw/zinc/28/39/90/136283990.db2.gz YZEKQSIHUYQXEP-OLZOCXBDSA-N 1 0 207.317 1.637 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000054826044 136372927 /nfs/dbraw/zinc/37/29/27/136372927.db2.gz CFHHOBDNPXCBAS-SRVKXCTJSA-N 1 0 208.305 1.837 10 30 BDEERO C[C@@H]1C[NH+]=C(NCCc2c[nH]c3ncccc23)N1 ZINC000262673597 136374781 /nfs/dbraw/zinc/37/47/81/136374781.db2.gz SEXJUQHLBYGPKB-SECBINFHSA-N 1 0 243.314 1.043 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C#N)ncn1 ZINC000310696083 343561798 /nfs/dbraw/zinc/56/17/98/343561798.db2.gz PMYMRGRBBMIUTM-ZYHUDNBSSA-N 1 0 243.314 1.021 10 30 BDEERO C[C@@H]1CN(c2cc(C#N)ccn2)C[C@@]1(C)C[NH3+] ZINC000379750435 343616500 /nfs/dbraw/zinc/61/65/00/343616500.db2.gz KNOPZHSQPFSDOQ-ZWNOBZJWSA-N 1 0 230.315 1.374 10 30 BDEERO C#CC[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000034937758 166192113 /nfs/dbraw/zinc/19/21/13/166192113.db2.gz VSWHWTAYMFGCIR-LLVKDONJSA-N 1 0 208.305 1.000 10 30 BDEERO C=C(Cl)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000306309551 343773667 /nfs/dbraw/zinc/77/36/67/343773667.db2.gz PFBLRFCYEUYOJH-GUBZILKMSA-N 1 0 200.713 1.408 10 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C#CCn1c[nH+]c([C@@H]2CCSC2)c1N ZINC000224662481 344966271 /nfs/dbraw/zinc/96/62/71/344966271.db2.gz WYZORIHCCQZUOG-MRVPVSSYSA-N 1 0 207.302 1.319 10 30 BDEERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000356345860 345037078 /nfs/dbraw/zinc/03/70/78/345037078.db2.gz DFZGXCDIWBRSEO-IJLUTSLNSA-N 1 0 208.305 1.693 10 30 BDEERO N#Cc1cc(C[NH3+])c(OC(F)(F)F)cn1 ZINC000238634668 345098468 /nfs/dbraw/zinc/09/84/68/345098468.db2.gz CNHLQMILDGFIEW-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO CC#CCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158719332 345369951 /nfs/dbraw/zinc/36/99/51/345369951.db2.gz CHZZGGRCIKWFAJ-CYBMUJFWSA-N 1 0 219.284 1.985 10 30 BDEERO C[C@@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000082575707 345439381 /nfs/dbraw/zinc/43/93/81/345439381.db2.gz NVJQIWDBKOCATF-SSDOTTSWSA-N 1 0 209.680 1.971 10 30 BDEERO C[C@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000082575499 345440734 /nfs/dbraw/zinc/44/07/34/345440734.db2.gz YURHMQCMQHITPH-ZETCQYMHSA-N 1 0 209.680 1.971 10 30 BDEERO CC(C)(C#N)N1CC[NH+](CC2CC2)CC1 ZINC000112765466 534998861 /nfs/dbraw/zinc/99/88/61/534998861.db2.gz SUQLXGWKJVKZAU-UHFFFAOYSA-N 1 0 207.321 1.316 10 30 BDEERO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000310832889 259385337 /nfs/dbraw/zinc/38/53/37/259385337.db2.gz JGIRZFCXETYLGE-TXEJJXNPSA-N 1 0 242.326 1.389 10 30 BDEERO C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C#N ZINC000300358116 345795409 /nfs/dbraw/zinc/79/54/09/345795409.db2.gz BPYUCMXNIXNWKJ-QJPTWQEYSA-N 1 0 207.321 1.362 10 30 BDEERO C#CC[N@@H+](C)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000136946640 345833534 /nfs/dbraw/zinc/83/35/34/345833534.db2.gz KKGDRWALXCQDGB-UHFFFAOYSA-N 1 0 223.340 1.919 10 30 BDEERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000311155117 537918752 /nfs/dbraw/zinc/91/87/52/537918752.db2.gz WZVDKDCVSQWQPS-KBPBESRZSA-N 1 0 246.310 1.140 10 30 BDEERO Cc1cccc(C)c1NC(=S)NCC[NH3+] ZINC000029206280 179039721 /nfs/dbraw/zinc/03/97/21/179039721.db2.gz IOJHRDLWWXIHGZ-UHFFFAOYSA-N 1 0 223.345 1.960 10 30 BDEERO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854932 346462465 /nfs/dbraw/zinc/46/24/65/346462465.db2.gz CXKULUWQXOOPMI-NWDGAFQWSA-N 1 0 240.347 1.130 10 30 BDEERO Cc1cc(NC[C@@H]2CCCC[NH2+]2)cc(C#N)n1 ZINC000308241394 346765099 /nfs/dbraw/zinc/76/50/99/346765099.db2.gz PCVGQLNPGXKFOY-NSHDSACASA-N 1 0 230.315 1.816 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)nc2)CC[C@H]1[NH3+] ZINC000252697111 346778320 /nfs/dbraw/zinc/77/83/20/346778320.db2.gz FLYNAVLBWRTBDV-ZWNOBZJWSA-N 1 0 230.315 1.517 10 30 BDEERO N#CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569065 347521290 /nfs/dbraw/zinc/52/12/90/347521290.db2.gz GAYSOLRUODCMLJ-CHWSQXEVSA-N 1 0 243.310 1.162 10 30 BDEERO C=C(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616569123 347575953 /nfs/dbraw/zinc/57/59/53/347575953.db2.gz GKYYARYOHAFRRM-ZIAGYGMSSA-N 1 0 244.338 1.906 10 30 BDEERO Cc1nc(N2CCC(C)([NH3+])CC2)ccc1C#N ZINC000591434712 347659833 /nfs/dbraw/zinc/65/98/33/347659833.db2.gz KVSFCLFJSGYXQU-UHFFFAOYSA-N 1 0 230.315 1.579 10 30 BDEERO Cc1cc(C#N)cc(NCCC2CC[NH2+]CC2)n1 ZINC000593233193 347873341 /nfs/dbraw/zinc/87/33/41/347873341.db2.gz LRUVSMWTZMGHPG-UHFFFAOYSA-N 1 0 244.342 1.485 10 30 BDEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594426490 348051879 /nfs/dbraw/zinc/05/18/79/348051879.db2.gz RUPPCVREHQDOQF-GXSJLCMTSA-N 1 0 223.320 1.312 10 30 BDEERO Cc1ccc(C#N)c(NCC2([NH3+])CCCC2)n1 ZINC000594691957 348099910 /nfs/dbraw/zinc/09/99/10/348099910.db2.gz CRWAXHAURHKUKS-UHFFFAOYSA-N 1 0 230.315 1.945 10 30 BDEERO Cc1nnc(N(C)CC(C)(C)[NH3+])c(C#N)c1C ZINC000594693187 348100339 /nfs/dbraw/zinc/10/03/39/348100339.db2.gz KQRKZWMLFJMXLQ-UHFFFAOYSA-N 1 0 233.319 1.139 10 30 BDEERO COc1cc(C[NH2+]C2CC(CO)C2)ccc1C#N ZINC000595001109 348169564 /nfs/dbraw/zinc/16/95/64/348169564.db2.gz QVKGUQKFYZQYOL-UHFFFAOYSA-N 1 0 246.310 1.427 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000082627552 348189223 /nfs/dbraw/zinc/18/92/23/348189223.db2.gz ICFJPNXNGWHMAG-IUCAKERBSA-N 1 0 236.237 1.847 10 30 BDEERO C=CCCSCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000595257320 348204599 /nfs/dbraw/zinc/20/45/99/348204599.db2.gz UFFMHGXYYCYNCM-GHMZBOCLSA-N 1 0 242.388 1.539 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1cncc(C#N)n1 ZINC000596025926 348425124 /nfs/dbraw/zinc/42/51/24/348425124.db2.gz AHSNPRIRCTWINZ-SNVBAGLBSA-N 1 0 219.292 1.134 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)cn1 ZINC000596027715 348425529 /nfs/dbraw/zinc/42/55/29/348425529.db2.gz UWSPQVPFXXKZQO-LLVKDONJSA-N 1 0 218.304 1.160 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)cc1F ZINC000596031732 348427319 /nfs/dbraw/zinc/42/73/19/348427319.db2.gz FDAZARAXOZCRHB-MRVPVSSYSA-N 1 0 207.252 1.717 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596033278 348427908 /nfs/dbraw/zinc/42/79/08/348427908.db2.gz SOSUFFUKAQETSP-MRVPVSSYSA-N 1 0 234.259 1.486 10 30 BDEERO C=CCCSCCN[C@@H]1CC[NH2+]C1 ZINC000596651392 348605818 /nfs/dbraw/zinc/60/58/18/348605818.db2.gz PEKBUFXAXZUBJO-SNVBAGLBSA-N 1 0 200.351 1.247 10 30 BDEERO 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CC[N@@H+]1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616660527 351205268 /nfs/dbraw/zinc/20/52/68/351205268.db2.gz JNINEBHHYTYINE-AWEZNQCLSA-N 1 0 230.311 1.994 10 30 BDEERO CC[N@@H+]1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616661202 351214074 /nfs/dbraw/zinc/21/40/74/351214074.db2.gz LRBDIJXTQFNURR-ZDUSSCGKSA-N 1 0 230.311 1.994 10 30 BDEERO N#Cc1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616661078 351214283 /nfs/dbraw/zinc/21/42/83/351214283.db2.gz YJJILQSAOSCXCQ-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO C[C@H]1C[N@H+](CC(C)(C)CS)C[C@@H]1O ZINC000306887209 351294476 /nfs/dbraw/zinc/29/44/76/351294476.db2.gz UFYBUVPJICROKL-IUCAKERBSA-N 1 0 203.351 1.255 10 30 BDEERO CCC1(C(=O)C2=COCC2)CC[NH2+]CC1 ZINC000306976829 351396217 /nfs/dbraw/zinc/39/62/17/351396217.db2.gz DQDXTFXHUCWOCW-UHFFFAOYSA-N 1 0 209.289 1.640 10 30 BDEERO Cc1cscc1NC(NC(C)C)=[NH+]N ZINC000307002897 351413483 /nfs/dbraw/zinc/41/34/83/351413483.db2.gz CQKHTHUACRTYNI-UHFFFAOYSA-N 1 0 212.322 1.696 10 30 BDEERO N#C[C@H]1OCCC[C@@H]1NCc1ccccc1 ZINC000307139187 351495216 /nfs/dbraw/zinc/49/52/16/351495216.db2.gz ANVZJBBXWGHHJL-QWHCGFSZSA-N 1 0 216.284 1.847 10 30 BDEERO N#C[C@H]1OCCC[C@H]1NCc1ccccc1 ZINC000307139176 351495353 /nfs/dbraw/zinc/49/53/53/351495353.db2.gz ANVZJBBXWGHHJL-CHWSQXEVSA-N 1 0 216.284 1.847 10 30 BDEERO C#CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000307086235 351470888 /nfs/dbraw/zinc/47/08/88/351470888.db2.gz YLYCJMBVMFNOPP-ZFWWWQNUSA-N 1 0 228.339 1.872 10 30 BDEERO Cc1cc(C#N)nc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000231944118 351479499 /nfs/dbraw/zinc/47/94/99/351479499.db2.gz IEQGIRBJHJFAKD-GFCCVEGCSA-N 1 0 247.346 1.466 10 30 BDEERO N#CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000088022535 351513069 /nfs/dbraw/zinc/51/30/69/351513069.db2.gz NRPLPJNXJUTIPY-QWHCGFSZSA-N 1 0 222.332 1.917 10 30 BDEERO CNC(N[C@@H]1CCC[C@@H]1SC)=[NH+]C ZINC000307210700 351609239 /nfs/dbraw/zinc/60/92/39/351609239.db2.gz MTSUFNKCZZCWDF-SFYZADRCSA-N 1 0 201.339 1.065 10 30 BDEERO C=C(Br)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000307241244 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352664618 /nfs/dbraw/zinc/66/46/18/352664618.db2.gz JSRXNHDGGXZJPD-DTWKUNHWSA-N 1 0 233.153 1.707 10 30 BDEERO C=C(Br)CN1CCC[NH2+]CC1 ZINC000037680779 187805812 /nfs/dbraw/zinc/80/58/12/187805812.db2.gz BEXDSWLKSYGIJH-UHFFFAOYSA-N 1 0 219.126 1.190 10 30 BDEERO C=CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000054400993 187829776 /nfs/dbraw/zinc/82/97/76/187829776.db2.gz UXWLLGHHDYKYCC-WDEREUQCSA-N 1 0 208.305 1.306 10 30 BDEERO C=C(C(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306500501 353020240 /nfs/dbraw/zinc/02/02/40/353020240.db2.gz NNNYAEBAGQDUOS-SSDOTTSWSA-N 1 0 207.195 1.674 10 30 BDEERO N#CCC1(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000398802340 353138810 /nfs/dbraw/zinc/13/88/10/353138810.db2.gz RQIKPZAUHMRFCI-RWMBFGLXSA-N 1 0 234.343 1.773 10 30 BDEERO C#CCOc1c(C[NH2+]CC)cccc1OC ZINC000037709583 358476245 /nfs/dbraw/zinc/47/62/45/358476245.db2.gz LRNDVXHXNWNUKK-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000126941490 353254071 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369577472 /nfs/dbraw/zinc/57/74/72/369577472.db2.gz CHKNNRLBUZQUTL-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO CN(CCOCC[NH3+])c1ccc(F)cc1C#N ZINC000600956212 369576425 /nfs/dbraw/zinc/57/64/25/369576425.db2.gz PXODNRKSQYJADA-UHFFFAOYSA-N 1 0 237.278 1.109 10 30 BDEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C#N)n1 ZINC000600952572 369576469 /nfs/dbraw/zinc/57/64/69/369576469.db2.gz ZXWVKLZXFHWUSG-WDEREUQCSA-N 1 0 216.288 1.506 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600862451 369569649 /nfs/dbraw/zinc/56/96/49/369569649.db2.gz BEWQNVDLONMWAE-SKDRFNHKSA-N 1 0 230.315 1.814 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C#N)nc1)C2 ZINC000600956001 369574823 /nfs/dbraw/zinc/57/48/23/369574823.db2.gz MXUTXJGJBJBWIB-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO C[NH2+]CCOCCNc1ccc(F)cc1C#N ZINC000600951113 369578266 /nfs/dbraw/zinc/57/82/66/369578266.db2.gz HGLUPGSPRPHJLK-UHFFFAOYSA-N 1 0 237.278 1.345 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600962778 369579345 /nfs/dbraw/zinc/57/93/45/369579345.db2.gz MCZATNDRWKGVDE-PSASIEDQSA-N 1 0 246.270 1.392 10 30 BDEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1 ZINC000600963715 369581269 /nfs/dbraw/zinc/58/12/69/369581269.db2.gz ZGKHDXMQXXMKFC-ONGXEEELSA-N 1 0 201.273 1.484 10 30 BDEERO N#Cc1cccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600963553 369582364 /nfs/dbraw/zinc/58/23/64/369582364.db2.gz XUQDDVZAZDQGEM-UMSPYCQHSA-N 1 0 230.315 1.883 10 30 BDEERO C[C@@H]1CCCN(c2cc(C#N)ccn2)[C@H]1C[NH3+] ZINC000252172826 370000291 /nfs/dbraw/zinc/00/02/91/370000291.db2.gz OHVVAAMRPKTKMO-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]([NH3+])CCNc1cccc(F)c1C#N ZINC000063171776 370138381 /nfs/dbraw/zinc/13/83/81/370138381.db2.gz MYCCUJWSDBEGOC-QMMMGPOBSA-N 1 0 207.252 1.847 10 30 BDEERO CC(C)(CO)[NH2+]Cc1cccc(F)c1C#N ZINC000309541111 370224554 /nfs/dbraw/zinc/22/45/54/370224554.db2.gz DVECZEWMHVFBPM-UHFFFAOYSA-N 1 0 222.263 1.558 10 30 BDEERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309910249 370275189 /nfs/dbraw/zinc/27/51/89/370275189.db2.gz MGNJJSSWYZSNQR-ZDEQEGDKSA-N 1 0 221.348 1.608 10 30 BDEERO CC1(CNc2cc(C#N)ncn2)CC[NH2+]CC1 ZINC000310317607 370334410 /nfs/dbraw/zinc/33/44/10/370334410.db2.gz VQEKTRYSSUYLKQ-UHFFFAOYSA-N 1 0 231.303 1.150 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1cnccn1 ZINC000389915289 371182387 /nfs/dbraw/zinc/18/23/87/371182387.db2.gz CRXPMOLCNBVMHW-ZYHUDNBSSA-N 1 0 216.288 1.301 10 30 BDEERO Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000390570140 371217267 /nfs/dbraw/zinc/21/72/67/371217267.db2.gz NAPRPHJUAZCTBL-NWDGAFQWSA-N 1 0 218.304 1.473 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131168875 371308948 /nfs/dbraw/zinc/30/89/48/371308948.db2.gz DEACEBKBKFAZGB-MNOVXSKESA-N 1 0 208.305 1.573 10 30 BDEERO N#Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092460 371543803 /nfs/dbraw/zinc/54/38/03/371543803.db2.gz ZTQZTNUEHYDMGM-GHMZBOCLSA-N 1 0 229.283 1.624 10 30 BDEERO C#C[C@H](CC)Nc1ncnc(N)c1Cl ZINC000230024413 371636211 /nfs/dbraw/zinc/63/62/11/371636211.db2.gz QIJODMRKJMHCAH-ZCFIWIBFSA-N 1 0 210.668 1.536 10 30 BDEERO CC(C)=CC(=O)[C@@H]1C[N@@H+](C)CCCN1C ZINC000132259396 371776827 /nfs/dbraw/zinc/77/68/27/371776827.db2.gz JOJCNPNREWCANP-NSHDSACASA-N 1 0 210.321 1.158 10 30 BDEERO C[NH2+]CC#Cc1occc1Br ZINC000229453842 372152877 /nfs/dbraw/zinc/15/28/77/372152877.db2.gz YUNQZISOINCYAN-UHFFFAOYSA-N 1 0 214.062 1.613 10 30 BDEERO O=C(C[n+]1ccccc1)NCc1cccs1 ZINC000002557647 182032766 /nfs/dbraw/zinc/03/27/66/182032766.db2.gz XOLKFDNQJAMSDJ-UHFFFAOYSA-O 1 0 233.316 1.352 10 30 BDEERO OCC#Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000049617024 183032068 /nfs/dbraw/zinc/03/20/68/183032068.db2.gz LTWMXBBGZHFYNJ-UHFFFAOYSA-N 1 0 247.363 1.579 10 30 BDEERO Oc1ccc2c(c1)CC[NH2+][C@H]2CCS ZINC000083660591 183279888 /nfs/dbraw/zinc/27/98/88/183279888.db2.gz JWHKYKPXUJMHBW-NSHDSACASA-N 1 0 209.314 1.899 10 30 BDEERO CCC[N@H+](CCO)Cc1ccc(C#CCO)cc1 ZINC000049614065 169166720 /nfs/dbraw/zinc/16/67/20/169166720.db2.gz OVBMDPOSCVBHDE-UHFFFAOYSA-N 1 0 247.338 1.235 10 30 BDEERO CCCNC(=[NH+]N)c1cccc2cccnc21 ZINC000061419004 169183285 /nfs/dbraw/zinc/18/32/85/169183285.db2.gz PGCPFANOBMQDJZ-UHFFFAOYSA-N 1 0 228.299 1.855 10 30 BDEERO CCCOc1ccc(CC[NH3+])c(OCC#N)c1 ZINC000037719818 169318272 /nfs/dbraw/zinc/31/82/72/169318272.db2.gz ASWPEIWCBZDKQM-UHFFFAOYSA-N 1 0 234.299 1.879 10 30 BDEERO C=C(C)CN(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000181414726 134339026 /nfs/dbraw/zinc/33/90/26/134339026.db2.gz JRVFHFLBOPVLGW-LBPRGKRZSA-N 1 0 239.363 1.688 10 30 BDEERO CC(C)(C)OC(=O)[C@@H]1CCC[C@]1([NH3+])C=O ZINC000091368744 384122830 /nfs/dbraw/zinc/12/28/30/384122830.db2.gz HXISAKDBCXECSZ-KWQFWETISA-N 1 0 213.277 1.025 10 30 BDEERO N#Cc1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000094439902 384301755 /nfs/dbraw/zinc/30/17/55/384301755.db2.gz BJBMUNXHHGFRAK-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO Cc1cc(NCCC(=O)N(C)C)c(C#N)c(C)n1 ZINC000157422434 384449153 /nfs/dbraw/zinc/44/91/53/384449153.db2.gz LRBWBFXMMUTNSB-UHFFFAOYSA-N 1 0 246.314 1.460 10 30 BDEERO C#CCCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000086931149 384721381 /nfs/dbraw/zinc/72/13/81/384721381.db2.gz LYDOVKMFFLSCDT-QWHCGFSZSA-N 1 0 206.333 1.568 10 30 BDEERO CC#CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000155712079 384758263 /nfs/dbraw/zinc/75/82/63/384758263.db2.gz MIEVZEWECYBRAO-ZDUSSCGKSA-N 1 0 232.331 1.404 10 30 BDEERO Cc1cc(C#N)nc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000320682418 384791780 /nfs/dbraw/zinc/79/17/80/384791780.db2.gz LLRPGFANXCYBBS-HTQZYQBOSA-N 1 0 219.292 1.194 10 30 BDEERO C[C@H]1CCCN(c2cccc(C#N)n2)[C@@H]1C[NH3+] ZINC000083927770 384927498 /nfs/dbraw/zinc/92/74/98/384927498.db2.gz PULFNZYHCMDLNU-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO C=CCOCC[N@H+]1CCC[C@@H]1CCCO ZINC000338952477 384962348 /nfs/dbraw/zinc/96/23/48/384962348.db2.gz CKYMFJIUHIJRQQ-GFCCVEGCSA-N 1 0 213.321 1.426 10 30 BDEERO C#CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152338383 385105523 /nfs/dbraw/zinc/10/55/23/385105523.db2.gz VMTPMOVKTWYTRM-LBPRGKRZSA-N 1 0 202.257 1.168 10 30 BDEERO C[C@@H](CC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000310748966 385159148 /nfs/dbraw/zinc/15/91/48/385159148.db2.gz JNHJKVYHLYMLHK-VIFPVBQESA-N 1 0 241.298 1.651 10 30 BDEERO C=C(Cl)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000306707302 385169476 /nfs/dbraw/zinc/16/94/76/385169476.db2.gz JULPEZJBLHCEGR-SNVBAGLBSA-N 1 0 203.713 1.833 10 30 BDEERO Cc1cc(N(C)[C@@H](C)C[NH3+])cc(C#N)n1 ZINC000308246015 385414243 /nfs/dbraw/zinc/41/42/43/385414243.db2.gz UUHNKBKOQKJGJJ-VIFPVBQESA-N 1 0 204.277 1.045 10 30 BDEERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C#N ZINC000111304660 385421349 /nfs/dbraw/zinc/42/13/49/385421349.db2.gz DCHDADMQOOGLQW-MRVPVSSYSA-N 1 0 235.247 1.011 10 30 BDEERO C#CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000309533957 385671910 /nfs/dbraw/zinc/67/19/10/385671910.db2.gz DSFCGIQUTXAKDM-QWHCGFSZSA-N 1 0 217.316 1.980 10 30 BDEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)nc1 ZINC000336696765 385745809 /nfs/dbraw/zinc/74/58/09/385745809.db2.gz OHSJHGCVRPSCBR-SECBINFHSA-N 1 0 204.277 1.493 10 30 BDEERO C=C(C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919372 385969008 /nfs/dbraw/zinc/96/90/08/385969008.db2.gz ZDIQYWNWEQPOTA-GFCCVEGCSA-N 1 0 220.320 1.566 10 30 BDEERO C[NH2+][C@H]1CCCN(c2ccncc2C#N)C1 ZINC000398987569 386323158 /nfs/dbraw/zinc/32/31/58/386323158.db2.gz ITNJIALQMGBEFG-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO C[NH2+][C@@H](C)CNC(=O)Nc1ccc(CC#N)cc1 ZINC000414761450 386418092 /nfs/dbraw/zinc/41/80/92/386418092.db2.gz TWMNINYUIYLQQW-JTQLQIEISA-N 1 0 246.314 1.482 10 30 BDEERO CCC([NH3+])(CC)CNc1cc(C)ncc1C#N ZINC000399017202 386550892 /nfs/dbraw/zinc/55/08/92/386550892.db2.gz CSBMDOKGYYHBKQ-UHFFFAOYSA-N 1 0 232.331 1.613 10 30 BDEERO C#CC[NH2+]Cc1cc2cc(OC)ccc2n1C ZINC000029414054 387052307 /nfs/dbraw/zinc/05/23/07/387052307.db2.gz PHOSPXFMBUITGW-UHFFFAOYSA-N 1 0 228.295 1.910 10 30 BDEERO C[C@@H]1[NH+]=C(NCC2CSC2)S[C@H]1C ZINC000575469315 387088584 /nfs/dbraw/zinc/08/85/84/387088584.db2.gz GRUYUMIMQIWDFA-BQBZGAKWSA-N 1 0 216.375 1.819 10 30 BDEERO N#Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094439913 387095462 /nfs/dbraw/zinc/09/54/62/387095462.db2.gz SMDXIOUUMUEYPP-CQSZACIVSA-N 1 0 242.326 1.628 10 30 BDEERO C=CC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000033465471 387104309 /nfs/dbraw/zinc/10/43/09/387104309.db2.gz OTQPZWFYRWYSKF-ZDUSSCGKSA-N 1 0 235.327 1.819 10 30 BDEERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CO1 ZINC000396801983 387495471 /nfs/dbraw/zinc/49/54/71/387495471.db2.gz LIRFFLMHLYRESI-VWYCJHECSA-N 1 0 208.305 1.836 10 30 BDEERO C[C@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000085920968 387506492 /nfs/dbraw/zinc/50/64/92/387506492.db2.gz MFCOAQIZORIDHG-MRVPVSSYSA-N 1 0 227.271 1.261 10 30 BDEERO N#CC1CCN(C(=[NH2+])NCc2ccccc2)CC1 ZINC000575533962 387556488 /nfs/dbraw/zinc/55/64/88/387556488.db2.gz LMVGTGCXTRKDNI-UHFFFAOYSA-N 1 0 242.326 1.947 10 30 BDEERO C=CC[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518172 387922740 /nfs/dbraw/zinc/92/27/40/387922740.db2.gz GUEMKIABHADZBS-NSHDSACASA-N 1 0 221.304 1.819 10 30 BDEERO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000245993776 388001340 /nfs/dbraw/zinc/00/13/40/388001340.db2.gz GYQPWHFCSXFQBL-QWRGUYRKSA-N 1 0 215.362 1.751 10 30 BDEERO CSCCC[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000164516219 388239743 /nfs/dbraw/zinc/23/97/43/388239743.db2.gz VNIMVURYZRTVHI-VIFPVBQESA-N 1 0 231.365 1.340 10 30 BDEERO C#CCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000270605806 388648057 /nfs/dbraw/zinc/64/80/57/388648057.db2.gz MLPFXGGGHVHLJW-LBPRGKRZSA-N 1 0 203.289 1.580 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C#N)cn1 ZINC000252675117 388658519 /nfs/dbraw/zinc/65/85/19/388658519.db2.gz WYQQDDHUZBJVIC-YPMHNXCESA-N 1 0 242.326 1.626 10 30 BDEERO C[NH2+]C1CCN(c2cc(C#N)ccn2)CC1 ZINC000095071530 388757423 /nfs/dbraw/zinc/75/74/23/388757423.db2.gz VPSSASDKTAGZST-UHFFFAOYSA-N 1 0 216.288 1.141 10 30 BDEERO N#Cc1ccnc([S@](=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000095073469 388758516 /nfs/dbraw/zinc/75/85/16/388758516.db2.gz JSNSJYDNJBCRIS-GTNSWQLSSA-N 1 0 249.339 1.203 10 30 BDEERO C[C@H]1CN(c2cccc(C#N)c2)CC[NH2+]1 ZINC000054348230 132364081 /nfs/dbraw/zinc/36/40/81/132364081.db2.gz BFRBTXRKEIQILE-JTQLQIEISA-N 1 0 201.273 1.356 10 30 BDEERO C[C@@H]1CCCN(c2cc(C#N)ccn2)[C@@H]1C[NH3+] ZINC000070178667 132230250 /nfs/dbraw/zinc/23/02/50/132230250.db2.gz OHVVAAMRPKTKMO-ZYHUDNBSSA-N 1 0 230.315 1.517 10 30 BDEERO C[C@H]1CCCN(c2cc(C#N)ccn2)[C@@H]1C[NH3+] ZINC000070178668 132230521 /nfs/dbraw/zinc/23/05/21/132230521.db2.gz OHVVAAMRPKTKMO-CMPLNLGQSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1ccc(C#N)c(N2CC[NH2+]CC2)c1 ZINC000051578140 132361175 /nfs/dbraw/zinc/36/11/75/132361175.db2.gz MRHMHYUGSKNAPG-UHFFFAOYSA-N 1 0 201.273 1.276 10 30 BDEERO C[C@@H]([NH3+])[C@H]1CCCCN1c1nccnc1C#N ZINC000063196705 132389733 /nfs/dbraw/zinc/38/97/33/132389733.db2.gz RHHGHQIJXTZMQR-MWLCHTKSSA-N 1 0 231.303 1.054 10 30 BDEERO N#Cc1cc(F)c(NC2C[NH2+]C2)c(F)c1 ZINC000088125082 133550149 /nfs/dbraw/zinc/55/01/49/133550149.db2.gz QZYOMTBFCWWDES-UHFFFAOYSA-N 1 0 209.199 1.220 10 30 BDEERO N#CCC[C@@H](C#N)CN1CCC[N@@H+](C2CC2)CC1 ZINC000171988683 134263854 /nfs/dbraw/zinc/26/38/54/134263854.db2.gz YPPICZANBXAXFC-ZDUSSCGKSA-N 1 0 246.358 1.600 10 30 BDEERO CC1(C#N)CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000227351737 134378543 /nfs/dbraw/zinc/37/85/43/134378543.db2.gz PKKCAVVDIREPHE-NSHDSACASA-N 1 0 235.331 1.281 10 30 BDEERO CC(C)[C@@H]([NH3+])CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000131303263 134628949 /nfs/dbraw/zinc/62/89/49/134628949.db2.gz FJRIRKOEHYVFKK-JTQLQIEISA-N 1 0 248.286 1.862 10 30 BDEERO CC(C)[C@@H]([NH3+])CCN(C)c1cc(C#N)ccn1 ZINC000133627509 134686694 /nfs/dbraw/zinc/68/66/94/134686694.db2.gz SAZQQYMRDHXKGS-LBPRGKRZSA-N 1 0 232.331 1.763 10 30 BDEERO CC#CCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248389825 135001964 /nfs/dbraw/zinc/00/19/64/135001964.db2.gz HCAWPGCVFVDDFX-ZDUSSCGKSA-N 1 0 206.333 1.570 10 30 BDEERO Cc1c(CN[C@@H]2CCC[C@H]2C#N)cnn1C ZINC000086552080 135089394 /nfs/dbraw/zinc/08/93/94/135089394.db2.gz SXKACGWAOVCKCW-CMPLNLGQSA-N 1 0 218.304 1.510 10 30 BDEERO NC(=NO)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000252465377 135090426 /nfs/dbraw/zinc/09/04/26/135090426.db2.gz AZCDSJPLOSNPEJ-MNOVXSKESA-N 1 0 241.335 1.156 10 30 BDEERO NC(=NO)[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000252465376 135090777 /nfs/dbraw/zinc/09/07/77/135090777.db2.gz AZCDSJPLOSNPEJ-GHMZBOCLSA-N 1 0 241.335 1.156 10 30 BDEERO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]C2CC2)O1 ZINC000252739517 135105863 /nfs/dbraw/zinc/10/58/63/135105863.db2.gz HJOAEUIMRWWYJH-NDBYEHHHSA-N 1 0 220.316 1.978 10 30 BDEERO CC#CCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252839318 135112012 /nfs/dbraw/zinc/11/20/12/135112012.db2.gz ZVSXWNXWOFGEHB-ZIAGYGMSSA-N 1 0 220.360 1.958 10 30 BDEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000078784767 135150698 /nfs/dbraw/zinc/15/06/98/135150698.db2.gz SNOOCZRAJOZDKY-UWVGGRQHSA-N 1 0 241.335 1.021 10 30 BDEERO CCCC[C@H](C[NH3+])Nc1cccc(C#N)n1 ZINC000087780171 135169096 /nfs/dbraw/zinc/16/90/96/135169096.db2.gz FJHRHACNXDYIIO-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO C[C@@H]1CCN(c2cc(C#N)ccn2)[C@H](C[NH3+])C1 ZINC000261541581 135182302 /nfs/dbraw/zinc/18/23/02/135182302.db2.gz KOGSAWHQALSWKM-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000261572943 135215303 /nfs/dbraw/zinc/21/53/03/135215303.db2.gz MCJKPBRMXRBTDW-MFKMUULPSA-N 1 0 244.342 1.825 10 30 BDEERO C[C@@H]1[C@@H]([NH3+])CCN1c1nccc(C#N)c1Cl ZINC000261582794 135223334 /nfs/dbraw/zinc/22/33/34/135223334.db2.gz OSAKDGAWZAQUBX-APPZFPTMSA-N 1 0 236.706 1.533 10 30 BDEERO CC#CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000121536442 135224729 /nfs/dbraw/zinc/22/47/29/135224729.db2.gz LPAOMXXDAWXAAA-CQSZACIVSA-N 1 0 244.338 1.299 10 30 BDEERO Cc1cc(CNC(=[NH2+])N(C)C2CC2)nc(C)n1 ZINC000261913110 135262677 /nfs/dbraw/zinc/26/26/77/135262677.db2.gz YPSLJKMDJOIVGH-UHFFFAOYSA-N 1 0 233.319 1.002 10 30 BDEERO C[NH+]=C(NC[C@@H]1CCCS1)N[C@@H]1C[C@H]1C ZINC000261940482 135265246 /nfs/dbraw/zinc/26/52/46/135265246.db2.gz DMVZYKYRFPCCLX-KXUCPTDWSA-N 1 0 227.377 1.455 10 30 BDEERO COc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000261991573 135269498 /nfs/dbraw/zinc/26/94/98/135269498.db2.gz MGBXCOMUMVZKEP-KWQFWETISA-N 1 0 219.288 1.830 10 30 BDEERO C[C@H]1CC(C[NH+]=C(N(C)C)N(C)C)C[C@H](C)O1 ZINC000262065402 135276564 /nfs/dbraw/zinc/27/65/64/135276564.db2.gz CEVQRNAQOIBAQD-QWRGUYRKSA-N 1 0 241.379 1.669 10 30 BDEERO C=C(C)CNC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000262083667 135278072 /nfs/dbraw/zinc/27/80/72/135278072.db2.gz FOZJKLMNFBQGGL-QWRGUYRKSA-N 1 0 239.363 1.670 10 30 BDEERO CNC(NCc1nc(C(C)C)c(C)s1)=[NH+]C ZINC000262305510 135291890 /nfs/dbraw/zinc/29/18/90/135291890.db2.gz MEWPTZKQLVAZLE-UHFFFAOYSA-N 1 0 240.376 1.870 10 30 BDEERO CN(C)C(=[NH+]C[C@H]1CCC[C@@H](CO)C1)N(C)C ZINC000262326013 135293315 /nfs/dbraw/zinc/29/33/15/135293315.db2.gz UBWUIEJSSZYBNK-NWDGAFQWSA-N 1 0 241.379 1.264 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262373497 135297778 /nfs/dbraw/zinc/29/77/78/135297778.db2.gz JASBZJBWQJVPQE-VIFPVBQESA-N 1 0 223.251 1.136 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC2C[C@H](C)O[C@@H](C)C2)N1 ZINC000262649603 135310977 /nfs/dbraw/zinc/31/09/77/135310977.db2.gz KBIPWCPGOHJLBF-UTLUCORTSA-N 1 0 225.336 1.127 10 30 BDEERO C[C@H]1C[NH+]=C(NCc2cc(F)cc(F)c2)N1 ZINC000262686876 135314080 /nfs/dbraw/zinc/31/40/80/135314080.db2.gz YREITXSCTAIGGT-ZETCQYMHSA-N 1 0 225.242 1.402 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000263107357 135333172 /nfs/dbraw/zinc/33/31/72/135333172.db2.gz KRKDOPRECAXUTE-WISYIIOYSA-N 1 0 219.332 1.526 10 30 BDEERO [NH2+]=C(NC[C@@H]1CC12CC2)N1CCSCC1 ZINC000263178984 135337600 /nfs/dbraw/zinc/33/76/00/135337600.db2.gz TZRGDVTUIWUMRZ-VIFPVBQESA-N 1 0 225.361 1.150 10 30 BDEERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1cnc(C#N)cn1 ZINC000274705799 135367598 /nfs/dbraw/zinc/36/75/98/135367598.db2.gz RVHAFXCKYNWNBQ-CMPLNLGQSA-N 1 0 245.330 1.125 10 30 BDEERO Cn1cc([C@@H]2CCC[N@@H+]2CCOCCC#N)cn1 ZINC000293030189 135376870 /nfs/dbraw/zinc/37/68/70/135376870.db2.gz IWWMBZZOBWKYAP-ZDUSSCGKSA-N 1 0 248.330 1.487 10 30 BDEERO C=C(Br)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000307421198 398103054 /nfs/dbraw/zinc/10/30/54/398103054.db2.gz NSFSDYGKPTWDPO-NXEZZACHSA-N 1 0 245.164 1.436 10 30 BDEERO C#CC[NH2+]CCOc1cccc2cccnc21 ZINC000053585798 166187716 /nfs/dbraw/zinc/18/77/16/166187716.db2.gz CLWDVCUCJNJYAK-UHFFFAOYSA-N 1 0 226.279 1.836 10 30 BDEERO C#CC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000039093709 166187899 /nfs/dbraw/zinc/18/78/99/166187899.db2.gz ISGDRUJSNRUSDS-UHFFFAOYSA-N 1 0 212.293 1.124 10 30 BDEERO C#CC[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000037184902 166192645 /nfs/dbraw/zinc/19/26/45/166192645.db2.gz WMHXBANGJUHGJX-SECBINFHSA-N 1 0 217.272 1.461 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]([NH3+])[C@H](C)CC)c1 ZINC000019439182 166222711 /nfs/dbraw/zinc/22/27/11/166222711.db2.gz UJROHDYWJBVBEC-MFKMUULPSA-N 1 0 230.311 1.980 10 30 BDEERO C=CCNC(=O)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000057527107 166374449 /nfs/dbraw/zinc/37/44/49/166374449.db2.gz SOXBMZJXKKJDFJ-LLVKDONJSA-N 1 0 236.290 1.560 10 30 BDEERO C=CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176367782 166375149 /nfs/dbraw/zinc/37/51/49/166375149.db2.gz ZJEQIMAGMDKKSN-LLVKDONJSA-N 1 0 225.336 1.298 10 30 BDEERO C=CCNC(=O)[C@@H](C)Oc1cccc(CC[NH3+])c1 ZINC000037721288 166385230 /nfs/dbraw/zinc/38/52/30/166385230.db2.gz WSAOTSCEQITIPE-LLVKDONJSA-N 1 0 248.326 1.257 10 30 BDEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccccc1 ZINC000076609440 166385461 /nfs/dbraw/zinc/38/54/61/166385461.db2.gz BVUAWORUAIVORQ-LBPRGKRZSA-N 1 0 218.300 1.421 10 30 BDEERO C=CCNC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000071084472 166395928 /nfs/dbraw/zinc/39/59/28/166395928.db2.gz OVVGAXJXILBXBY-SNVBAGLBSA-N 1 0 227.377 1.073 10 30 BDEERO C=CCOc1ccccc1C[NH2+][C@H](C)C(=O)NC ZINC000042561724 166425920 /nfs/dbraw/zinc/42/59/20/166425920.db2.gz MZPDXCBICCIZFC-LLVKDONJSA-N 1 0 248.326 1.476 10 30 BDEERO CC(C)[NH2+]C[C@@H](O)COc1cccc(C#N)c1 ZINC000003602465 167110477 /nfs/dbraw/zinc/11/04/77/167110477.db2.gz MZMXHNPUBSQJHD-GFCCVEGCSA-N 1 0 234.299 1.296 10 30 BDEERO CC(C)OCCOCc1ccc(C#CC[NH3+])cc1 ZINC000049610775 167248281 /nfs/dbraw/zinc/24/82/81/167248281.db2.gz MEFSDOMODXYZRT-UHFFFAOYSA-N 1 0 247.338 1.938 10 30 BDEERO C[C@@H]([NH3+])[C@@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000132952061 411181532 /nfs/dbraw/zinc/18/15/32/411181532.db2.gz LLGANCQACGPENA-RNCFNFMXSA-N 1 0 249.289 1.250 10 30 BDEERO C=C[C@H](CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000662168370 411371465 /nfs/dbraw/zinc/37/14/65/411371465.db2.gz CVCPDKNGBFQMAT-NWDGAFQWSA-N 1 0 203.285 1.463 10 30 BDEERO C=CCOCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659357915 411374416 /nfs/dbraw/zinc/37/44/16/411374416.db2.gz CKXOFZNLHAMJGV-LBPRGKRZSA-N 1 0 240.347 1.085 10 30 BDEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000659330682 411395937 /nfs/dbraw/zinc/39/59/37/411395937.db2.gz ZOQREKRJKBXNAO-AGIUHOORSA-N 1 0 236.359 1.847 10 30 BDEERO CCNC(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049587423 170071513 /nfs/dbraw/zinc/07/15/13/170071513.db2.gz GEEODZKGWMYJRN-UHFFFAOYSA-N 1 0 245.326 1.158 10 30 BDEERO CCNC(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049587432 170071576 /nfs/dbraw/zinc/07/15/76/170071576.db2.gz VTKGARSNMQVDRE-UHFFFAOYSA-N 1 0 245.326 1.158 10 30 BDEERO CCNC(=O)[C@@H](C)N[C@H](CC#N)c1ccccc1 ZINC000055018018 170089222 /nfs/dbraw/zinc/08/92/22/170089222.db2.gz NFXBNKJNNWEXMF-DGCLKSJQSA-N 1 0 245.326 1.756 10 30 BDEERO CC[NH2+]CCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050619736 170118399 /nfs/dbraw/zinc/11/83/99/170118399.db2.gz XWUYPKTWIDUAAV-UHFFFAOYSA-N 1 0 242.282 1.760 10 30 BDEERO CC[NH2+][C@@H](C)CC(=O)N(C)c1ccc(C#N)cc1 ZINC000061980461 170138701 /nfs/dbraw/zinc/13/87/01/170138701.db2.gz OGBJCWJHGPEDIL-NSHDSACASA-N 1 0 245.326 1.909 10 30 BDEERO C[C@@H]1CC[C@H](Nc2ccc(C#N)cn2)C[NH2+]1 ZINC000600955675 411838349 /nfs/dbraw/zinc/83/83/49/411838349.db2.gz QFIHIBNAFZBZDL-KOLCDFICSA-N 1 0 216.288 1.506 10 30 BDEERO CC[C@@H]1CN(c2c(C#N)c(C)nn2C)CC[N@@H+]1C ZINC000104307990 171097439 /nfs/dbraw/zinc/09/74/39/171097439.db2.gz VIVKVQWZSAWZET-LLVKDONJSA-N 1 0 247.346 1.131 10 30 BDEERO CC[C@@](C)(C=O)C[NH+]1CCN(CC2CC2)CC1 ZINC000051205032 171163457 /nfs/dbraw/zinc/16/34/57/171163457.db2.gz LBMGNUJYZBGFCJ-CQSZACIVSA-N 1 0 238.375 1.629 10 30 BDEERO CC[C@H](C)[N@H+](CCCC/C(N)=N/O)CCOC ZINC000042583764 171313695 /nfs/dbraw/zinc/31/36/95/171313695.db2.gz SASBWGMDDMJJFS-NSHDSACASA-N 1 0 245.367 1.650 10 30 BDEERO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000662630066 412249248 /nfs/dbraw/zinc/24/92/48/412249248.db2.gz IATGOKKHJAAPEL-GHMZBOCLSA-N 1 0 210.321 1.409 10 30 BDEERO C=CCCC(C)(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000662953770 412353474 /nfs/dbraw/zinc/35/34/74/412353474.db2.gz PXMGAIMCWDCEGC-MNOVXSKESA-N 1 0 224.348 1.975 10 30 BDEERO CN(C(=O)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000059095710 172327214 /nfs/dbraw/zinc/32/72/14/172327214.db2.gz JCFDMSHRCSPXNS-LBPRGKRZSA-N 1 0 229.283 1.273 10 30 BDEERO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1C#N ZINC000077343560 172327438 /nfs/dbraw/zinc/32/74/38/172327438.db2.gz ARJMDWOOFZYTOI-NSHDSACASA-N 1 0 229.283 1.273 10 30 BDEERO C[N@@H+]1CCCN(c2ccc(C#N)cc2N)CC1 ZINC000035674261 173017881 /nfs/dbraw/zinc/01/78/81/173017881.db2.gz GDTIRYPSSPWLEY-UHFFFAOYSA-N 1 0 230.315 1.282 10 30 BDEERO C[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2)C1 ZINC000037655394 173116937 /nfs/dbraw/zinc/11/69/37/173116937.db2.gz LVFFIGJIKULGMA-LBPRGKRZSA-N 1 0 215.300 1.922 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000049086250 173126025 /nfs/dbraw/zinc/12/60/25/173126025.db2.gz YNXIKBCCDKVGRJ-SNVBAGLBSA-N 1 0 202.261 1.069 10 30 BDEERO C[N@@H+]1CC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000061986491 173126208 /nfs/dbraw/zinc/12/62/08/173126208.db2.gz PXTLLIWYSUZPPJ-CYBMUJFWSA-N 1 0 215.300 1.869 10 30 BDEERO CNC(=O)CC[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054828137 173260086 /nfs/dbraw/zinc/26/00/86/173260086.db2.gz FAVXNDWHGLPBND-QWRGUYRKSA-N 1 0 223.320 1.185 10 30 BDEERO C[NH2+]CCC(=O)Nc1sccc1C#N ZINC000047864634 173342247 /nfs/dbraw/zinc/34/22/47/173342247.db2.gz FFQZKILXITWTGX-UHFFFAOYSA-N 1 0 209.274 1.168 10 30 BDEERO COCCOCc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610719 174364343 /nfs/dbraw/zinc/36/43/43/174364343.db2.gz KSJTXHIOYZRUEE-UHFFFAOYSA-N 1 0 237.274 1.299 10 30 BDEERO COc1ccc(C#CC[NH3+])cc1NC(=O)C1CC1 ZINC000049587354 175050896 /nfs/dbraw/zinc/05/08/96/175050896.db2.gz YPNJQYMTMGNPQQ-UHFFFAOYSA-N 1 0 244.294 1.354 10 30 BDEERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCC#N)cc1 ZINC000042960539 175181685 /nfs/dbraw/zinc/18/16/85/175181685.db2.gz LLXFZLJXPKJYGA-BXUZGUMPSA-N 1 0 247.342 1.929 10 30 BDEERO COc1cccc([C@H](C#N)N2CC[NH2+]CC2)c1 ZINC000019277370 175291314 /nfs/dbraw/zinc/29/13/14/175291314.db2.gz ZIFWTRPSIDOUQU-ZDUSSCGKSA-N 1 0 231.299 1.165 10 30 BDEERO COc1cccc([C@H](CNCC#N)[NH+](C)C)c1 ZINC000020070568 175294522 /nfs/dbraw/zinc/29/45/22/175294522.db2.gz GNQFVVWTAMVWIX-ZDUSSCGKSA-N 1 0 233.315 1.411 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)cn1 ZINC000336661182 175662629 /nfs/dbraw/zinc/66/26/29/175662629.db2.gz NWXDHPHJAGJNGH-JTQLQIEISA-N 1 0 218.304 1.305 10 30 BDEERO C[C@@H]1CCCC[C@@]1(C#N)N1CC[NH2+]CC1 ZINC000019406947 176083699 /nfs/dbraw/zinc/08/36/99/176083699.db2.gz OZTYRGWEZGSPMH-NEPJUHHUSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@@H]1CCCC[C@]1(C#N)N1CC[NH2+]CC1 ZINC000019406953 176089954 /nfs/dbraw/zinc/08/99/54/176089954.db2.gz OZTYRGWEZGSPMH-VXGBXAGGSA-N 1 0 207.321 1.364 10 30 BDEERO C[C@@H]1CC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049613610 176173774 /nfs/dbraw/zinc/17/37/74/176173774.db2.gz URPROTUDUNFGQL-CYBMUJFWSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@@H]1CN(Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049608501 176304600 /nfs/dbraw/zinc/30/46/00/176304600.db2.gz XWFIPEYOCRBNAL-CYBMUJFWSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1[NH+](C)C ZINC000251791347 176318966 /nfs/dbraw/zinc/31/89/66/176318966.db2.gz NKLFFOUEDCXRSG-ZWNOBZJWSA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H](C[NH3+])C(=O)N(C)Cc1cccc(C#N)c1 ZINC000054341060 176654622 /nfs/dbraw/zinc/65/46/22/176654622.db2.gz QCNZRZNPNVPOEV-SNVBAGLBSA-N 1 0 231.299 1.111 10 30 BDEERO C[C@H](c1cccc(C#CC[NH3+])c1)N1CCCC1=O ZINC000049587787 177034981 /nfs/dbraw/zinc/03/49/81/177034981.db2.gz MZROVDPOTZMECQ-GFCCVEGCSA-N 1 0 242.322 1.680 10 30 BDEERO C[C@H]1CC[N@H+](Cc2ccccc2C#CCO)C1 ZINC000049613609 177164992 /nfs/dbraw/zinc/16/49/92/177164992.db2.gz HTAWLFAZDQDMTE-ZDUSSCGKSA-N 1 0 229.323 1.872 10 30 BDEERO C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000251659155 177261964 /nfs/dbraw/zinc/26/19/64/177261964.db2.gz GUBDFUWVZZSIEB-SWLSCSKDSA-N 1 0 243.354 1.940 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000251569547 177275905 /nfs/dbraw/zinc/27/59/05/177275905.db2.gz BYEAYEKBEUJWRZ-SMDDNHRTSA-N 1 0 229.327 1.945 10 30 BDEERO C[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1[NH+](C)C ZINC000251791346 177276250 /nfs/dbraw/zinc/27/62/50/177276250.db2.gz NKLFFOUEDCXRSG-GXFFZTMASA-N 1 0 230.315 1.340 10 30 BDEERO C[C@H]1C[NH2+]C[C@@H](c2ccc(C#N)cc2)O1 ZINC000036986381 177285967 /nfs/dbraw/zinc/28/59/67/177285967.db2.gz OSUKNIZYVKSGHG-CABZTGNLSA-N 1 0 202.257 1.608 10 30 BDEERO C[NH+](C)CCCC(=O)c1ccc(C#N)cc1CO ZINC000504123313 226339054 /nfs/dbraw/zinc/33/90/54/226339054.db2.gz DJYBHBNFBVKAQJ-UHFFFAOYSA-N 1 0 246.310 1.575 10 30 BDEERO Cc1nnc(NCCC[NH2+]C(C)C)c(C#N)c1C ZINC000557309620 322936284 /nfs/dbraw/zinc/93/62/84/322936284.db2.gz LURRNFVGLXWEFM-UHFFFAOYSA-N 1 0 247.346 1.765 10 30 BDEERO C[C@H]([NH3+])[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000394620257 262741281 /nfs/dbraw/zinc/74/12/81/262741281.db2.gz PSGLJWWJHTWCFW-UWVGGRQHSA-N 1 0 240.310 1.676 10 30 BDEERO Cc1cc(N2CCC[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000308240508 229225158 /nfs/dbraw/zinc/22/51/58/229225158.db2.gz MDAHXLLQCDTXJH-SNVBAGLBSA-N 1 0 216.288 1.189 10 30 BDEERO Cc1cc(N2CCC[C@H](CC[NH3+])C2)cc(C#N)n1 ZINC000308243519 229420675 /nfs/dbraw/zinc/42/06/75/229420675.db2.gz VRYMNPPGFAHPAE-GFCCVEGCSA-N 1 0 244.342 1.827 10 30 BDEERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CO1 ZINC000396801982 262822060 /nfs/dbraw/zinc/82/20/60/262822060.db2.gz LIRFFLMHLYRESI-OUAUKWLOSA-N 1 0 208.305 1.836 10 30 BDEERO Cc1cc(NCC[C@@H]2CC[NH2+]C2)cc(C#N)n1 ZINC000308238422 323151956 /nfs/dbraw/zinc/15/19/56/323151956.db2.gz JLTUYPNEFOHZQL-NSHDSACASA-N 1 0 230.315 1.673 10 30 BDEERO C[C@@H](C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000111302839 323158658 /nfs/dbraw/zinc/15/86/58/323158658.db2.gz YWNCHMKMGPRFMJ-VIFPVBQESA-N 1 0 230.315 1.591 10 30 BDEERO C=CCSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567041612 326105154 /nfs/dbraw/zinc/10/51/54/326105154.db2.gz YQSVZFWPWQJZSS-NWDGAFQWSA-N 1 0 228.405 1.883 10 30 BDEERO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)o1 ZINC000135482874 487973615 /nfs/dbraw/zinc/97/36/15/487973615.db2.gz CNUOQVHPAWXTFM-UWVGGRQHSA-N 1 0 220.272 1.544 10 30 BDEERO CN(C)c1cc(N2CC[NH2+]CC2)c(F)cc1C#N ZINC000147348492 491109980 /nfs/dbraw/zinc/10/99/80/491109980.db2.gz AYDDYHGFNQPHCJ-UHFFFAOYSA-N 1 0 248.305 1.173 10 30 BDEERO Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc(C#N)n1 ZINC000308245136 533914491 /nfs/dbraw/zinc/91/44/91/533914491.db2.gz QRYNPJWZMIJMHG-MNOVXSKESA-N 1 0 230.315 1.448 10 30 BDEERO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000175397600 534667661 /nfs/dbraw/zinc/66/76/61/534667661.db2.gz ARCHFUJWJFPMOH-LBPRGKRZSA-N 1 0 224.348 1.943 10 30 BDEERO C=CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803693 534817602 /nfs/dbraw/zinc/81/76/02/534817602.db2.gz LVIPPKAHPXZZJC-GFCCVEGCSA-N 1 0 232.331 1.563 10 30 BDEERO CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@@H]1C ZINC000262799687 535260942 /nfs/dbraw/zinc/26/09/42/535260942.db2.gz QUSLXAOKYZLCKD-WDEREUQCSA-N 1 0 239.363 1.255 10 30 BDEERO CC[NH+]=C(NC[C@]1(C)CCCO1)N[C@@H]1C[C@@H]1C ZINC000261694120 535264115 /nfs/dbraw/zinc/26/41/15/535264115.db2.gz FKAOKVAKFCZTOJ-LOWVWBTDSA-N 1 0 239.363 1.519 10 30 BDEERO CC[NH+]=C(NC[C@]1(C)CCCO1)N[C@@H]1C[C@H]1C ZINC000261694127 535264720 /nfs/dbraw/zinc/26/47/20/535264720.db2.gz FKAOKVAKFCZTOJ-WZRBSPASSA-N 1 0 239.363 1.519 10 30 BDEERO CC[C@H](C)NC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262332759 536146335 /nfs/dbraw/zinc/14/63/35/536146335.db2.gz FRMMJUYMXPTHDP-ZETCQYMHSA-N 1 0 219.279 1.735 10 30 BDEERO CC#CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000119097820 566352274 /nfs/dbraw/zinc/35/22/74/566352274.db2.gz SLIOYLYWHCFMCX-UHFFFAOYSA-N 1 0 230.315 1.012 10 30 BDEERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000129104627 591248456 /nfs/dbraw/zinc/24/84/56/591248456.db2.gz KCYFESODPNQEDF-SNVBAGLBSA-N 1 0 246.270 1.265 10 30 BDEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C[NH3+] ZINC000131995574 591681877 /nfs/dbraw/zinc/68/18/77/591681877.db2.gz VECWEWYHWMSHRW-NSHDSACASA-N 1 0 246.270 1.394 10 30 BDEERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])cc1C#N ZINC000133833961 591861851 /nfs/dbraw/zinc/86/18/51/591861851.db2.gz LRTZZURFYHUZBK-UHFFFAOYSA-N 1 0 234.259 1.251 10 30 BDEERO N#Cc1sc(NC[C@@H]2CCC[NH2+]2)nc1Cl ZINC000236076726 632873693 /nfs/dbraw/zinc/87/36/93/632873693.db2.gz TVAIJQIUHBUMIZ-LURJTMIESA-N 1 0 242.735 1.832 10 30 BDEERO C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000328184526 633739138 /nfs/dbraw/zinc/73/91/38/633739138.db2.gz OFTALQXSNJEFFK-CLLJXQQHSA-N 1 0 234.343 1.104 10 30 BDEERO C[C@H]1CCC[N@H+](Cc2nn(C)cc2CC#N)C1 ZINC000675054287 636368447 /nfs/dbraw/zinc/36/84/47/636368447.db2.gz PLNXEAZCQDVCIZ-NSHDSACASA-N 1 0 232.331 1.718 10 30 BDEERO C#C[C@]1(O)C[C@H](C)[NH2+]C[C@@]1(C)CCC#N ZINC000169294503 640848219 /nfs/dbraw/zinc/84/82/19/640848219.db2.gz GLAUMXWUXMHJQQ-TUAOUCFPSA-N 1 0 206.289 1.043 10 30 BDEERO C=C(CC)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228802034 640897279 /nfs/dbraw/zinc/89/72/79/640897279.db2.gz YHLSITFFEBVLFH-QWRGUYRKSA-N 1 0 211.305 1.694 10 30 BDEERO N#Cc1ccc(F)c(COC2C[NH2+]C2)c1 ZINC000062809887 641096281 /nfs/dbraw/zinc/09/62/81/641096281.db2.gz HYEDVIIIZWUHGU-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO C#CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000070191007 642990699 /nfs/dbraw/zinc/99/06/99/642990699.db2.gz YZEQXOCQTIKASW-UHFFFAOYSA-N 1 0 217.268 1.571 10 30 BDEERO C#CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000070246130 643005167 /nfs/dbraw/zinc/00/51/67/643005167.db2.gz POJBQGYBHZZLMG-UHFFFAOYSA-N 1 0 225.295 1.985 10 30 BDEERO C#CCC[NH2+]Cc1cccc(COC)c1 ZINC000082496937 643326729 /nfs/dbraw/zinc/32/67/29/643326729.db2.gz CLIPWGIFWBQBQA-UHFFFAOYSA-N 1 0 203.285 1.946 10 30 BDEERO C#CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000082497036 643327106 /nfs/dbraw/zinc/32/71/06/643327106.db2.gz AFORDBSAXPPNPX-UHFFFAOYSA-N 1 0 237.324 1.203 10 30 BDEERO CCN(c1cc(C#N)ccn1)[C@@H]1CC[NH2+]C1 ZINC000070901418 643581962 /nfs/dbraw/zinc/58/19/62/643581962.db2.gz KRMFGKYKJGGVSM-LLVKDONJSA-N 1 0 216.288 1.141 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236498756 643682703 /nfs/dbraw/zinc/68/27/03/643682703.db2.gz NKJGGHMVOGOLCQ-VXGBXAGGSA-N 1 0 210.321 1.821 10 30 BDEERO CC[NH+]=C(NCC1(O)CCC1)N[C@H](C)C(C)C ZINC000086118858 643915434 /nfs/dbraw/zinc/91/54/34/643915434.db2.gz LTQHHHGUYNFFIJ-LLVKDONJSA-N 1 0 241.379 1.501 10 30 BDEERO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1CCCO ZINC000304258223 644883037 /nfs/dbraw/zinc/88/30/37/644883037.db2.gz SMWHTOPLTATNNC-NWDGAFQWSA-N 1 0 226.320 1.152 10 30 BDEERO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252881068 644918886 /nfs/dbraw/zinc/91/88/86/644918886.db2.gz ZONXZLMQGNHLLN-HBNTYKKESA-N 1 0 222.332 1.939 10 30 BDEERO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000711140146 712285216 /nfs/dbraw/zinc/28/52/16/712285216.db2.gz VIQRQJWSFXHMBH-SNVBAGLBSA-N 1 0 231.299 1.058 10 30 BDEERO C#CC[C@H](COC)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000716957904 712600338 /nfs/dbraw/zinc/60/03/38/712600338.db2.gz NPRUJHGVCBVPAN-FRRDWIJNSA-N 1 0 223.316 1.182 10 30 BDEERO C#CC[C@H](CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000717801189 712679582 /nfs/dbraw/zinc/67/95/82/712679582.db2.gz JUAHZDMPAWTVOF-TZMCWYRMSA-N 1 0 215.296 1.648 10 30 BDEERO Cc1ccnc(N[C@H]2C[NH2+]CC2(C)C)c1C#N ZINC000721978381 711856031 /nfs/dbraw/zinc/85/60/31/711856031.db2.gz VRMKSBWCKQOXBL-NSHDSACASA-N 1 0 230.315 1.672 10 30 BDEERO C#C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(C)C ZINC000701090917 712014841 /nfs/dbraw/zinc/01/48/41/712014841.db2.gz QMXGUTSBGIESOJ-AGIUHOORSA-N 1 0 207.317 1.801 10 30 BDEERO CN(CCCCCC[NH3+])c1ccnc(C#N)c1 ZINC000710781980 712256656 /nfs/dbraw/zinc/25/66/56/712256656.db2.gz QLHQMWPPKUNTDE-UHFFFAOYSA-N 1 0 232.331 1.909 10 30 BDEERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000378680580 712357746 /nfs/dbraw/zinc/35/77/46/712357746.db2.gz VOZQTQZNGLHPQS-OUAUKWLOSA-N 1 0 207.277 1.197 10 30 BDEERO C=C(Br)C[NH2+]C[C@H](O)C(C)(C)C ZINC000379331909 712374545 /nfs/dbraw/zinc/37/45/45/712374545.db2.gz GKQTZOHBXCOVEA-QMMMGPOBSA-N 1 0 236.153 1.892 10 30 BDEERO CCC1([NH3+])CCN(c2cnc(C#N)cn2)CC1 ZINC000714751474 712497344 /nfs/dbraw/zinc/49/73/44/712497344.db2.gz CNUGIIOPQAKRMM-UHFFFAOYSA-N 1 0 231.303 1.056 10 30 BDEERO CCC1([NH3+])CCN(c2nc(C)ccc2C#N)CC1 ZINC000714752069 712497364 /nfs/dbraw/zinc/49/73/64/712497364.db2.gz MYYVXLBSKUHNQT-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO N#Cc1cc2c(nc1NC[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000715096883 712508242 /nfs/dbraw/zinc/50/82/42/712508242.db2.gz OSECMBYMRNTNRQ-WVSHTKLVSA-N 1 0 242.326 1.591 10 30 BDEERO N#Cc1cc(F)c(NCC2CC([NH3+])C2)c(F)c1 ZINC000715096707 712508423 /nfs/dbraw/zinc/50/84/23/712508423.db2.gz OGWUHYMACDQDKB-UHFFFAOYSA-N 1 0 237.253 1.986 10 30 BDEERO CC#CC[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000717804717 712680238 /nfs/dbraw/zinc/68/02/38/712680238.db2.gz NBVYNJQIVNOKKW-AWEZNQCLSA-N 1 0 217.312 1.593 10 30 BDEERO C=C(Br)C[NH2+]C(C)(C)CO ZINC000037681297 712738323 /nfs/dbraw/zinc/73/83/23/712738323.db2.gz ARFODMKSFYPOAW-UHFFFAOYSA-N 1 0 208.099 1.256 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000720750657 712863800 /nfs/dbraw/zinc/86/38/00/712863800.db2.gz YOLNOSCYDWYEOX-LBPRGKRZSA-N 1 0 215.300 1.732 10 30 BDEERO Cc1ccc(C#N)c(N2C[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000720759941 712863906 /nfs/dbraw/zinc/86/39/06/712863906.db2.gz UEEPNCDBKCQYIB-LLVKDONJSA-N 1 0 230.315 1.435 10 30 BDEERO C[NH2+]CCN(c1ccc(C#N)cc1)C(C)C ZINC000720791262 712865959 /nfs/dbraw/zinc/86/59/59/712865959.db2.gz MGJYIIDHXMDRIC-UHFFFAOYSA-N 1 0 217.316 1.992 10 30 BDEERO C[C@@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953732 538898609 /nfs/dbraw/zinc/89/86/09/538898609.db2.gz PFHCCMFGJTUDDU-UWVGGRQHSA-N 1 0 209.289 1.330 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]1CCCCC[NH2+]1 ZINC000685954075 538898770 /nfs/dbraw/zinc/89/87/70/538898770.db2.gz RXLBYTDMOLJOFS-LLVKDONJSA-N 1 0 223.316 1.864 10 30 BDEERO CC(C)C[C@@H]([NH3+])C#CC(=O)OC(C)(C)C ZINC000685954309 538899374 /nfs/dbraw/zinc/89/93/74/538899374.db2.gz VAAJCKHOABVSRG-JTQLQIEISA-N 1 0 211.305 1.705 10 30 BDEERO COCC#CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685958522 538905949 /nfs/dbraw/zinc/90/59/49/538905949.db2.gz DOJRWURWXGIRGC-UHFFFAOYSA-N 1 0 245.322 1.775 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000308999122 136217097 /nfs/dbraw/zinc/21/70/97/136217097.db2.gz NLNOGLHYJHLOJK-HBNTYKKESA-N 1 0 210.321 1.675 10 30 BDEERO C#CC[N@@H+](C)CCCNC(=O)OC(C)C ZINC000297212303 343997604 /nfs/dbraw/zinc/99/76/04/343997604.db2.gz VJMIGZLZMYKWAM-UHFFFAOYSA-N 1 0 212.293 1.076 10 30 BDEERO Cc1ccc(C#N)c(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883256 178365883 /nfs/dbraw/zinc/36/58/83/178365883.db2.gz MVWQJTCKYHBHFX-NSHDSACASA-N 1 0 231.299 1.640 10 30 BDEERO CC[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000389177948 342800535 /nfs/dbraw/zinc/80/05/35/342800535.db2.gz PNZJHYSSCOOIHA-CYBMUJFWSA-N 1 0 247.317 1.881 10 30 BDEERO CC1CC(C#N)(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)C1 ZINC000124181043 342794269 /nfs/dbraw/zinc/79/42/69/342794269.db2.gz HDRZVPRDILWNIR-CBKZZEEASA-N 1 0 249.358 1.335 10 30 BDEERO CCC#C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000380171773 538987104 /nfs/dbraw/zinc/98/71/04/538987104.db2.gz DRECSUCGMJEFFN-HBNTYKKESA-N 1 0 208.305 1.045 10 30 BDEERO N#Cc1cccnc1NCCC1(C[NH3+])CC1 ZINC000404624741 398293249 /nfs/dbraw/zinc/29/32/49/398293249.db2.gz AFMAEWGMJDCYNE-UHFFFAOYSA-N 1 0 216.288 1.494 10 30 BDEERO CNC(=[NH2+])Cc1nc(CS)cs1 ZINC000238317869 259325402 /nfs/dbraw/zinc/32/54/02/259325402.db2.gz MUFNMPCMGNIKHG-UHFFFAOYSA-N 1 0 201.320 1.312 10 30 BDEERO CC[NH2+]CCCNc1nnc(C)c(C)c1C#N ZINC000124140290 398314012 /nfs/dbraw/zinc/31/40/12/398314012.db2.gz BBCDXUUCAFFRQO-UHFFFAOYSA-N 1 0 233.319 1.377 10 30 BDEERO CC[C@H]([NH3+])CNc1cc(C)nc(C#N)c1 ZINC000308239790 529454103 /nfs/dbraw/zinc/45/41/03/529454103.db2.gz LQMOBVXOMACJHJ-VIFPVBQESA-N 1 0 204.277 1.411 10 30 BDEERO N#Cc1cc(N[C@@H](C[NH3+])C2CCCC2)ncn1 ZINC000310305931 343422819 /nfs/dbraw/zinc/42/28/19/343422819.db2.gz RRIGXEPAGUOFPP-NSHDSACASA-N 1 0 231.303 1.278 10 30 BDEERO C=CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886965 136363816 /nfs/dbraw/zinc/36/38/16/136363816.db2.gz BGXBKVMMAAMIPP-UHFFFAOYSA-N 1 0 205.305 1.781 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000083466260 343486811 /nfs/dbraw/zinc/48/68/11/343486811.db2.gz QFSQPUGJNZJSHW-QWRGUYRKSA-N 1 0 208.305 1.573 10 30 BDEERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000083465383 343608028 /nfs/dbraw/zinc/60/80/28/343608028.db2.gz JJCMZRDKYPCPDO-WOPDTQHZSA-N 1 0 210.321 1.819 10 30 BDEERO Cc1nnc(NCC[NH2+]C2CC2)c(C#N)c1C ZINC000096470262 343744400 /nfs/dbraw/zinc/74/44/00/343744400.db2.gz JNXOSQHBZDMDKS-UHFFFAOYSA-N 1 0 231.303 1.129 10 30 BDEERO C[C@H]1C[N@H+](CC2(C=O)CCCC2)CCO1 ZINC000051175483 346975223 /nfs/dbraw/zinc/97/52/23/346975223.db2.gz KHGZCSNRXOUSDR-NSHDSACASA-N 1 0 211.305 1.466 10 30 BDEERO N#C[C@@H](NC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000409440972 343854658 /nfs/dbraw/zinc/85/46/58/343854658.db2.gz NCRGEPHNSFIEOV-LLVKDONJSA-N 1 0 221.691 1.466 10 30 BDEERO CN([C@H](C#N)c1cccs1)C1C[NH2+]C1 ZINC000409442033 343856947 /nfs/dbraw/zinc/85/69/47/343856947.db2.gz SJEHVGYXSZBBAF-SECBINFHSA-N 1 0 207.302 1.216 10 30 BDEERO C#CCn1cc(CC(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409437703 343848429 /nfs/dbraw/zinc/84/84/29/343848429.db2.gz IEODDPPBNVWRPZ-UHFFFAOYSA-N 1 0 244.323 1.723 10 30 BDEERO C#CCn1nc(-c2ccsc2)cc1C[NH2+]C ZINC000409443982 343864027 /nfs/dbraw/zinc/86/40/27/343864027.db2.gz XUCJTNUPADHETL-UHFFFAOYSA-N 1 0 231.324 1.964 10 30 BDEERO C[C@H]1SCC[N@@H+](C(C)(C)C=O)[C@@H]1C ZINC000307636945 343957434 /nfs/dbraw/zinc/95/74/34/343957434.db2.gz VLDSRUUQPBWZLO-RKDXNWHRSA-N 1 0 201.335 1.790 10 30 BDEERO CC(C)(C[NH3+])C1CCN(C(=O)CC#N)CC1 ZINC000616570943 344179119 /nfs/dbraw/zinc/17/91/19/344179119.db2.gz IGLXWFGIDVEESM-UHFFFAOYSA-N 1 0 223.320 1.124 10 30 BDEERO CCN(CC[NH3+])c1cc(C#N)cc(C)n1 ZINC000165932718 344240332 /nfs/dbraw/zinc/24/03/32/344240332.db2.gz LQOCJLQKHQWWSF-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO CCN(CC[NH3+])c1nccc(C)c1C#N ZINC000165941951 344246345 /nfs/dbraw/zinc/24/63/45/344246345.db2.gz CTHFNADSLHGKNE-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO C=C1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634771620 344287276 /nfs/dbraw/zinc/28/72/76/344287276.db2.gz BLCQBELEZHUPPE-JSGCOSHPSA-N 1 0 234.343 1.555 10 30 BDEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1F ZINC000600956654 344405960 /nfs/dbraw/zinc/40/59/60/344405960.db2.gz FHPHNOUZNMHTIT-GZMMTYOYSA-N 1 0 219.263 1.860 10 30 BDEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)nc1 ZINC000600958237 344461246 /nfs/dbraw/zinc/46/12/46/344461246.db2.gz DHISCKDOASETST-LBPRGKRZSA-N 1 0 230.315 1.661 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000381388176 344500603 /nfs/dbraw/zinc/50/06/03/344500603.db2.gz RHBGLRBIVNJXIA-HTQZYQBOSA-N 1 0 234.259 1.614 10 30 BDEERO C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC000235366461 344893801 /nfs/dbraw/zinc/89/38/01/344893801.db2.gz RXBQZQTULKBFCX-MFKMUULPSA-N 1 0 215.300 1.337 10 30 BDEERO CC(C)(C#N)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252692876 534988744 /nfs/dbraw/zinc/98/87/44/534988744.db2.gz DBCVMGHITBNSBS-LBPRGKRZSA-N 1 0 221.348 1.706 10 30 BDEERO C=C(Br)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000157394834 345258934 /nfs/dbraw/zinc/25/89/34/345258934.db2.gz VDIIWUXMDHEQBL-BDAKNGLRSA-N 1 0 233.153 1.564 10 30 BDEERO N#Cc1cc(F)ccc1NC1CC[NH2+]CC1 ZINC000082516539 345300923 /nfs/dbraw/zinc/30/09/23/345300923.db2.gz GVARJPDGHRXGOR-UHFFFAOYSA-N 1 0 219.263 1.861 10 30 BDEERO C[C@H]1CCCN(c2ccc(C#N)cn2)[C@H]1C[NH3+] ZINC000252217649 345807975 /nfs/dbraw/zinc/80/79/75/345807975.db2.gz YDMJSVOHPSIWOP-JQWIXIFHSA-N 1 0 230.315 1.517 10 30 BDEERO Cn1cncc1[C@@](C)([NH3+])c1ccc(C#N)c(F)c1 ZINC000143347767 345865232 /nfs/dbraw/zinc/86/52/32/345865232.db2.gz JFKANKQIIHQENU-ZDUSSCGKSA-N 1 0 244.273 1.653 10 30 BDEERO C#C[C@H]([NH2+]Cc1cnn(C)c1C)C(C)C ZINC000289573563 345918480 /nfs/dbraw/zinc/91/84/80/345918480.db2.gz SSTOFLKBJVUROL-LBPRGKRZSA-N 1 0 205.305 1.476 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000309544861 347097510 /nfs/dbraw/zinc/09/75/10/347097510.db2.gz ZKHYABKUYPREBF-NEPJUHHUSA-N 1 0 218.304 1.555 10 30 BDEERO N[NH+]=C(N)Nc1ccc(F)c(Br)c1 ZINC000164602665 346612461 /nfs/dbraw/zinc/61/24/61/346612461.db2.gz NQUNNYDPNOIHLR-UHFFFAOYSA-N 1 0 247.071 1.189 10 30 BDEERO C=C(Br)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894267 347247236 /nfs/dbraw/zinc/24/72/36/347247236.db2.gz VEUQWDZFMUEAPJ-VHSXEESVSA-N 1 0 245.164 1.579 10 30 BDEERO C#CC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000020084663 347349925 /nfs/dbraw/zinc/34/99/25/347349925.db2.gz RVXZSAJBYFULJU-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO O=C[C@@H]1CCCC[N@H+]1[C@H]1CCCC[C@@H]1O ZINC000251090594 362837376 /nfs/dbraw/zinc/83/73/76/362837376.db2.gz IFYQILGSUMGCNU-SRVKXCTJSA-N 1 0 211.305 1.343 10 30 BDEERO Cc1ccnc(N2CCC(C)([NH3+])CC2)c1C#N ZINC000591434666 347660019 /nfs/dbraw/zinc/66/00/19/347660019.db2.gz IPRILIZAJOHSAM-UHFFFAOYSA-N 1 0 230.315 1.579 10 30 BDEERO C=CCCOCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000128164275 323174350 /nfs/dbraw/zinc/17/43/50/323174350.db2.gz AWFGPEVAEOVEEH-LBPRGKRZSA-N 1 0 242.363 1.426 10 30 BDEERO N#Cc1cccc(NCC2([NH3+])CCCC2)n1 ZINC000594692131 348100270 /nfs/dbraw/zinc/10/02/70/348100270.db2.gz MUERUHCWFWCLTH-UHFFFAOYSA-N 1 0 216.288 1.637 10 30 BDEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)cc1[N+](=O)[O-] ZINC000594693889 348101331 /nfs/dbraw/zinc/10/13/31/348101331.db2.gz XSDYSLQZCXYMEI-UHFFFAOYSA-N 1 0 248.286 1.640 10 30 BDEERO N#Cc1csc(C[NH2+]C2CC(CO)C2)c1 ZINC000595001598 348169229 /nfs/dbraw/zinc/16/92/29/348169229.db2.gz YEBFYKWCUBHNTM-UHFFFAOYSA-N 1 0 222.313 1.480 10 30 BDEERO Cn1cncc1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000401851073 348202289 /nfs/dbraw/zinc/20/22/89/348202289.db2.gz SQHUGXPVDCVQBT-CMPLNLGQSA-N 1 0 218.304 1.244 10 30 BDEERO C=C(Br)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251676296 362897085 /nfs/dbraw/zinc/89/70/85/362897085.db2.gz HPEOZLRODZHIIX-VXNVDRBHSA-N 1 0 233.153 1.564 10 30 BDEERO C=CCCSCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000595939822 348409514 /nfs/dbraw/zinc/40/95/14/348409514.db2.gz MAOCDZGCNFWAON-NSHDSACASA-N 1 0 244.404 1.785 10 30 BDEERO C=CCCSCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000595940766 348409549 /nfs/dbraw/zinc/40/95/49/348409549.db2.gz VNKSGAQFXHYZAT-VHSXEESVSA-N 1 0 246.351 1.112 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000596032144 348427238 /nfs/dbraw/zinc/42/72/38/348427238.db2.gz HISBNRUARLKSEB-SSDOTTSWSA-N 1 0 238.722 1.935 10 30 BDEERO C[NH2+]C[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000596032232 348427249 /nfs/dbraw/zinc/42/72/49/348427249.db2.gz KCALHYLKDNHJAP-VIFPVBQESA-N 1 0 241.298 1.521 10 30 BDEERO C=CCN(CC=C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054305732 348979119 /nfs/dbraw/zinc/97/91/19/348979119.db2.gz QSYDISCAGRNOHJ-GFCCVEGCSA-N 1 0 222.332 1.577 10 30 BDEERO C[C@H](NC(=O)CC#N)c1cccc(C[NH3+])c1 ZINC000616573465 349070971 /nfs/dbraw/zinc/07/09/71/349070971.db2.gz SFDAXFQRDLXVMW-VIFPVBQESA-N 1 0 217.272 1.236 10 30 BDEERO N#CCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000616572589 349062027 /nfs/dbraw/zinc/06/20/27/349062027.db2.gz STWCYNQYVIZLEP-LLVKDONJSA-N 1 0 235.331 1.329 10 30 BDEERO CC(C)(C)[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000324498770 350301796 /nfs/dbraw/zinc/30/17/96/350301796.db2.gz NJXVDVKHSDVFMF-JTQLQIEISA-N 1 0 210.321 1.677 10 30 BDEERO C#CCn1cc(CC[NH3+])c(-c2ccccn2)n1 ZINC000409437308 350480430 /nfs/dbraw/zinc/48/04/30/350480430.db2.gz FWLOMRSVZRTVOF-UHFFFAOYSA-N 1 0 226.283 1.080 10 30 BDEERO N#Cc1ccnc(N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382450087 350815974 /nfs/dbraw/zinc/81/59/74/350815974.db2.gz DKDMCCWNZKGGCZ-ONGXEEELSA-N 1 0 216.288 1.493 10 30 BDEERO Cc1cc(C#N)cc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382471693 350839429 /nfs/dbraw/zinc/83/94/29/350839429.db2.gz QEUQYFMEUKDPDZ-JQWIXIFHSA-N 1 0 230.315 1.801 10 30 BDEERO N#Cc1ncccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382475560 350839474 /nfs/dbraw/zinc/83/94/74/350839474.db2.gz SPPNGDXWUARYLS-NXEZZACHSA-N 1 0 216.288 1.493 10 30 BDEERO CC(C)=CC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252643456 350914088 /nfs/dbraw/zinc/91/40/88/350914088.db2.gz NTWKNFRYXDHFNK-CMPLNLGQSA-N 1 0 209.289 1.385 10 30 BDEERO N#Cc1cccc(CSC(N)=[NH2+])c1F ZINC000222561961 350986858 /nfs/dbraw/zinc/98/68/58/350986858.db2.gz RMQDSLOMGMNJJG-UHFFFAOYSA-N 1 0 209.249 1.824 10 30 BDEERO C=C(CS)C[N@@H+]1CCS[C@H](C)C1 ZINC000231633310 350990958 /nfs/dbraw/zinc/99/09/58/350990958.db2.gz HPKJMMQWXNTJPH-SECBINFHSA-N 1 0 203.376 1.910 10 30 BDEERO CC[N@@H+]1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000389466311 351164974 /nfs/dbraw/zinc/16/49/74/351164974.db2.gz TYUYFOPSJBKRIW-LLVKDONJSA-N 1 0 216.288 1.459 10 30 BDEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000383018303 351166952 /nfs/dbraw/zinc/16/69/52/351166952.db2.gz LOFZXGPHVPRDJC-MRVPVSSYSA-N 1 0 234.259 1.250 10 30 BDEERO N#Cc1ccc([C@@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616648756 351177139 /nfs/dbraw/zinc/17/71/39/351177139.db2.gz BJSMMKWYNSDNTO-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO C[N@@H+]1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616649631 351178833 /nfs/dbraw/zinc/17/88/33/351178833.db2.gz OFBGTGGGVCQBGP-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO C[N@@H+]1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616653196 351188174 /nfs/dbraw/zinc/18/81/74/351188174.db2.gz YTFMELKPFCOSAQ-ZDUSSCGKSA-N 1 0 216.284 1.951 10 30 BDEERO C=C(Cl)CN1CC[C@H]([NH3+])[C@H](C)[C@H]1C ZINC000167975406 351141683 /nfs/dbraw/zinc/14/16/83/351141683.db2.gz XNMAGHCLNXDXPM-BBBLOLIVSA-N 1 0 202.729 1.797 10 30 BDEERO N#Cc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000616664169 351219025 /nfs/dbraw/zinc/21/90/25/351219025.db2.gz WOAMZUDLKGVXRY-GFCCVEGCSA-N 1 0 202.257 1.262 10 30 BDEERO C#CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000306969614 351386127 /nfs/dbraw/zinc/38/61/27/351386127.db2.gz SITBMZVQRPOLPB-OPRDCNLKSA-N 1 0 213.371 1.589 10 30 BDEERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[C@H]1CO1 ZINC000307021488 351429901 /nfs/dbraw/zinc/42/99/01/351429901.db2.gz XCNPSEJSQAYHKH-QJPTWQEYSA-N 1 0 211.305 1.419 10 30 BDEERO C=C[C@H]([NH3+])c1ncncc1Br ZINC000307033644 351433739 /nfs/dbraw/zinc/43/37/39/351433739.db2.gz MEYZDYGRWSXWGG-LURJTMIESA-N 1 0 214.066 1.425 10 30 BDEERO CC1(C)C[N@H+](CCS)[C@@H]2COC[C@@H]21 ZINC000307017813 351424087 /nfs/dbraw/zinc/42/40/87/351424087.db2.gz WLZMQKXEMUBGAG-DTWKUNHWSA-N 1 0 201.335 1.273 10 30 BDEERO N#C[C@@H]1OCCC[C@H]1NCc1ccccc1 ZINC000307139182 351494984 /nfs/dbraw/zinc/49/49/84/351494984.db2.gz ANVZJBBXWGHHJL-OLZOCXBDSA-N 1 0 216.284 1.847 10 30 BDEERO CCCCCCC[C@H]([NH2+]CCN(C)C)C(N)=O ZINC000105332801 168658611 /nfs/dbraw/zinc/65/86/11/168658611.db2.gz WTWDNPNFBCNKCU-LBPRGKRZSA-N 1 0 243.395 1.352 10 30 BDEERO CCS[C@@H]1CCC[C@@H]1NC(NC)=[NH+]C ZINC000307338646 352059673 /nfs/dbraw/zinc/05/96/73/352059673.db2.gz HJNGOUBLKJBPEN-DTWKUNHWSA-N 1 0 215.366 1.455 10 30 BDEERO C=CC(C)(C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638453930 352267000 /nfs/dbraw/zinc/26/70/00/352267000.db2.gz BXLNMFRZOAJMPO-SNVBAGLBSA-N 1 0 210.321 1.314 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC)C1 ZINC000638472068 352281521 /nfs/dbraw/zinc/28/15/21/352281521.db2.gz OFQKWJVHHCLGEE-MNOVXSKESA-N 1 0 210.321 1.538 10 30 BDEERO Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000230777881 352362882 /nfs/dbraw/zinc/36/28/82/352362882.db2.gz SXGPWFUZZAVGMJ-WCQYABFASA-N 1 0 232.331 1.635 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000034938509 187720295 /nfs/dbraw/zinc/72/02/95/187720295.db2.gz XOMSMIFIJWTHRZ-JTQLQIEISA-N 1 0 208.305 1.047 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCCCO ZINC000229125621 352591156 /nfs/dbraw/zinc/59/11/56/352591156.db2.gz FCJCTBAZOLXIEO-VXGBXAGGSA-N 1 0 210.321 1.821 10 30 BDEERO C=CC[C@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000083367784 187754490 /nfs/dbraw/zinc/75/44/90/187754490.db2.gz SATWRDIQCBZAPQ-NSHDSACASA-N 1 0 240.253 1.484 10 30 BDEERO CCc1ccc(C#CCN2CC[NH2+]CC2)cc1 ZINC000037547851 187805272 /nfs/dbraw/zinc/80/52/72/187805272.db2.gz DGGLZZOPEFNXPH-UHFFFAOYSA-N 1 0 228.339 1.506 10 30 BDEERO CC[C@]1(C(=O)C2=COCC2)CCC[NH2+]C1 ZINC000307676597 352756137 /nfs/dbraw/zinc/75/61/37/352756137.db2.gz HOKSEMLFCXOPHA-LBPRGKRZSA-N 1 0 209.289 1.640 10 30 BDEERO N#Cc1cccnc1N[C@@H](CC[NH3+])C(F)F ZINC000383431400 352979186 /nfs/dbraw/zinc/97/91/86/352979186.db2.gz CLDBOBXYDYCEHE-QMMMGPOBSA-N 1 0 226.230 1.348 10 30 BDEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336758100 353166050 /nfs/dbraw/zinc/16/60/50/353166050.db2.gz KMBFJRUBZASUJX-GARJFASQSA-N 1 0 210.321 1.455 10 30 BDEERO C#CCOc1ccc(Br)c(C[NH3+])c1 ZINC000128035081 353278436 /nfs/dbraw/zinc/27/84/36/353278436.db2.gz RXKQKESSMKXSBH-UHFFFAOYSA-N 1 0 240.100 1.920 10 30 BDEERO C=CCC(CC=C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000130453777 353351119 /nfs/dbraw/zinc/35/11/19/353351119.db2.gz XBJHDNJUSJNSBA-ZDUSSCGKSA-N 1 0 236.359 1.917 10 30 BDEERO Cc1cc(C#N)cc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383493814 353398084 /nfs/dbraw/zinc/39/80/84/353398084.db2.gz XKTCVAYNSNFYEZ-SECBINFHSA-N 1 0 240.257 1.656 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002683 353581675 /nfs/dbraw/zinc/58/16/75/353581675.db2.gz XGMCIQYJZZWQHF-AAEUAGOBSA-N 1 0 248.326 1.000 10 30 BDEERO N#CC1(C[N@H+]2CCC[C@H]2CCCO)CC1 ZINC000343317323 353659241 /nfs/dbraw/zinc/65/92/41/353659241.db2.gz UWTGWRBHOVCJSL-NSHDSACASA-N 1 0 208.305 1.527 10 30 BDEERO N#CC1(N2CCC[NH2+]CC2)CCCCCC1 ZINC000037940451 181029762 /nfs/dbraw/zinc/02/97/62/181029762.db2.gz WSGCVRFBZMPOGM-UHFFFAOYSA-N 1 0 221.348 1.898 10 30 BDEERO N#CCCN(C(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000038099474 181037053 /nfs/dbraw/zinc/03/70/53/181037053.db2.gz QNHFKYFJQNURFP-CYBMUJFWSA-N 1 0 243.310 1.591 10 30 BDEERO N#CCCN(Cc1ccco1)C(=O)CCC[NH3+] ZINC000037824438 181037665 /nfs/dbraw/zinc/03/76/65/181037665.db2.gz ZRHCPNGPCVIKPL-UHFFFAOYSA-N 1 0 235.287 1.261 10 30 BDEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000309581079 491057191 /nfs/dbraw/zinc/05/71/91/491057191.db2.gz QINCWQUABNEWNS-BXKDBHETSA-N 1 0 224.279 1.808 10 30 BDEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000054825375 181067262 /nfs/dbraw/zinc/06/72/62/181067262.db2.gz AUPAOICEMUUJJR-PWSUYJOCSA-N 1 0 208.305 1.837 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000054828280 181068529 /nfs/dbraw/zinc/06/85/29/181068529.db2.gz AAHAFJFZOZQVNT-OLZOCXBDSA-N 1 0 232.331 1.945 10 30 BDEERO N#C[C@H]1CCC[C@@H]1N1CC[C@H](N2CCOCC2)C1 ZINC000062980028 181068952 /nfs/dbraw/zinc/06/89/52/181068952.db2.gz WIXMJOUMYBEAGD-RDBSUJKOSA-N 1 0 249.358 1.085 10 30 BDEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000054826377 181069310 /nfs/dbraw/zinc/06/93/10/181069310.db2.gz WMQZDMIOHJLZNU-VXGBXAGGSA-N 1 0 218.304 1.555 10 30 BDEERO N#Cc1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000051888413 181110986 /nfs/dbraw/zinc/11/09/86/181110986.db2.gz PPOSEMSGFQJOQW-ZDUSSCGKSA-N 1 0 216.284 1.684 10 30 BDEERO N#Cc1ccc(CN2CC[NH2+]CC2)c(F)c1 ZINC000019263995 181104405 /nfs/dbraw/zinc/10/44/05/181104405.db2.gz JQQMUZFQIBZBPB-UHFFFAOYSA-N 1 0 219.263 1.103 10 30 BDEERO N#Cc1ccc([C@@H](O)C[NH2+]C2CC2)cc1 ZINC000037871928 181129903 /nfs/dbraw/zinc/12/99/03/181129903.db2.gz BFNIJLFJYRPCEJ-LBPRGKRZSA-N 1 0 202.257 1.344 10 30 BDEERO N#Cc1ccc2c(c1)[C@@H]([NH3+])[C@H](O)CCC2 ZINC000039941539 181132466 /nfs/dbraw/zinc/13/24/66/181132466.db2.gz BDNILGXQAQWVGW-VXGBXAGGSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000038094093 181145902 /nfs/dbraw/zinc/14/59/02/181145902.db2.gz OLPPKMCFXUDMCT-NSHDSACASA-N 1 0 216.284 1.684 10 30 BDEERO N#Cc1ccccc1N1CC[C@H](C[NH3+])C1 ZINC000050249615 181148268 /nfs/dbraw/zinc/14/82/68/181148268.db2.gz AJGDOGUYJDGLMC-SNVBAGLBSA-N 1 0 201.273 1.343 10 30 BDEERO N#Cc1ccccc1N[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC000063528154 181149101 /nfs/dbraw/zinc/14/91/01/181149101.db2.gz OPBOSOCRVDHYHG-GXTWGEPZSA-N 1 0 243.310 1.491 10 30 BDEERO N#Cc1cccnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918345 181153991 /nfs/dbraw/zinc/15/39/91/181153991.db2.gz SAXUHDAWJSAONO-NSHDSACASA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1cccnc1SC[C@@H]1CCC[NH2+]1 ZINC000095072068 181153739 /nfs/dbraw/zinc/15/37/39/181153739.db2.gz BUFUQRGSAWPNFZ-JTQLQIEISA-N 1 0 219.313 1.797 10 30 BDEERO N#Cc1ccnc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918710 181158337 /nfs/dbraw/zinc/15/83/37/181158337.db2.gz OWYCPQLKIQKSBU-LLVKDONJSA-N 1 0 231.299 1.722 10 30 BDEERO N#Cc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000061658842 181170570 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N#Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000097092459 371544111 /nfs/dbraw/zinc/54/41/11/371544111.db2.gz ZTQZTNUEHYDMGM-QWRGUYRKSA-N 1 0 229.283 1.624 10 30 BDEERO CC(=NNC(N)=[NH2+])c1ccc(Br)o1 ZINC000131868569 371700069 /nfs/dbraw/zinc/70/00/69/371700069.db2.gz LIDLFXZCBRIGNA-WCIBSUBMSA-N 1 0 245.080 1.249 10 30 BDEERO C#C[C@@H](NC)c1coc(Br)c1 ZINC000306534416 372032214 /nfs/dbraw/zinc/03/22/14/372032214.db2.gz IVBOBAREQYUJSJ-SSDOTTSWSA-N 1 0 214.062 1.936 10 30 BDEERO N#Cc1ccc(NCC[NH3+])cc1Br ZINC000228230187 372005708 /nfs/dbraw/zinc/00/57/08/372005708.db2.gz MGRFTONWMJVCLJ-UHFFFAOYSA-N 1 0 240.104 1.691 10 30 BDEERO CC1(C)C[N@H+](CC2(CS)CC2)C[C@@H]1O ZINC000306860675 372073583 /nfs/dbraw/zinc/07/35/83/372073583.db2.gz DVQXTWPAQGLDML-VIFPVBQESA-N 1 0 215.362 1.399 10 30 BDEERO C=C(Br)CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000069720239 373648068 /nfs/dbraw/zinc/64/80/68/373648068.db2.gz NWNAUCJCYHRDIE-APPZFPTMSA-N 1 0 233.153 1.564 10 30 BDEERO CCCN(CC)C(=O)c1ccccc1C#CC[NH3+] 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C[C@H](CCCC[NH3+])Nc1cc(C#N)ccn1 ZINC000336651965 384245017 /nfs/dbraw/zinc/24/50/17/384245017.db2.gz IILQRIGOOIKOJL-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300359401 384358373 /nfs/dbraw/zinc/35/83/73/384358373.db2.gz IUNNDRYMRNYTJX-SDDRHHMPSA-N 1 0 208.305 1.695 10 30 BDEERO C#CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252693212 533057281 /nfs/dbraw/zinc/05/72/81/533057281.db2.gz IDNLSZMKGIEZBL-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO C(#Cc1ccccc1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248886710 384407544 /nfs/dbraw/zinc/40/75/44/384407544.db2.gz RATWWYMDCQXPQO-INIZCTEOSA-N 1 0 240.350 1.818 10 30 BDEERO C[NH+](C)[C@H]1CCN(c2ncccc2C#N)C1 ZINC000070916250 384464660 /nfs/dbraw/zinc/46/46/60/384464660.db2.gz VSJAXVCJHRIIPK-NSHDSACASA-N 1 0 216.288 1.094 10 30 BDEERO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249950352 384529873 /nfs/dbraw/zinc/52/98/73/384529873.db2.gz VBVJCIGZRMUUNW-HBNTYKKESA-N 1 0 225.336 1.114 10 30 BDEERO C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000100248065 384628920 /nfs/dbraw/zinc/62/89/20/384628920.db2.gz VLJYMRXGXDSNOY-CKYFFXLPSA-N 1 0 242.388 1.282 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)cn1 ZINC000083550656 384705190 /nfs/dbraw/zinc/70/51/90/384705190.db2.gz WYQQDDHUZBJVIC-WCQYABFASA-N 1 0 242.326 1.626 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccc1C#N ZINC000083550680 384705277 /nfs/dbraw/zinc/70/52/77/384705277.db2.gz WVDAVORJHCZPSB-DGCLKSJQSA-N 1 0 242.326 1.626 10 30 BDEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000320639930 384779231 /nfs/dbraw/zinc/77/92/31/384779231.db2.gz DNZVQTJXCSRKSC-RKDXNWHRSA-N 1 0 204.277 1.491 10 30 BDEERO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000135481906 384828683 /nfs/dbraw/zinc/82/86/83/384828683.db2.gz QONPKIKPSFEDGF-JOYOIKCWSA-N 1 0 220.272 1.808 10 30 BDEERO N#CCCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105899223 384886150 /nfs/dbraw/zinc/88/61/50/384886150.db2.gz JYUBWXZEFHEMGS-GFCCVEGCSA-N 1 0 233.319 1.609 10 30 BDEERO C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCCO1 ZINC000183103062 385508635 /nfs/dbraw/zinc/50/86/35/385508635.db2.gz FSBRDYDSSFTYSC-SDDRHHMPSA-N 1 0 221.304 1.587 10 30 BDEERO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000309443637 385584214 /nfs/dbraw/zinc/58/42/14/385584214.db2.gz JFERJDAFLVGIOU-NWDGAFQWSA-N 1 0 224.348 1.847 10 30 BDEERO C#CC[N@@H+](C)[C@@H](C)Cc1ccc(N)cc1 ZINC000065734211 385629696 /nfs/dbraw/zinc/62/96/96/385629696.db2.gz XXFSWRABMGXENS-NSHDSACASA-N 1 0 202.301 1.765 10 30 in-vitro BDEERO C[NH+]1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000054824964 385665633 /nfs/dbraw/zinc/66/56/33/385665633.db2.gz QWVZBXKWRXAFFB-JQWIXIFHSA-N 1 0 207.321 1.362 10 30 BDEERO C#CC[C@H]([NH3+])c1ncncc1Br ZINC000307318015 385850731 /nfs/dbraw/zinc/85/07/31/385850731.db2.gz LOFKFNPCDTXQCW-ZETCQYMHSA-N 1 0 226.077 1.262 10 30 BDEERO Cc1cc(C#N)nc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000231942947 385901690 /nfs/dbraw/zinc/90/16/90/385901690.db2.gz QZIHFILBBBLOMJ-CABZTGNLSA-N 1 0 245.330 1.220 10 30 BDEERO N#Cc1cccc(COC[C@H]2CCC[NH2+]2)c1 ZINC000051816348 385941472 /nfs/dbraw/zinc/94/14/72/385941472.db2.gz QZHOABVRZVUPGL-CYBMUJFWSA-N 1 0 216.284 1.827 10 30 BDEERO C[C@H]([NH3+])CCNc1c(C#N)nnc2ccccc21 ZINC000085920861 386191332 /nfs/dbraw/zinc/19/13/32/386191332.db2.gz YGPMBYLZQSFLBB-VIFPVBQESA-N 1 0 241.298 1.651 10 30 BDEERO CC[C@H]([NH3+])CNc1c(C#N)nnc2ccccc21 ZINC000085920971 386202462 /nfs/dbraw/zinc/20/24/62/386202462.db2.gz ZTLPEFXSEDWANZ-VIFPVBQESA-N 1 0 241.298 1.651 10 30 BDEERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c(C#N)cn1 ZINC000398981932 386318243 /nfs/dbraw/zinc/31/82/43/386318243.db2.gz FMWRONXDUMAGEC-ZDUSSCGKSA-N 1 0 230.315 1.437 10 30 BDEERO C#CC[NH2+]CCN1CCN(C)c2ccccc21 ZINC000104270478 533179852 /nfs/dbraw/zinc/17/98/52/533179852.db2.gz XLLHIKZFQKCBDB-UHFFFAOYSA-N 1 0 229.327 1.166 10 30 BDEERO CC[N@@H+]1CCC[C@H](Nc2cc(C)ncc2C#N)C1 ZINC000399372989 386758327 /nfs/dbraw/zinc/75/83/27/386758327.db2.gz LDYQIVANGNMVOU-ZDUSSCGKSA-N 1 0 244.342 1.580 10 30 BDEERO N#CCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398689898 386950753 /nfs/dbraw/zinc/95/07/53/386950753.db2.gz BWOIWYXAJUISON-QJPTWQEYSA-N 1 0 208.305 1.383 10 30 BDEERO C=C(C)COCC[NH2+]Cc1cnn(C)c1C ZINC000160167275 387057502 /nfs/dbraw/zinc/05/75/02/387057502.db2.gz ZZWIHVAOVOVUQO-UHFFFAOYSA-N 1 0 223.320 1.411 10 30 BDEERO C=C(Br)C[NH2+][C@@H]1CC[C@@H]1O ZINC000575539080 387584260 /nfs/dbraw/zinc/58/42/60/387584260.db2.gz WEHMKTYQSQHHKQ-RQJHMYQMSA-N 1 0 206.083 1.008 10 30 BDEERO C=C(Cl)CN1C[C@@H](C)C([NH3+])[C@H](C)C1 ZINC000575549601 387646974 /nfs/dbraw/zinc/64/69/74/387646974.db2.gz LAXZLKNALNLJTB-HTQZYQBOSA-N 1 0 202.729 1.654 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC#N ZINC000083550932 388055092 /nfs/dbraw/zinc/05/50/92/388055092.db2.gz IJJUMDOTXUQQCW-CHWSQXEVSA-N 1 0 221.348 1.849 10 30 BDEERO C#CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515769 388165794 /nfs/dbraw/zinc/16/57/94/388165794.db2.gz FUBCLJREZIRGFO-LBPRGKRZSA-N 1 0 215.300 1.449 10 30 BDEERO Cc1ccnc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1C#N ZINC000227385807 388361224 /nfs/dbraw/zinc/36/12/24/388361224.db2.gz KTLYVXXYUJVXDR-YPMHNXCESA-N 1 0 244.342 1.648 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246179312 388439487 /nfs/dbraw/zinc/43/94/87/388439487.db2.gz QAVMZNPHXVXASU-LBPRGKRZSA-N 1 0 245.301 1.982 10 30 BDEERO N#Cc1cccnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000107813081 388607303 /nfs/dbraw/zinc/60/73/03/388607303.db2.gz HPAFFMXDISUDJB-CYBMUJFWSA-N 1 0 242.326 1.628 10 30 BDEERO N#Cc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250251250 388640200 /nfs/dbraw/zinc/64/02/00/388640200.db2.gz PPJQMLBGJVQRHA-LBPRGKRZSA-N 1 0 228.299 1.238 10 30 BDEERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)cc(C#N)n1 ZINC000308238275 388658557 /nfs/dbraw/zinc/65/85/57/388658557.db2.gz HRRILEBHCGVTDH-CYBMUJFWSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000308246501 388658596 /nfs/dbraw/zinc/65/85/96/388658596.db2.gz XSYZNBIAKIJSQA-CMPLNLGQSA-N 1 0 244.342 1.683 10 30 BDEERO C=C(C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000249132744 388710833 /nfs/dbraw/zinc/71/08/33/388710833.db2.gz FUMHQLFKTJBQJV-NWDGAFQWSA-N 1 0 239.363 1.590 10 30 BDEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000282466228 388815449 /nfs/dbraw/zinc/81/54/49/388815449.db2.gz UJEAGQBGCWKNKG-KWQFWETISA-N 1 0 249.339 1.376 10 30 BDEERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000284669369 388830617 /nfs/dbraw/zinc/83/06/17/388830617.db2.gz WZVDKDCVSQWQPS-UONOGXRCSA-N 1 0 246.310 1.140 10 30 BDEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)nn1 ZINC000301995209 132308578 /nfs/dbraw/zinc/30/85/78/132308578.db2.gz OFWWDOVXZGSMSE-ZYHUDNBSSA-N 1 0 243.314 1.021 10 30 BDEERO N#CCCCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000035650831 132338909 /nfs/dbraw/zinc/33/89/09/132338909.db2.gz KCWGFLIZTVZRHS-UHFFFAOYSA-N 1 0 245.326 1.779 10 30 BDEERO Cc1ccc(C#N)c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000051581286 132361646 /nfs/dbraw/zinc/36/16/46/132361646.db2.gz SSDBOFGGSITIIM-GFCCVEGCSA-N 1 0 215.300 1.794 10 30 BDEERO C[C@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000088125073 133550188 /nfs/dbraw/zinc/55/01/88/133550188.db2.gz YDTYIEPLWQCPAC-ZCFIWIBFSA-N 1 0 211.215 1.596 10 30 BDEERO N#C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000336450705 134147359 /nfs/dbraw/zinc/14/73/59/134147359.db2.gz GURNTVDTPSGKJP-NWDGAFQWSA-N 1 0 247.342 1.423 10 30 BDEERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CC(C)(C)C#N ZINC000336631231 134152463 /nfs/dbraw/zinc/15/24/63/134152463.db2.gz JJZDSQQXUXFXBY-QWRGUYRKSA-N 1 0 237.347 1.477 10 30 BDEERO COCCCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000123220308 134243299 /nfs/dbraw/zinc/24/32/99/134243299.db2.gz OEIBRRWIQBPSRO-SNVBAGLBSA-N 1 0 229.324 1.014 10 30 BDEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000171740575 134260573 /nfs/dbraw/zinc/26/05/73/134260573.db2.gz FLBMVGBOCYWAOH-JQWIXIFHSA-N 1 0 237.347 1.344 10 30 BDEERO Cc1noc(CC[NH2+]CC(C)(C)CCC#N)n1 ZINC000174353815 134280801 /nfs/dbraw/zinc/28/08/01/134280801.db2.gz GJKDCCJVUXTLSJ-UHFFFAOYSA-N 1 0 236.319 1.840 10 30 BDEERO C=CCC[C@H](O)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000177515909 134298738 /nfs/dbraw/zinc/29/87/38/134298738.db2.gz QZFNFLJJUPGBQB-AWEZNQCLSA-N 1 0 238.375 1.484 10 30 BDEERO CC1(C#N)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000227351315 134378715 /nfs/dbraw/zinc/37/87/15/134378715.db2.gz NPEXEUFQCREKBS-RYUDHWBXSA-N 1 0 222.332 1.916 10 30 BDEERO CC1(C#N)CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000227351306 134378956 /nfs/dbraw/zinc/37/89/56/134378956.db2.gz NPEXEUFQCREKBS-NEPJUHHUSA-N 1 0 222.332 1.916 10 30 BDEERO N#Cc1ccc(C[N@H+]2CC[C@@H](CCO)C2)c(F)c1 ZINC000227573431 134381767 /nfs/dbraw/zinc/38/17/67/134381767.db2.gz YNNKFHZDUHORTE-NSHDSACASA-N 1 0 248.301 1.902 10 30 BDEERO C[C@H]([NH3+])CCNc1nc2c(cc1C#N)CCC2 ZINC000063171444 134523646 /nfs/dbraw/zinc/52/36/46/134523646.db2.gz BESSCGCLIQUSOC-VIFPVBQESA-N 1 0 230.315 1.591 10 30 BDEERO CC#CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252895656 135116112 /nfs/dbraw/zinc/11/61/12/135116112.db2.gz ZEHCVNWQURHHJP-CHWSQXEVSA-N 1 0 206.333 1.568 10 30 BDEERO C[C@@H]1CCN(c2ccc(C#N)cn2)[C@H](C[NH3+])C1 ZINC000261541894 135181764 /nfs/dbraw/zinc/18/17/64/135181764.db2.gz MBCCGICFERGWME-PWSUYJOCSA-N 1 0 230.315 1.517 10 30 BDEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042237851 135219562 /nfs/dbraw/zinc/21/95/62/135219562.db2.gz UJLYIUBTOHYNRP-STQMWFEESA-N 1 0 244.338 1.784 10 30 BDEERO CC1(C)CN(c2ccc(C#N)nc2)CC[C@H]1[NH3+] ZINC000261546576 135238834 /nfs/dbraw/zinc/23/88/34/135238834.db2.gz HBCNJDQIJNMRIC-GFCCVEGCSA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(CCNC(=[NH2+])NC2CCCC2)on1 ZINC000262128006 135280762 /nfs/dbraw/zinc/28/07/62/135280762.db2.gz NJKSWMOURXRHAN-UHFFFAOYSA-N 1 0 236.319 1.372 10 30 BDEERO C[C@@H]1CC(CNC(=[NH2+])NC(C)(C)C)C[C@@H](C)O1 ZINC000262155497 135282423 /nfs/dbraw/zinc/28/24/23/135282423.db2.gz NMKDLQWQRSLCGQ-NXEZZACHSA-N 1 0 241.379 1.893 10 30 BDEERO CNC(NC1CC(C(F)(F)F)C1)=[NH+]C ZINC000262311328 135292569 /nfs/dbraw/zinc/29/25/69/135292569.db2.gz NXVZXVPBFDWZND-UHFFFAOYSA-N 1 0 209.215 1.122 10 30 BDEERO CC[C@@H](C)NC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262332756 135294093 /nfs/dbraw/zinc/29/40/93/135294093.db2.gz FRMMJUYMXPTHDP-SSDOTTSWSA-N 1 0 219.279 1.735 10 30 BDEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N(C)C ZINC000262423328 135296349 /nfs/dbraw/zinc/29/63/49/135296349.db2.gz BTOHFSOWQAKKJR-UHFFFAOYSA-N 1 0 244.342 1.863 10 30 BDEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)NC1CC1 ZINC000262366203 135296854 /nfs/dbraw/zinc/29/68/54/135296854.db2.gz KFFLYXZQJCELME-UHFFFAOYSA-N 1 0 229.287 1.130 10 30 BDEERO CC(C)NC(=[NH2+])NCC1(C(F)F)CC1 ZINC000262488218 135302542 /nfs/dbraw/zinc/30/25/42/135302542.db2.gz UABVYWIPLCXHSS-UHFFFAOYSA-N 1 0 205.252 1.344 10 30 BDEERO CC[NH+]=C(NCC(C)C)N[C@@H]1CC1(C)C ZINC000262599569 135307744 /nfs/dbraw/zinc/30/77/44/135307744.db2.gz YCKDMAHQMYJCAS-SNVBAGLBSA-N 1 0 211.353 1.996 10 30 BDEERO C[C@H](CNC1=[NH+]C[C@@H](C)N1)C(F)(F)F ZINC000262640960 135310423 /nfs/dbraw/zinc/31/04/23/135310423.db2.gz HUGWVPAGIVWJCE-PHDIDXHHSA-N 1 0 209.215 1.122 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC2C[C@@H](C)O[C@H](C)C2)N1 ZINC000262649595 135311448 /nfs/dbraw/zinc/31/14/48/135311448.db2.gz KBIPWCPGOHJLBF-OPRDCNLKSA-N 1 0 225.336 1.127 10 30 BDEERO C[NH+]=C(NCC1CCC1)NC[C@H]1CCCCO1 ZINC000262984743 135325422 /nfs/dbraw/zinc/32/54/22/135325422.db2.gz UQWRNPFRNABAAR-GFCCVEGCSA-N 1 0 239.363 1.521 10 30 BDEERO N#Cc1ccc(CNC(=[NH2+])NCC2CCC2)s1 ZINC000263024735 135327159 /nfs/dbraw/zinc/32/71/59/135327159.db2.gz AMMSTIGRQPHVMO-UHFFFAOYSA-N 1 0 248.355 1.824 10 30 BDEERO CN(C)C(=[NH+]Cc1ccc(C#N)s1)N(C)C ZINC000263030738 135328309 /nfs/dbraw/zinc/32/83/09/135328309.db2.gz BFFDHZOSBQEHPQ-UHFFFAOYSA-N 1 0 236.344 1.599 10 30 BDEERO C[C@@H]1C[NH+]=C(NCC[C@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000263107359 135333276 /nfs/dbraw/zinc/33/32/76/135333276.db2.gz KRKDOPRECAXUTE-WYUUTHIRSA-N 1 0 219.332 1.526 10 30 BDEERO CC[C@@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263160773 135336265 /nfs/dbraw/zinc/33/62/65/135336265.db2.gz OTVLGPUZUXBKAF-VQVTYTSYSA-N 1 0 205.252 1.343 10 30 BDEERO [NH2+]=C(NC[C@H]1CC12CC2)N1CCCCCC1 ZINC000263182213 135337718 /nfs/dbraw/zinc/33/77/18/135337718.db2.gz UJGMRBLRJQSSNN-LLVKDONJSA-N 1 0 221.348 1.977 10 30 BDEERO COC[C@H](C)NC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263283811 135344394 /nfs/dbraw/zinc/34/43/94/135344394.db2.gz SYWQIGFRNFJLLU-WDEREUQCSA-N 1 0 239.363 1.648 10 30 BDEERO Cn1cc([C@H]2CCC[N@@H+]2CCOCCC#N)cn1 ZINC000293030188 135377252 /nfs/dbraw/zinc/37/72/52/135377252.db2.gz IWWMBZZOBWKYAP-CYBMUJFWSA-N 1 0 248.330 1.487 10 30 BDEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC#N ZINC000118942996 135634224 /nfs/dbraw/zinc/63/42/24/135634224.db2.gz IOTXGUQQSYXSHM-LBPRGKRZSA-N 1 0 245.326 1.537 10 30 BDEERO C=C(Br)CN1CCC[C@@H]([NH3+])C1 ZINC000041030045 397941510 /nfs/dbraw/zinc/94/15/10/397941510.db2.gz BQBCHBZHBPHKHH-MRVPVSSYSA-N 1 0 219.126 1.318 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1nccnc1C#N ZINC000336644912 397948724 /nfs/dbraw/zinc/94/87/24/397948724.db2.gz CPSRLDCTPBMZGX-VIFPVBQESA-N 1 0 219.292 1.278 10 30 BDEERO C#CCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000271038825 166130022 /nfs/dbraw/zinc/13/00/22/166130022.db2.gz MPRSPZCSYIDPJO-ZDUSSCGKSA-N 1 0 217.316 1.970 10 30 BDEERO C#CC[N@@H+](C)[C@H]1CCc2ccc(O)cc21 ZINC000013492317 166161709 /nfs/dbraw/zinc/16/17/09/166161709.db2.gz AXIKLEVFYDZYKE-ZDUSSCGKSA-N 1 0 201.269 1.945 10 30 BDEERO C#CC[NH2+]C[C@@H](C)n1nc(C)c(Cl)c1C ZINC000053536207 166186994 /nfs/dbraw/zinc/18/69/94/166186994.db2.gz QUUQXHLPLMNPMV-MRVPVSSYSA-N 1 0 225.723 1.937 10 30 BDEERO C#CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000019875655 166190497 /nfs/dbraw/zinc/19/04/97/166190497.db2.gz XSBCBYDRFKHODU-JTQLQIEISA-N 1 0 219.284 1.988 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]([NH3+])CC)c1 ZINC000036871450 166222344 /nfs/dbraw/zinc/22/23/44/166222344.db2.gz NJSWRGMGGJRNTR-NSHDSACASA-N 1 0 202.257 1.344 10 30 BDEERO C#Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000019480281 166222769 /nfs/dbraw/zinc/22/27/69/166222769.db2.gz KIGIRWIEVRJNKG-GFCCVEGCSA-N 1 0 228.295 1.606 10 30 BDEERO C(#Cc1ccccc1)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000051814080 166226231 /nfs/dbraw/zinc/22/62/31/166226231.db2.gz FULQQMWKVAHCBL-MRXNPFEDSA-N 1 0 240.350 1.722 10 30 BDEERO C=CCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336773087 166301493 /nfs/dbraw/zinc/30/14/93/166301493.db2.gz YQNHBSBUYUXCJX-AXFHLTTASA-N 1 0 210.321 1.598 10 30 BDEERO C=CCN(CCc1ccco1)C(=O)C[NH2+]C ZINC000262783126 166343098 /nfs/dbraw/zinc/34/30/98/166343098.db2.gz PLFABJBLMWYHSO-UHFFFAOYSA-N 1 0 222.288 1.056 10 30 BDEERO C=CCN1c2ccc(OC)cc2N2CC[NH+]=C12 ZINC000005330258 166352829 /nfs/dbraw/zinc/35/28/29/166352829.db2.gz MTZAXHSZVZBNIY-UHFFFAOYSA-N 1 0 229.283 1.877 10 30 BDEERO C=CCN1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000052144950 166361281 /nfs/dbraw/zinc/36/12/81/166361281.db2.gz UKQYYIBGIIMZPR-CYBMUJFWSA-N 1 0 202.301 1.558 10 30 BDEERO CC(C)(C)C[C@H](C#N)N1CCC[NH2+]CC1 ZINC000061840151 166600153 /nfs/dbraw/zinc/60/01/53/166600153.db2.gz OIYXNZMKJAZYEC-LLVKDONJSA-N 1 0 209.337 1.610 10 30 BDEERO 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KDLYXGAOOHJONQ-ZETCQYMHSA-N 1 0 225.679 1.308 10 30 BDEERO C#C[C@H](CO)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757154032 582539396 /nfs/dbraw/zinc/53/93/96/582539396.db2.gz UPDXWHWCNRJFMS-LLVKDONJSA-N 1 0 223.703 1.732 10 30 BDEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)cn1 ZINC000063169588 634443331 /nfs/dbraw/zinc/44/33/31/634443331.db2.gz FBNSBICISFSFAP-GFCCVEGCSA-N 1 0 230.315 1.532 10 30 BDEERO C[NH2+][C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000234421201 631512233 /nfs/dbraw/zinc/51/22/33/631512233.db2.gz UJKSZISSBSRDHS-ZCFIWIBFSA-N 1 0 242.735 1.466 10 30 BDEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1OCCO1 ZINC000308884244 631716709 /nfs/dbraw/zinc/71/67/09/631716709.db2.gz RSVZKSZWMKOMLD-ZJUUUORDSA-N 1 0 210.277 1.031 10 30 BDEERO C[C@@H]1[C@H]([NH3+])CCN1c1nc(Cl)c(C#N)s1 ZINC000309035846 631807575 /nfs/dbraw/zinc/80/75/75/631807575.db2.gz FWOJRDONZFIQRO-PHDIDXHHSA-N 1 0 242.735 1.594 10 30 BDEERO C[C@H]([NH3+])CN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000310284932 632717713 /nfs/dbraw/zinc/71/77/13/632717713.db2.gz LWCKTYXKRBVROV-QMMMGPOBSA-N 1 0 234.259 1.250 10 30 BDEERO N#Cc1cc(N[C@H](C[NH3+])C2CCCCC2)ncn1 ZINC000310681101 632880612 /nfs/dbraw/zinc/88/06/12/632880612.db2.gz KXBAVTVXFSGJTB-GFCCVEGCSA-N 1 0 245.330 1.668 10 30 BDEERO N#Cc1cc(COC2C[NH2+]C2)ccc1F ZINC000236240816 632904707 /nfs/dbraw/zinc/90/47/07/632904707.db2.gz CJYKVKFAMNSZIF-UHFFFAOYSA-N 1 0 206.220 1.186 10 30 BDEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000310751902 632937337 /nfs/dbraw/zinc/93/73/37/632937337.db2.gz INOALECXKKLYDY-GZMMTYOYSA-N 1 0 246.270 1.392 10 30 BDEERO C=C(Br)CN1C[C@@H](C)C[C@H](O)C1 ZINC000307098463 643407628 /nfs/dbraw/zinc/40/76/28/643407628.db2.gz GXXKDIUQPTWWBL-CBAPKCEASA-N 1 0 234.137 1.598 10 30 BDEERO C#CCCCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000154225665 643997017 /nfs/dbraw/zinc/99/70/17/643997017.db2.gz WGVCPTLBONZEJE-GFCCVEGCSA-N 1 0 224.348 1.636 10 30 BDEERO CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[C@H]1C ZINC000080698925 644283514 /nfs/dbraw/zinc/28/35/14/644283514.db2.gz WMGFDTORZMANOJ-NXEZZACHSA-N 1 0 211.353 1.996 10 30 BDEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C#N)c1 ZINC000094460858 644718708 /nfs/dbraw/zinc/71/87/08/644718708.db2.gz YDZCABLZFIKAMF-SMDDNHRTSA-N 1 0 242.326 1.626 10 30 BDEERO Cc1cc(C#N)cc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000723669321 710730680 /nfs/dbraw/zinc/73/06/80/710730680.db2.gz HOQMHNWOXNXRKA-LLVKDONJSA-N 1 0 230.315 1.437 10 30 BDEERO Cc1cc(C#N)cc(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723786294 710731997 /nfs/dbraw/zinc/73/19/97/710731997.db2.gz QXCJLXSIDVKVIU-SKDRFNHKSA-N 1 0 230.315 1.529 10 30 BDEERO N#Cc1ccnc(N2CC[C@H](CC[NH3+])C2)c1 ZINC000723683039 711534062 /nfs/dbraw/zinc/53/40/62/711534062.db2.gz NUSHEZKWAREBCG-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000721871427 711793053 /nfs/dbraw/zinc/79/30/53/711793053.db2.gz JMAYFNYMTGJKIM-LDYMZIIASA-N 1 0 246.270 1.486 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000709917038 712232813 /nfs/dbraw/zinc/23/28/13/712232813.db2.gz VGCLBQAVKGKPSK-GXSJLCMTSA-N 1 0 221.329 1.967 10 30 BDEERO Cc1cc(C)c(C#N)c(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715068756 712505790 /nfs/dbraw/zinc/50/57/90/712505790.db2.gz YVRUPVSAHHIIDY-PHIMTYICSA-N 1 0 230.315 1.719 10 30 BDEERO Cc1cc(C#N)cc(NCC2CC([NH3+])C2)n1 ZINC000715086097 712507541 /nfs/dbraw/zinc/50/75/41/712507541.db2.gz QPJINNAJECGRSI-UHFFFAOYSA-N 1 0 216.288 1.411 10 30 BDEERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(C#N)c1 ZINC000716715348 712570711 /nfs/dbraw/zinc/57/07/11/712570711.db2.gz GVORSFHTUWPJGF-ALXWSUNGSA-N 1 0 243.310 1.473 10 30 BDEERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(C#N)cc1 ZINC000716714589 712570773 /nfs/dbraw/zinc/57/07/73/712570773.db2.gz CCKDTECSDLPCII-UHEGKEBESA-N 1 0 243.310 1.473 10 30 BDEERO CC1(C)CN(c2ccc(C#N)cn2)C[C@@H]1[NH3+] ZINC000720749441 712863883 /nfs/dbraw/zinc/86/38/83/712863883.db2.gz VBJCBIVNBQGHBP-JTQLQIEISA-N 1 0 216.288 1.127 10 30 BDEERO Cc1cc(N2C[C@@H]([NH3+])C(C)(C)C2)c(C#N)cn1 ZINC000720755477 712863896 /nfs/dbraw/zinc/86/38/96/712863896.db2.gz IHSUDEPKGMBTJO-GFCCVEGCSA-N 1 0 230.315 1.435 10 30 BDEERO C[NH2+]CCN(c1ccc(C#N)cn1)C(C)C ZINC000720789965 712865768 /nfs/dbraw/zinc/86/57/68/712865768.db2.gz BQVRFMFGXGNAHI-UHFFFAOYSA-N 1 0 218.304 1.387 10 30 BDEERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccnc(C#N)c1 ZINC000721099100 712890957 /nfs/dbraw/zinc/89/09/57/712890957.db2.gz WMONIGIXGWDNLN-GHMZBOCLSA-N 1 0 230.315 1.611 10 30 BDEERO CC[C@H]1[NH2+]CCC1C#CC(=O)OC(C)(C)C ZINC000685953745 538898576 /nfs/dbraw/zinc/89/85/76/538898576.db2.gz PLNAXGQTVSNCRI-GHMZBOCLSA-N 1 0 223.316 1.720 10 30 BDEERO C#CCC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961379 538908701 /nfs/dbraw/zinc/90/87/01/538908701.db2.gz HIRWYELEDXHVRC-ZDUSSCGKSA-N 1 0 230.311 1.038 10 30 BDEERO CC(C)(C)OC(=O)C#C[C@H]([NH3+])CC(F)F ZINC000685952802 538896624 /nfs/dbraw/zinc/89/66/24/538896624.db2.gz DCJKOPHWYMLXAZ-ZETCQYMHSA-N 1 0 219.231 1.314 10 30 BDEERO Cc1nc(N[C@H](C)C[NH3+])c(Cl)cc1C#N ZINC000380334012 343980644 /nfs/dbraw/zinc/98/06/44/343980644.db2.gz PIOYEEMTSBRBTR-ZCFIWIBFSA-N 1 0 224.695 1.674 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000308999120 136217108 /nfs/dbraw/zinc/21/71/08/136217108.db2.gz NLNOGLHYJHLOJK-GARJFASQSA-N 1 0 210.321 1.675 10 30 BDEERO Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(C#N)n1 ZINC000308268704 178122531 /nfs/dbraw/zinc/12/25/31/178122531.db2.gz CUTRWXWGROTUJA-HZMBPMFUSA-N 1 0 244.342 1.648 10 30 BDEERO Cc1ccc(C#N)c(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000105569350 178362845 /nfs/dbraw/zinc/36/28/45/178362845.db2.gz RIDOPSKBJJOKJX-LBPRGKRZSA-N 1 0 230.315 1.402 10 30 BDEERO Cc1ccc(C#N)c(OC[C@@H]2CCC[NH2+]2)c1 ZINC000051866416 178366003 /nfs/dbraw/zinc/36/60/03/178366003.db2.gz CRACSPMMLYQXSX-LBPRGKRZSA-N 1 0 216.284 1.998 10 30 BDEERO Cc1c([C@@H](C)[NH3+])nnn1-c1cc(C#N)ccc1C ZINC000050436681 178366560 /nfs/dbraw/zinc/36/65/60/178366560.db2.gz BSCPWMBTYWQQGZ-SECBINFHSA-N 1 0 241.298 1.776 10 30 BDEERO C=C(C)C[C@@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000130860494 398285390 /nfs/dbraw/zinc/28/53/90/398285390.db2.gz ZPVOGKMEOBHTMS-ZJUUUORDSA-N 1 0 217.334 1.247 10 30 BDEERO Cc1cc(C#N)cc(N(C)CCC[NH3+])n1 ZINC000157688572 342816738 /nfs/dbraw/zinc/81/67/38/342816738.db2.gz BTGMFKBYKPECJQ-UHFFFAOYSA-N 1 0 204.277 1.047 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000380132788 538985916 /nfs/dbraw/zinc/98/59/16/538985916.db2.gz TYXJCLJZHLBTJZ-SRVKXCTJSA-N 1 0 213.321 1.328 10 30 BDEERO CC[C@H]([NH3+])CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000234028872 343059112 /nfs/dbraw/zinc/05/91/12/343059112.db2.gz BHNDHGYGQHMGET-QMMMGPOBSA-N 1 0 235.247 1.011 10 30 BDEERO CCOCC[NH+]1[C@@H](C)CC(C=O)C[C@@H]1C ZINC000584883642 343086722 /nfs/dbraw/zinc/08/67/22/343086722.db2.gz XVGZFUDRTPXSPD-QWRGUYRKSA-N 1 0 213.321 1.711 10 30 BDEERO C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000339086762 136271380 /nfs/dbraw/zinc/27/13/80/136271380.db2.gz WVDLQJJPXYKUJT-GHMZBOCLSA-N 1 0 212.293 1.074 10 30 BDEERO C=CCN(C)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000126714820 343171230 /nfs/dbraw/zinc/17/12/30/343171230.db2.gz NJDDKXXYVUBBOT-AWEZNQCLSA-N 1 0 216.328 1.991 10 30 BDEERO COC(=O)[C@@H]1CC[N@H+](CCCC#N)C[C@H]1C ZINC000249150201 136281011 /nfs/dbraw/zinc/28/10/11/136281011.db2.gz XNNQRSXEXIWGIG-GHMZBOCLSA-N 1 0 224.304 1.421 10 30 BDEERO C#CCNC(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984516 166182913 /nfs/dbraw/zinc/18/29/13/166182913.db2.gz VMRYIQUNABMBBF-LLVKDONJSA-N 1 0 210.321 1.150 10 30 BDEERO C=CC[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885312 136363429 /nfs/dbraw/zinc/36/34/29/136363429.db2.gz CZACIBMKRCNUKC-ZDUSSCGKSA-N 1 0 234.347 1.793 10 30 BDEERO C[C@H](CNC1=[NH+]CCN1C)C(F)(F)F ZINC000262671339 136374622 /nfs/dbraw/zinc/37/46/22/136374622.db2.gz RDRYPOBXZJCGAS-ZCFIWIBFSA-N 1 0 209.215 1.076 10 30 BDEERO Cn1ccnc1CN[C@H]1CCCC[C@@H]1C#N ZINC000070853307 343514828 /nfs/dbraw/zinc/51/48/28/343514828.db2.gz AIRDFUZDSKQRIO-MNOVXSKESA-N 1 0 218.304 1.592 10 30 BDEERO C#CC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000037184920 166191769 /nfs/dbraw/zinc/19/17/69/166191769.db2.gz GSJSSIHNUHXAIM-LBPRGKRZSA-N 1 0 217.268 1.742 10 30 BDEERO CC(C)[C@H]([NH3+])COc1cccc(N)c1C#N ZINC000114234296 343633879 /nfs/dbraw/zinc/63/38/79/343633879.db2.gz SRCOUBLAHTUPKB-LLVKDONJSA-N 1 0 219.288 1.503 10 30 BDEERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000387625658 346968862 /nfs/dbraw/zinc/96/88/62/346968862.db2.gz DEMJVZNYBFLMAE-SECBINFHSA-N 1 0 248.286 1.876 10 30 BDEERO C=C(C)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000187898355 259370626 /nfs/dbraw/zinc/37/06/26/259370626.db2.gz FUMHQLFKTJBQJV-NEPJUHHUSA-N 1 0 239.363 1.590 10 30 BDEERO C=CCNc1cc(OCC[NH3+])nc(C2CC2)n1 ZINC000409429379 343805670 /nfs/dbraw/zinc/80/56/70/343805670.db2.gz KRWDMLADKJUGPR-UHFFFAOYSA-N 1 0 234.303 1.289 10 30 BDEERO N#C[C@H](c1cccc(Cl)c1)N1CC(C[NH3+])C1 ZINC000409441010 343854679 /nfs/dbraw/zinc/85/46/79/343854679.db2.gz NKZIIACHVJIDRY-GFCCVEGCSA-N 1 0 235.718 1.795 10 30 BDEERO C[NH2+]C1CN([C@@H](C#N)c2ccccc2Cl)C1 ZINC000409439705 343847868 /nfs/dbraw/zinc/84/78/68/343847868.db2.gz HXLYCNPCBZBYTB-LBPRGKRZSA-N 1 0 235.718 1.808 10 30 BDEERO N#Cc1cc2c(nc1NCC[NH2+]C1CC1)CCC2 ZINC000054267779 343884358 /nfs/dbraw/zinc/88/43/58/343884358.db2.gz UCEZIIXMMBGPNN-UHFFFAOYSA-N 1 0 242.326 1.606 10 30 BDEERO C#CCn1nc(-c2cccs2)cc1C[NH3+] ZINC000409443624 343862235 /nfs/dbraw/zinc/86/22/35/343862235.db2.gz QOOMHRCABMYPBO-UHFFFAOYSA-N 1 0 217.297 1.704 10 30 BDEERO C#CCn1nc(-c2ccccn2)cc1C[NH3+] ZINC000409443657 343862289 /nfs/dbraw/zinc/86/22/89/343862289.db2.gz QVTZFVJJVDVBOO-UHFFFAOYSA-N 1 0 212.256 1.037 10 30 BDEERO C=C(Br)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000307241246 343919517 /nfs/dbraw/zinc/91/95/17/343919517.db2.gz RDDKNSABZIPJKG-IUCAKERBSA-N 1 0 233.153 1.577 10 30 BDEERO C#CCOc1ccc(C[NH2+]CC)cc1OC ZINC000037704356 166198657 /nfs/dbraw/zinc/19/86/57/166198657.db2.gz YWKMPHZVWUFCJO-UHFFFAOYSA-N 1 0 219.284 1.817 10 30 BDEERO C=C(Br)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307421203 343934862 /nfs/dbraw/zinc/93/48/62/343934862.db2.gz NSFSDYGKPTWDPO-VHSXEESVSA-N 1 0 245.164 1.436 10 30 BDEERO C[C@]1(C(=O)C2=COCCC2)CCC[C@H]1[NH3+] ZINC000135434208 344275224 /nfs/dbraw/zinc/27/52/24/344275224.db2.gz FEKVELUJHAXKLQ-PWSUYJOCSA-N 1 0 209.289 1.767 10 30 BDEERO CC(C)C[C@H](C[NH3+])Nc1ccnc(C#N)c1 ZINC000084736989 344468736 /nfs/dbraw/zinc/46/87/36/344468736.db2.gz DRSAYNQWQRPXMO-GFCCVEGCSA-N 1 0 218.304 1.739 10 30 BDEERO C#CCOc1ccc(C[NH3+])cc1OCC ZINC000037699060 344522187 /nfs/dbraw/zinc/52/21/87/344522187.db2.gz SDHHZSVUIUSIOL-UHFFFAOYSA-N 1 0 205.257 1.556 10 30 BDEERO C[C@H](C#N)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235153745 344824335 /nfs/dbraw/zinc/82/43/35/344824335.db2.gz ZFVLCPHOKUAFTL-ZJUUUORDSA-N 1 0 241.335 1.649 10 30 BDEERO C#CC[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235425373 344909338 /nfs/dbraw/zinc/90/93/38/344909338.db2.gz RAOSRCKPIACXDW-JXUBOQSCSA-N 1 0 215.387 1.963 10 30 BDEERO N#Cc1c(C[NH3+])ccnc1OC(F)(F)F ZINC000238690643 344930076 /nfs/dbraw/zinc/93/00/76/344930076.db2.gz CCVUIMWIARTWFL-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO C=CC[C@@H]([NH3+])C(=O)Nc1nc(C)cs1 ZINC000128119626 344948358 /nfs/dbraw/zinc/94/83/58/344948358.db2.gz MHQFPRQPTQTIFX-SSDOTTSWSA-N 1 0 211.290 1.293 10 30 BDEERO C[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC000235671398 345007855 /nfs/dbraw/zinc/00/78/55/345007855.db2.gz RMKVWNNFVWTOOA-GWCFXTLKSA-N 1 0 215.300 1.337 10 30 BDEERO C#Cc1nc([C@H]2C[NH2+]CCO2)sc1C ZINC000159716505 345488754 /nfs/dbraw/zinc/48/87/54/345488754.db2.gz OUALYAXTFZQKDX-SECBINFHSA-N 1 0 208.286 1.094 10 30 BDEERO [NH3+]CC#Cc1cnc(C(F)(F)F)s1 ZINC000236230899 346213394 /nfs/dbraw/zinc/21/33/94/346213394.db2.gz CLYSPBHBDNBNJP-UHFFFAOYSA-N 1 0 206.192 1.472 10 30 BDEERO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854936 346462806 /nfs/dbraw/zinc/46/28/06/346462806.db2.gz CXKULUWQXOOPMI-VXGBXAGGSA-N 1 0 240.347 1.130 10 30 BDEERO C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@H](C)[NH3+] ZINC000381846218 346574623 /nfs/dbraw/zinc/57/46/23/346574623.db2.gz YXDWTUYWXNFYOF-DTWKUNHWSA-N 1 0 241.298 1.649 10 30 BDEERO C[C@@H]([NH3+])[C@@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000381846225 346574730 /nfs/dbraw/zinc/57/47/30/346574730.db2.gz YXDWTUYWXNFYOF-RKDXNWHRSA-N 1 0 241.298 1.649 10 30 BDEERO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)OC ZINC000300383190 346575661 /nfs/dbraw/zinc/57/56/61/346575661.db2.gz WXWIDIJSLDOYPC-GRYCIOLGSA-N 1 0 226.320 1.320 10 30 BDEERO C=CCCC[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000237443958 166246716 /nfs/dbraw/zinc/24/67/16/166246716.db2.gz VCCSOBKOJHWSKC-LLVKDONJSA-N 1 0 224.348 1.847 10 30 BDEERO c1ccc([C@@H]2CC[N@@H+](C[C@H]3CO3)C2)cc1 ZINC000250796339 362822129 /nfs/dbraw/zinc/82/21/29/362822129.db2.gz BIHCBMOLOMBQJU-OLZOCXBDSA-N 1 0 203.285 1.875 10 30 BDEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)nc1 ZINC000593233886 347873030 /nfs/dbraw/zinc/87/30/30/347873030.db2.gz ZNYRZXYMTYBIIV-UHFFFAOYSA-N 1 0 230.315 1.177 10 30 BDEERO CN1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)CC1=O ZINC000594981908 348164801 /nfs/dbraw/zinc/16/48/01/348164801.db2.gz CASVXMZBFQIKGI-CYBMUJFWSA-N 1 0 243.310 1.126 10 30 BDEERO C=CCCSCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000595257323 348204615 /nfs/dbraw/zinc/20/46/15/348204615.db2.gz UFFMHGXYYCYNCM-WDEREUQCSA-N 1 0 242.388 1.539 10 30 BDEERO Cc1ccc(C#N)c(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383336269 348326343 /nfs/dbraw/zinc/32/63/43/348326343.db2.gz WPYPKSLBSTYHCW-SECBINFHSA-N 1 0 240.257 1.656 10 30 BDEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)cn1 ZINC000596025957 348425133 /nfs/dbraw/zinc/42/51/33/348425133.db2.gz AZWRJEOHIJJSDA-UHFFFAOYSA-N 1 0 214.272 1.117 10 30 BDEERO CC(C)[C@H]([NH3+])CCNc1cccnc1C#N ZINC000596029884 348425868 /nfs/dbraw/zinc/42/58/68/348425868.db2.gz CWYCSLWBYKUJRU-SNVBAGLBSA-N 1 0 218.304 1.739 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000596031157 348426711 /nfs/dbraw/zinc/42/67/11/348426711.db2.gz AODLRPMVZYMKKN-SNVBAGLBSA-N 1 0 240.310 1.548 10 30 BDEERO C[NH2+]C[C@@H](C)Nc1cc(C#N)cc(C)n1 ZINC000596031147 348426731 /nfs/dbraw/zinc/42/67/31/348426731.db2.gz ADETZEQHPQYTMN-SECBINFHSA-N 1 0 204.277 1.282 10 30 BDEERO C[NH2+]C[C@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000596032145 348427260 /nfs/dbraw/zinc/42/72/60/348427260.db2.gz HISBNRUARLKSEB-ZETCQYMHSA-N 1 0 238.722 1.935 10 30 BDEERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CO1 ZINC000597083257 348659311 /nfs/dbraw/zinc/65/93/11/348659311.db2.gz QRPBTHHITMTFTE-KXNHARMFSA-N 1 0 208.305 1.836 10 30 BDEERO CCC[N@@H+]1CCc2nc(N)c(C#N)cc2C1 ZINC000725246605 538009486 /nfs/dbraw/zinc/00/94/86/538009486.db2.gz ZBCUOTLDQGFTSG-UHFFFAOYSA-N 1 0 216.288 1.304 10 30 BDEERO CC#CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000119557571 348719027 /nfs/dbraw/zinc/71/90/27/348719027.db2.gz BZRRWYXAJFORPP-GFCCVEGCSA-N 1 0 218.304 1.013 10 30 BDEERO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000308860180 348908713 /nfs/dbraw/zinc/90/87/13/348908713.db2.gz AXYCIGHXBMCDEZ-WYUUTHIRSA-N 1 0 208.305 1.572 10 30 BDEERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(C#N)c1 ZINC000599081516 349096100 /nfs/dbraw/zinc/09/61/00/349096100.db2.gz NZWBXPLLILLBKP-GDLCADMTSA-N 1 0 246.310 1.359 10 30 BDEERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(C#N)c1 ZINC000599081517 349096196 /nfs/dbraw/zinc/09/61/96/349096196.db2.gz NZWBXPLLILLBKP-LEWSCRJBSA-N 1 0 246.310 1.359 10 30 BDEERO N#Cc1ccc(OC(F)(F)F)cc1C[NH3+] ZINC000616576435 349101583 /nfs/dbraw/zinc/10/15/83/349101583.db2.gz TXCQVQFLADUKDE-UHFFFAOYSA-N 1 0 216.162 1.916 10 30 BDEERO N#CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616572388 349066006 /nfs/dbraw/zinc/06/60/06/349066006.db2.gz RZKUWGJZVITKLP-SNVBAGLBSA-N 1 0 229.283 1.379 10 30 BDEERO N#Cc1ccc(OC2CCC([NH3+])CC2)nc1 ZINC000055143586 191000186 /nfs/dbraw/zinc/00/01/86/191000186.db2.gz YPULTNFCCDTPKQ-UHFFFAOYSA-N 1 0 217.272 1.602 10 30 BDEERO N#C[C@H](c1ccc(F)cc1)N1CC([NH3+])C1 ZINC000409441024 350137014 /nfs/dbraw/zinc/13/70/14/350137014.db2.gz NNRRNGTZPXJTNJ-LLVKDONJSA-N 1 0 205.236 1.033 10 30 BDEERO CC(C)(C)[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000324498771 350301911 /nfs/dbraw/zinc/30/19/11/350301911.db2.gz NJXVDVKHSDVFMF-SNVBAGLBSA-N 1 0 210.321 1.677 10 30 BDEERO N#Cc1ccc([C@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616597191 350647602 /nfs/dbraw/zinc/64/76/02/350647602.db2.gz BJSMMKWYNSDNTO-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO N#Cc1ccc([C@@H]2CCOCC[N@H+]2CCO)cc1 ZINC000616597973 350654194 /nfs/dbraw/zinc/65/41/94/350654194.db2.gz LJBCCSWOVMIPEO-AWEZNQCLSA-N 1 0 246.310 1.314 10 30 BDEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC#N ZINC000245413449 350818874 /nfs/dbraw/zinc/81/88/74/350818874.db2.gz BKNMEJJJVQWHAO-OLZOCXBDSA-N 1 0 221.348 1.849 10 30 BDEERO CC[C@@](C)([NH3+])C#Cc1cnc(OC)s1 ZINC000306682279 350837909 /nfs/dbraw/zinc/83/79/09/350837909.db2.gz QTHNSSCKMDGFMK-SNVBAGLBSA-N 1 0 210.302 1.631 10 30 BDEERO C[C@H](CS)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000306734558 350904544 /nfs/dbraw/zinc/90/45/44/350904544.db2.gz UVCVUHLBHKNYJK-QWRGUYRKSA-N 1 0 215.362 1.807 10 30 BDEERO COc1nc(C#C[C@H]([NH3+])C(C)C)cs1 ZINC000306791542 351040517 /nfs/dbraw/zinc/04/05/17/351040517.db2.gz YBVOTUGNOSQALP-VIFPVBQESA-N 1 0 210.302 1.487 10 30 BDEERO CN/C(=[NH+]/C)N1CCC[C@@H](SC)C1 ZINC000306798735 351054499 /nfs/dbraw/zinc/05/44/99/351054499.db2.gz DALCXSHRGMMBKJ-MRVPVSSYSA-N 1 0 201.339 1.019 10 30 BDEERO CC#CCNC(=[NH2+])NCc1ccccc1 ZINC000306803134 351057776 /nfs/dbraw/zinc/05/77/76/351057776.db2.gz VJCGLNXOQNDOSB-UHFFFAOYSA-N 1 0 201.273 1.324 10 30 BDEERO C[N@@H+]1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616655665 351200532 /nfs/dbraw/zinc/20/05/32/351200532.db2.gz KKTOPCCZJSBYAG-CYBMUJFWSA-N 1 0 216.284 1.951 10 30 BDEERO N#Cc1ccccc1[C@H]1CC[N@H+](CCO)CCO1 ZINC000616666299 351225930 /nfs/dbraw/zinc/22/59/30/351225930.db2.gz NCFUKCDFDJSWRZ-CQSZACIVSA-N 1 0 246.310 1.314 10 30 BDEERO CCCCCCC[C@@H]([NH2+]CCN(C)C)C(N)=O ZINC000105332805 168656070 /nfs/dbraw/zinc/65/60/70/168656070.db2.gz WTWDNPNFBCNKCU-GFCCVEGCSA-N 1 0 243.395 1.352 10 30 BDEERO CC[N@@H+]1CC[C@H](NCc2nc(C#N)cs2)C1 ZINC000389475816 352129520 /nfs/dbraw/zinc/12/95/20/352129520.db2.gz WDFVKYSXXTWHNL-VIFPVBQESA-N 1 0 236.344 1.199 10 30 BDEERO C=CCN(CC[NH3+])Cc1ccccc1C ZINC000032010392 166342059 /nfs/dbraw/zinc/34/20/59/166342059.db2.gz WCKZQENFPFDISH-UHFFFAOYSA-N 1 0 204.317 1.942 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000638471781 352280186 /nfs/dbraw/zinc/28/01/86/352280186.db2.gz KYMCSYYLGWUQSO-UPJWGTAASA-N 1 0 236.359 1.929 10 30 BDEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000638471270 352281752 /nfs/dbraw/zinc/28/17/52/352281752.db2.gz ACCASADAQGWTFM-GRYCIOLGSA-N 1 0 222.332 1.538 10 30 BDEERO C=CC[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000638471321 352281830 /nfs/dbraw/zinc/28/18/30/352281830.db2.gz CBRQIACCQYOJOF-RYUDHWBXSA-N 1 0 224.348 1.784 10 30 BDEERO C[C@H](CCC#N)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000411397810 191180798 /nfs/dbraw/zinc/18/07/98/191180798.db2.gz ZWUIYYZJDVSOQX-OLZOCXBDSA-N 1 0 221.348 1.849 10 30 BDEERO C=CC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000032100003 187720686 /nfs/dbraw/zinc/72/06/86/187720686.db2.gz VTAYJNCSWVCVIG-SNVBAGLBSA-N 1 0 241.718 1.855 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCCCO ZINC000229125616 352591343 /nfs/dbraw/zinc/59/13/43/352591343.db2.gz FCJCTBAZOLXIEO-NWDGAFQWSA-N 1 0 210.321 1.821 10 30 BDEERO CC(C)(C)OC(=O)[C@]1(C#N)CC12CC[NH2+]CC2 ZINC000725273180 538104440 /nfs/dbraw/zinc/10/44/40/538104440.db2.gz WSGTYSKVMVCNSZ-CYBMUJFWSA-N 1 0 236.315 1.612 10 30 BDEERO Brc1cnn(N=C2CCOCC2)c1 ZINC000306490751 353019939 /nfs/dbraw/zinc/01/99/39/353019939.db2.gz NNPCPWJOSUUQAK-UHFFFAOYSA-N 1 0 244.092 1.660 10 30 BDEERO O=CCC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000307702885 353021660 /nfs/dbraw/zinc/02/16/60/353021660.db2.gz UWFZAUQWMGNDHY-AWEZNQCLSA-N 1 0 233.311 1.603 10 30 BDEERO CC1(CNc2ccncc2C#N)CC[NH2+]CC1 ZINC000398987572 353417681 /nfs/dbraw/zinc/41/76/81/353417681.db2.gz ITPAYWJZKHTAGP-UHFFFAOYSA-N 1 0 230.315 1.177 10 30 BDEERO C[C@H](Nc1ccncc1C#N)[C@H]1CCC[NH2+]C1 ZINC000399061813 353762638 /nfs/dbraw/zinc/76/26/38/353762638.db2.gz ZCGQLXLUVNRHPS-QWRGUYRKSA-N 1 0 230.315 1.175 10 30 BDEERO N#CC1(Nc2ccc(F)cc2)CC[NH2+]CC1 ZINC000040695137 181030673 /nfs/dbraw/zinc/03/06/73/181030673.db2.gz DQROBDYXGWYFRB-UHFFFAOYSA-N 1 0 219.263 1.883 10 30 BDEERO N#CCCCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565461 181036438 /nfs/dbraw/zinc/03/64/38/181036438.db2.gz LUFITWIPTOUPHF-NEPJUHHUSA-N 1 0 207.321 1.507 10 30 BDEERO N#CCCCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565460 181036557 /nfs/dbraw/zinc/03/65/57/181036557.db2.gz LUFITWIPTOUPHF-RYUDHWBXSA-N 1 0 207.321 1.507 10 30 BDEERO N#CCCN(C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000019833558 181037081 /nfs/dbraw/zinc/03/70/81/181037081.db2.gz LLEKARQKOGNYEB-ZDUSSCGKSA-N 1 0 243.310 1.685 10 30 BDEERO N#CCCN(Cc1cccnc1)C(=O)CCC[NH3+] ZINC000019814253 181037668 /nfs/dbraw/zinc/03/76/68/181037668.db2.gz CPKBHQJMABFDHF-UHFFFAOYSA-N 1 0 246.314 1.063 10 30 BDEERO N#CCc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062113852 181048698 /nfs/dbraw/zinc/04/86/98/181048698.db2.gz FKBGIUJXCFWCKO-NSHDSACASA-N 1 0 229.283 1.301 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1(CO)CCCC1 ZINC000054829832 181059915 /nfs/dbraw/zinc/05/99/15/181059915.db2.gz BRDZCTZQOGVPHG-QWRGUYRKSA-N 1 0 208.305 1.573 10 30 BDEERO N#Cc1c(Cl)cccc1N[C@@H]1C[C@@H]1[NH3+] ZINC000052905663 181074215 /nfs/dbraw/zinc/07/42/15/181074215.db2.gz YYPHIWZTLIIZGZ-WCBMZHEXSA-N 1 0 207.664 1.723 10 30 BDEERO N#C[C@H]1CCCC[C@H]1NCC[NH+]1CCCC1 ZINC000054830130 181069313 /nfs/dbraw/zinc/06/93/13/181069313.db2.gz CYBQMYKIAADNHJ-CHWSQXEVSA-N 1 0 221.348 1.754 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]C1(CO)CCCC1 ZINC000054829823 181069751 /nfs/dbraw/zinc/06/97/51/181069751.db2.gz BRDZCTZQOGVPHG-GHMZBOCLSA-N 1 0 208.305 1.573 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000054825557 181070027 /nfs/dbraw/zinc/07/00/27/181070027.db2.gz JCSXOAQKYAKYJA-CHWSQXEVSA-N 1 0 215.300 1.906 10 30 BDEERO N#Cc1c(F)cccc1OC1CC[NH2+]CC1 ZINC000051865605 181077635 /nfs/dbraw/zinc/07/76/35/181077635.db2.gz WUTBRSDWGQAORN-UHFFFAOYSA-N 1 0 220.247 1.828 10 30 BDEERO N#Cc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC000051868384 181077708 /nfs/dbraw/zinc/07/77/08/181077708.db2.gz FOMVLCLPALPZER-MRVPVSSYSA-N 1 0 206.220 1.438 10 30 BDEERO N#Cc1cc(N)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564695 181089291 /nfs/dbraw/zinc/08/92/91/181089291.db2.gz CWWYMSNDTOLBDU-UONOGXRCSA-N 1 0 242.326 1.789 10 30 BDEERO N#Cc1cc(N[C@@H]2CCC[NH2+]C2)ccc1F ZINC000051636233 181091925 /nfs/dbraw/zinc/09/19/25/181091925.db2.gz MTEYYJCLQZUNAA-LLVKDONJSA-N 1 0 219.263 1.861 10 30 BDEERO N#Cc1cc2c(nc1NCCC[NH3+])CCC2 ZINC000043404968 181093111 /nfs/dbraw/zinc/09/31/11/181093111.db2.gz JWWDCBQDPSBWCY-UHFFFAOYSA-N 1 0 216.288 1.203 10 30 BDEERO N#Cc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000083354761 181108703 /nfs/dbraw/zinc/10/87/03/181108703.db2.gz STOSRWJNGGVQJF-UHFFFAOYSA-N 1 0 226.283 1.614 10 30 BDEERO N#Cc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000037748526 181107180 /nfs/dbraw/zinc/10/71/80/181107180.db2.gz SIXRUYVQASMDGE-CYBMUJFWSA-N 1 0 243.310 1.317 10 30 BDEERO N#Cc1ccc(Cl)cc1NC(=O)CCC[NH3+] ZINC000037015416 181111745 /nfs/dbraw/zinc/11/17/45/181111745.db2.gz SNGLCOWDEIYLTQ-UHFFFAOYSA-N 1 0 237.690 1.889 10 30 BDEERO N#Cc1ccc(Cl)cc1N[C@H]1C[C@H]1[NH3+] ZINC000062785728 181112092 /nfs/dbraw/zinc/11/20/92/181112092.db2.gz QVIBBWIVCSYHAD-SCZZXKLOSA-N 1 0 207.664 1.723 10 30 BDEERO N#Cc1ccc(OC[C@@H]2CCC[NH2+]2)cc1 ZINC000051865793 181128843 /nfs/dbraw/zinc/12/88/43/181128843.db2.gz XHPOCLVGTXTWGL-NSHDSACASA-N 1 0 202.257 1.689 10 30 BDEERO N#Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](O)CCC2 ZINC000039941540 181132740 /nfs/dbraw/zinc/13/27/40/181132740.db2.gz BDNILGXQAQWVGW-RYUDHWBXSA-N 1 0 202.257 1.255 10 30 BDEERO N#Cc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000035598692 181130122 /nfs/dbraw/zinc/13/01/22/181130122.db2.gz BIFKIHMFPCGGMO-GFCCVEGCSA-N 1 0 202.257 1.609 10 30 BDEERO N#Cc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000043220271 181154065 /nfs/dbraw/zinc/15/40/65/181154065.db2.gz ZROYMJIPNXUCPB-JTQLQIEISA-N 1 0 217.272 1.332 10 30 BDEERO N#Cc1cccnc1SC1CC[NH2+]CC1 ZINC000095072065 181154298 /nfs/dbraw/zinc/15/42/98/181154298.db2.gz RUOJBDVXKUOMHU-UHFFFAOYSA-N 1 0 219.313 1.797 10 30 BDEERO N#Cc1cccnc1OC[C@@H]1CCC[NH2+]1 ZINC000051866287 181153783 /nfs/dbraw/zinc/15/37/83/181153783.db2.gz FOADIJDCMURCON-JTQLQIEISA-N 1 0 203.245 1.084 10 30 BDEERO N#Cc1ccsc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042171461 181160709 /nfs/dbraw/zinc/16/07/09/181160709.db2.gz AQHUZGSQSIVPQL-VIFPVBQESA-N 1 0 235.312 1.700 10 30 BDEERO N#Cc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000061658841 181170513 /nfs/dbraw/zinc/17/05/13/181170513.db2.gz QDERDFGIVXTGOV-YPMHNXCESA-N 1 0 231.299 1.346 10 30 BDEERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000134242209 355067997 /nfs/dbraw/zinc/06/79/97/355067997.db2.gz GBZSLFHWTLGGQI-KWQFWETISA-N 1 0 222.313 1.887 10 30 BDEERO N#Cc1nccnc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000054378630 181172768 /nfs/dbraw/zinc/17/27/68/181172768.db2.gz GJXYPKVAJAJLST-CMPLNLGQSA-N 1 0 243.314 1.069 10 30 BDEERO [NH2+]=C(CS)N[C@@H]1CCc2ccccc21 ZINC000147266842 181183991 /nfs/dbraw/zinc/18/39/91/181183991.db2.gz KBPBUOZOBDKBHF-SNVBAGLBSA-N 1 0 206.314 1.961 10 30 BDEERO C=C(Br)CN1CC[NH2+]C(C)(C)C1 ZINC000168387120 355720390 /nfs/dbraw/zinc/72/03/90/355720390.db2.gz RVONAPZOHLCIGU-UHFFFAOYSA-N 1 0 233.153 1.579 10 30 BDEERO C=C(Br)CN1C[C@H](C)[NH2+]C[C@H]1CC ZINC000168392664 355768544 /nfs/dbraw/zinc/76/85/44/355768544.db2.gz IEZTYRJONJUCSA-VHSXEESVSA-N 1 0 247.180 1.967 10 30 BDEERO C[C@H]1CC[C@H](O)C[N@@H+]1CC1(CC#N)CC1 ZINC000399315328 355929983 /nfs/dbraw/zinc/92/99/83/355929983.db2.gz FNEDTKDSFCJGOL-QWRGUYRKSA-N 1 0 208.305 1.525 10 30 BDEERO N#Cc1ccc(NCC[NH2+]C2CC2)cn1 ZINC000122671718 363487542 /nfs/dbraw/zinc/48/75/42/363487542.db2.gz QJVCHYWHYDBSEA-UHFFFAOYSA-N 1 0 202.261 1.117 10 30 BDEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)nc1 ZINC000129916056 357041696 /nfs/dbraw/zinc/04/16/96/357041696.db2.gz PCABURMITQGSPV-CYBMUJFWSA-N 1 0 232.331 1.763 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccnc1C#N ZINC000130067794 357170724 /nfs/dbraw/zinc/17/07/24/357170724.db2.gz PAWRXGMNVNHJBJ-GFCCVEGCSA-N 1 0 244.342 1.874 10 30 BDEERO N#Cc1ncccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582895535 357424151 /nfs/dbraw/zinc/42/41/51/357424151.db2.gz AOUSHRGDXYZNJB-CQSZACIVSA-N 1 0 242.326 1.533 10 30 BDEERO COCC#CC[NH2+]CCOc1ccccc1OC ZINC000584624534 358292443 /nfs/dbraw/zinc/29/24/43/358292443.db2.gz RUWZCJXAZCNFLZ-UHFFFAOYSA-N 1 0 249.310 1.313 10 30 BDEERO CCC[C@H](C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1C#N ZINC000584629496 358298423 /nfs/dbraw/zinc/29/84/23/358298423.db2.gz VRDMTSHVLJVMJQ-SDDRHHMPSA-N 1 0 237.347 1.655 10 30 BDEERO C#C[C@@]1(OC)CC[N@H+](Cc2ccccc2)C1 ZINC000584648329 358302781 /nfs/dbraw/zinc/30/27/81/358302781.db2.gz FSHKUVZJVKYAEP-CQSZACIVSA-N 1 0 215.296 1.911 10 30 BDEERO CC(C)[NH2+]CC/N=C/c1cc(F)ccc1O ZINC000584635898 358319982 /nfs/dbraw/zinc/31/99/82/358319982.db2.gz NNKCZDGGKIEDPF-RIYZIHGNSA-N 1 0 224.279 1.948 10 30 BDEERO N#C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC000584636425 358321099 /nfs/dbraw/zinc/32/10/99/358321099.db2.gz DMDSRHXRNOWSTL-KBPBESRZSA-N 1 0 230.311 1.435 10 30 BDEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000392918144 259480037 /nfs/dbraw/zinc/48/00/37/259480037.db2.gz WQABWQRMGIDULR-GHMZBOCLSA-N 1 0 237.347 1.573 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000136281534 358871268 /nfs/dbraw/zinc/87/12/68/358871268.db2.gz SNCDVQCSCRGFSZ-DMDPSCGWSA-N 1 0 237.347 1.335 10 30 BDEERO CC[C@](C)(C#N)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000136281616 358871704 /nfs/dbraw/zinc/87/17/04/358871704.db2.gz SNCDVQCSCRGFSZ-NQBHXWOUSA-N 1 0 237.347 1.335 10 30 BDEERO CN1CCO[C@@H](C[N@H+](C)CCC(C)(C)C#N)C1 ZINC000611462538 359373299 /nfs/dbraw/zinc/37/32/99/359373299.db2.gz PUJVNEBBAJVTOI-LBPRGKRZSA-N 1 0 239.363 1.189 10 30 BDEERO C=C(C)[C@@H]([NH3+])c1c(Br)nnn1C ZINC000306258280 359474923 /nfs/dbraw/zinc/47/49/23/359474923.db2.gz ZYCNTDZZSXLOHT-RXMQYKEDSA-N 1 0 231.097 1.154 10 30 BDEERO CN/C(=[NH+]/C)N(C)C1CCSCC1 ZINC000403610358 359603780 /nfs/dbraw/zinc/60/37/80/359603780.db2.gz KBXHOTMXIRKEHN-UHFFFAOYSA-N 1 0 201.339 1.019 10 30 BDEERO C=C(Br)CN1CC[N@@H+](C)CC[C@@H]1C ZINC000306363171 359699018 /nfs/dbraw/zinc/69/90/18/359699018.db2.gz WRMYJLOYLRAPAF-JTQLQIEISA-N 1 0 247.180 1.921 10 30 BDEERO N#Cc1ccc(OCC[NH3+])c(Br)c1 ZINC000169249531 359909038 /nfs/dbraw/zinc/90/90/38/359909038.db2.gz UWKAGMRTQQJXEK-UHFFFAOYSA-N 1 0 241.088 1.658 10 30 BDEERO C=C(C)[C@H](CO)[NH2+][C@@H](CO)c1ccccc1 ZINC000309528501 491150018 /nfs/dbraw/zinc/15/00/18/491150018.db2.gz BLNPIJHNOORYOM-STQMWFEESA-N 1 0 221.300 1.247 10 30 BDEERO COCC#CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000309655385 491153769 /nfs/dbraw/zinc/15/37/69/491153769.db2.gz PLLARUFHIZBAOM-SNVBAGLBSA-N 1 0 222.263 1.521 10 30 BDEERO N#Cc1cc(C[NH3+])cc(OC(F)(F)F)n1 ZINC000238675502 361176607 /nfs/dbraw/zinc/17/66/07/361176607.db2.gz LISHOXGGFLLHKM-UHFFFAOYSA-N 1 0 217.150 1.311 10 30 BDEERO CC(C)COCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000158896336 361213344 /nfs/dbraw/zinc/21/33/44/361213344.db2.gz PYCXQFFZGUDZFT-RYUDHWBXSA-N 1 0 210.321 1.941 10 30 BDEERO CC(C)COCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000158896196 361213531 /nfs/dbraw/zinc/21/35/31/361213531.db2.gz PYCXQFFZGUDZFT-NWDGAFQWSA-N 1 0 210.321 1.941 10 30 BDEERO C=CCC[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000309922880 491158278 /nfs/dbraw/zinc/15/82/78/491158278.db2.gz TWJUZCZMNHVZAA-ZDUSSCGKSA-N 1 0 221.300 1.894 10 30 BDEERO [NH3+]CC#Cc1ccc(OCc2ccccn2)cc1 ZINC000037547950 181346111 /nfs/dbraw/zinc/34/61/11/181346111.db2.gz MCEABHDJWANXAJ-UHFFFAOYSA-N 1 0 238.290 1.971 10 30 BDEERO CC#CCC[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000155462166 201334224 /nfs/dbraw/zinc/33/42/24/201334224.db2.gz PESAKUKPJKGASH-CYBMUJFWSA-N 1 0 224.348 1.052 10 30 BDEERO [NH3+]CC#Cc1ccccc1CN1CCCCC1=O ZINC000049587718 181346826 /nfs/dbraw/zinc/34/68/26/181346826.db2.gz LBLLGKWNAAJSGT-UHFFFAOYSA-N 1 0 242.322 1.509 10 30 BDEERO [NH3+]CC#Cc1ccccc1OCC1CCOCC1 ZINC000052174778 181347645 /nfs/dbraw/zinc/34/76/45/181347645.db2.gz HYNOCSFTFRFLJX-UHFFFAOYSA-N 1 0 245.322 1.802 10 30 BDEERO [NH3+]CC#Cc1ccsc1C(=O)Nc1ncc[nH]1 ZINC000104294209 181347711 /nfs/dbraw/zinc/34/77/11/181347711.db2.gz QORPGLKXMMEDOU-UHFFFAOYSA-N 1 0 246.295 1.034 10 30 BDEERO [NH3+]CC#Cc1ccc(Cn2ccnc2)c(F)c1 ZINC000049610074 181346504 /nfs/dbraw/zinc/34/65/04/181346504.db2.gz XJYKWLLDHPAROQ-UHFFFAOYSA-N 1 0 229.258 1.381 10 30 BDEERO N#Cc1ccnc(N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000600959400 364363056 /nfs/dbraw/zinc/36/30/56/364363056.db2.gz VTNCVSXZVQMFDB-GFCCVEGCSA-N 1 0 230.315 1.661 10 30 BDEERO Cc1ccc(C#N)c(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955254 364364118 /nfs/dbraw/zinc/36/41/18/364364118.db2.gz KZZCVQDOZFBDBK-SKDRFNHKSA-N 1 0 230.315 1.814 10 30 BDEERO C[C@H]([NH3+])CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130693895 364509992 /nfs/dbraw/zinc/50/99/92/364509992.db2.gz STCYQYFHDFLDNU-QMMMGPOBSA-N 1 0 234.259 1.616 10 30 BDEERO C[C@H]1C[N@H+](CCOCCC#N)CCS1 ZINC000338965470 365443836 /nfs/dbraw/zinc/44/38/36/365443836.db2.gz XMSJWIUPUQHHQV-JTQLQIEISA-N 1 0 214.334 1.354 10 30 BDEERO C=CCOCC[N@@H+]1CCS[C@@H](C)C1 ZINC000338962098 365443956 /nfs/dbraw/zinc/44/39/56/365443956.db2.gz CXZHKIVQPUMQAK-JTQLQIEISA-N 1 0 201.335 1.626 10 30 BDEERO C#CC[C@H]([NH3+])C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000253154741 368571392 /nfs/dbraw/zinc/57/13/92/368571392.db2.gz BCACKXZXWNWWNV-KKOKHZNYSA-N 1 0 207.317 1.978 10 30 BDEERO CC[C@H]([NH3+])COc1cccc(N)c1C#N ZINC000114233058 368931064 /nfs/dbraw/zinc/93/10/64/368931064.db2.gz LAOUBOGHNPFULJ-QMMMGPOBSA-N 1 0 205.261 1.257 10 30 BDEERO CC[C@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122990705 368998105 /nfs/dbraw/zinc/99/81/05/368998105.db2.gz SJEJOSMTMRCJDT-GWCFXTLKSA-N 1 0 230.315 1.517 10 30 BDEERO COC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054828507 369101237 /nfs/dbraw/zinc/10/12/37/369101237.db2.gz UTUIASWCCCAEIQ-IJLUTSLNSA-N 1 0 210.321 1.941 10 30 BDEERO CC[C@H]([NH3+])CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592243 369110233 /nfs/dbraw/zinc/11/02/33/369110233.db2.gz VBCFYQBRMCMCQC-VIFPVBQESA-N 1 0 234.259 1.616 10 30 BDEERO N#Cc1nccnc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959015 369576683 /nfs/dbraw/zinc/57/66/83/369576683.db2.gz PMOUKNRQXDPLNG-JTQLQIEISA-N 1 0 231.303 1.056 10 30 BDEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cccnc1C#N)C2 ZINC000600956195 369578315 /nfs/dbraw/zinc/57/83/15/369578315.db2.gz PLCDQYIKOICKBS-OKILXGFUSA-N 1 0 242.326 1.389 10 30 BDEERO Cc1cc(C#N)cc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000600962712 369579432 /nfs/dbraw/zinc/57/94/32/369579432.db2.gz KGMXNWGYRPJBRA-KOLCDFICSA-N 1 0 216.288 1.188 10 30 BDEERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)ccc1C#N ZINC000600964845 369579563 /nfs/dbraw/zinc/57/95/63/369579563.db2.gz SZQCQWPGGVGFQM-AULYBMBSSA-N 1 0 244.342 1.613 10 30 BDEERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000600960921 369581356 /nfs/dbraw/zinc/58/13/56/369581356.db2.gz FVLXFOVWTINISD-GXSJLCMTSA-N 1 0 230.315 1.293 10 30 BDEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(F)cc1C#N ZINC000600962104 369582560 /nfs/dbraw/zinc/58/25/60/369582560.db2.gz AAXKEZYGCZNAIW-LDYMZIIASA-N 1 0 219.263 1.623 10 30 BDEERO C[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602592766 369823394 /nfs/dbraw/zinc/82/33/94/369823394.db2.gz INVIQNZPYWIUEP-GXFFZTMASA-N 1 0 243.310 1.225 10 30 BDEERO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)CC[N@@H+]1C ZINC000252217942 370002469 /nfs/dbraw/zinc/00/24/69/370002469.db2.gz ZQOSDBGYQBCYOL-LPWJVIDDSA-N 1 0 221.348 1.751 10 30 BDEERO C[C@@H]([NH3+])CCNc1ccc(C#N)cc1F ZINC000063171481 370138301 /nfs/dbraw/zinc/13/83/01/370138301.db2.gz OWWHKMNYGJKHSR-MRVPVSSYSA-N 1 0 207.252 1.847 10 30 BDEERO CC[C@@H]1CN(c2ccc(C#N)c(C)n2)CC[C@H]1[NH3+] ZINC000311191897 370390172 /nfs/dbraw/zinc/39/01/72/370390172.db2.gz GBCCCLTVZYKKHT-DGCLKSJQSA-N 1 0 244.342 1.825 10 30 BDEERO N[NH+]=C(N)c1ccc(Cl)cc1Br ZINC000126549724 371535337 /nfs/dbraw/zinc/53/53/37/371535337.db2.gz GMIHQYMVJVQNGV-UHFFFAOYSA-N 1 0 248.511 1.682 10 30 BDEERO N#Cc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000131568190 371624069 /nfs/dbraw/zinc/62/40/69/371624069.db2.gz KUNKFMDKRQDLJC-LBPRGKRZSA-N 1 0 229.283 1.122 10 30 BDEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000162332465 371660476 /nfs/dbraw/zinc/66/04/76/371660476.db2.gz MDRJGXKPWOGKGB-NWDGAFQWSA-N 1 0 238.331 1.200 10 30 BDEERO C[C@@H]1C[N@H+](CC2(CS)CC2)[C@@H](C)CO1 ZINC000227257628 371817013 /nfs/dbraw/zinc/81/70/13/371817013.db2.gz MSMMQYFVPTUVAB-VHSXEESVSA-N 1 0 215.362 1.806 10 30 BDEERO CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000163171254 371944030 /nfs/dbraw/zinc/94/40/30/371944030.db2.gz BCGOCZLGXDNDPD-QWRGUYRKSA-N 1 0 223.320 1.185 10 30 BDEERO C#C[C@H]([NH2+]CC)[C@H]1SCCS[C@@H]1C ZINC000228132677 371995423 /nfs/dbraw/zinc/99/54/23/371995423.db2.gz SBVQWBUELQYHOE-UTLUCORTSA-N 1 0 215.387 1.835 10 30 BDEERO C=C(C(F)(F)F)[C@]1(O)CC[NH2+]C[C@@H]1C ZINC000306503944 372029243 /nfs/dbraw/zinc/02/92/43/372029243.db2.gz XZASNYKLRHJUIP-XPUUQOCRSA-N 1 0 209.211 1.465 10 30 BDEERO C#CC[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000163571510 372013984 /nfs/dbraw/zinc/01/39/84/372013984.db2.gz LUVRAKGCCGFOFO-MRVPVSSYSA-N 1 0 225.089 1.867 10 30 BDEERO C#C[C@H]([NH2+]C)[C@@H]1SCCS[C@H]1CC ZINC000228292140 372014137 /nfs/dbraw/zinc/01/41/37/372014137.db2.gz JKFJOIQHSZWWNP-GUBZILKMSA-N 1 0 215.387 1.835 10 30 BDEERO [NH3+]CC#Cc1c(F)c(F)ccc1Cl ZINC000306735473 372063162 /nfs/dbraw/zinc/06/31/62/372063162.db2.gz WEXMBZPMUZCPFS-UHFFFAOYSA-N 1 0 201.603 1.928 10 30 BDEERO C#CC[C@@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218869073 372161903 /nfs/dbraw/zinc/16/19/03/372161903.db2.gz DLGBOVZGBWXYTA-WDEREUQCSA-N 1 0 238.331 1.594 10 30 BDEERO CC(C)(CCC#N)C[NH2+]CC1CC(O)C1 ZINC000229698294 372182015 /nfs/dbraw/zinc/18/20/15/372182015.db2.gz ACXKLBBKNYSFSU-UHFFFAOYSA-N 1 0 210.321 1.677 10 30 BDEERO C=C(Br)CN1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000069720242 373648866 /nfs/dbraw/zinc/64/88/66/373648866.db2.gz NWNAUCJCYHRDIE-CBAPKCEASA-N 1 0 233.153 1.564 10 30 BDEERO CCC[N@H+](C[C@@H]1CO1)CC1CCOCC1 ZINC000085343258 169138301 /nfs/dbraw/zinc/13/83/01/169138301.db2.gz UAHILVOVWZKQFG-GFCCVEGCSA-N 1 0 213.321 1.524 10 30 BDEERO CCC[NH+]1CCN(Cc2cccnc2C#N)CC1 ZINC000061664246 169203746 /nfs/dbraw/zinc/20/37/46/169203746.db2.gz GDJZJWVWYUAMEE-UHFFFAOYSA-N 1 0 244.342 1.481 10 30 BDEERO CCC[C@@H](C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629295 169369183 /nfs/dbraw/zinc/36/91/83/169369183.db2.gz QYRNDKMOFJPFFC-LLVKDONJSA-N 1 0 245.326 1.310 10 30 BDEERO CCC[C@]1(C(=O)NC[C@H](C)C#N)CCC[NH2+]C1 ZINC000062861142 169554926 /nfs/dbraw/zinc/55/49/26/169554926.db2.gz IYYXOVKVQNOUHL-YPMHNXCESA-N 1 0 237.347 1.432 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334745264 383947528 /nfs/dbraw/zinc/94/75/28/383947528.db2.gz FBXHMZSQCAUMET-SMDDNHRTSA-N 1 0 230.311 1.761 10 30 BDEERO C=CCCCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643709252 384149485 /nfs/dbraw/zinc/14/94/85/384149485.db2.gz UQLHWNUPKQGYIL-ZDUSSCGKSA-N 1 0 240.347 1.180 10 30 BDEERO N#Cc1ccncc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000135614981 384201295 /nfs/dbraw/zinc/20/12/95/384201295.db2.gz UFRIAMJEJBVMBW-CYBMUJFWSA-N 1 0 242.326 1.628 10 30 BDEERO C[C@@H](CCCC[NH3+])Nc1cc(C#N)ccn1 ZINC000336651964 384245421 /nfs/dbraw/zinc/24/54/21/384245421.db2.gz IILQRIGOOIKOJL-JTQLQIEISA-N 1 0 218.304 1.883 10 30 BDEERO CC[C@@H]([NH3+])CNc1cc(C#N)cc(C)n1 ZINC000157682823 384253736 /nfs/dbraw/zinc/25/37/36/384253736.db2.gz GQJGADCJGVESIP-SNVBAGLBSA-N 1 0 204.277 1.411 10 30 BDEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335587904 384352908 /nfs/dbraw/zinc/35/29/08/384352908.db2.gz AEPITFKEEDOKTO-WFASDCNBSA-N 1 0 244.338 1.955 10 30 BDEERO C[C@@H]1C[C@@H](O)C[N@H+](CC#Cc2ccccc2)C1 ZINC000335590507 384354055 /nfs/dbraw/zinc/35/40/55/384354055.db2.gz PEKIIHVLFQVRGR-UKRRQHHQSA-N 1 0 229.323 1.741 10 30 BDEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300359402 384357411 /nfs/dbraw/zinc/35/74/11/384357411.db2.gz IUNNDRYMRNYTJX-SRVKXCTJSA-N 1 0 208.305 1.695 10 30 BDEERO SCC[NH2+]CCCO[C@@H]1CCCCO1 ZINC000096328043 384452103 /nfs/dbraw/zinc/45/21/03/384452103.db2.gz XACBEVXKBXRBCB-SNVBAGLBSA-N 1 0 219.350 1.439 10 30 BDEERO C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000100248072 384629010 /nfs/dbraw/zinc/62/90/10/384629010.db2.gz VLJYMRXGXDSNOY-UMNHJUIQSA-N 1 0 242.388 1.282 10 30 BDEERO C#CC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000019875364 385155122 /nfs/dbraw/zinc/15/51/22/385155122.db2.gz HAHFHWDXJXMBCP-UHFFFAOYSA-N 1 0 235.283 1.435 10 30 BDEERO C[C@H](C#N)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000407998380 385344415 /nfs/dbraw/zinc/34/44/15/385344415.db2.gz RDGDJCYNMDNUCJ-MNOVXSKESA-N 1 0 223.320 1.279 10 30 BDEERO N#Cc1ccc([C@H]2C[C@@H](O)CC[NH2+]2)cc1 ZINC000584598939 385469785 /nfs/dbraw/zinc/46/97/85/385469785.db2.gz BOUWSLUTJRWHDN-NWDGAFQWSA-N 1 0 202.257 1.344 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000149410803 385555687 /nfs/dbraw/zinc/55/56/87/385555687.db2.gz NTACJTQULXNMNW-CYBMUJFWSA-N 1 0 228.299 1.238 10 30 BDEERO C[C@H](CC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336690355 385718946 /nfs/dbraw/zinc/71/89/46/385718946.db2.gz HGOWUKIPSHZUKY-MRVPVSSYSA-N 1 0 234.259 1.616 10 30 BDEERO CC[C@H]1C[N@H+](CC)CCN1c1nccc(C#N)n1 ZINC000408458634 385720289 /nfs/dbraw/zinc/72/02/89/385720289.db2.gz UTMQSYJNWNHEQE-LBPRGKRZSA-N 1 0 245.330 1.269 10 30 BDEERO C#CC[NH+]1CCC(c2nccs2)CC1 ZINC000373992816 533150849 /nfs/dbraw/zinc/15/08/49/533150849.db2.gz OCPZMGTUBIBQSC-UHFFFAOYSA-N 1 0 206.314 1.956 10 30 BDEERO C#CC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000182841403 533149439 /nfs/dbraw/zinc/14/94/39/533149439.db2.gz PEOXMMNYTQZLCU-UHFFFAOYSA-N 1 0 230.311 1.866 10 30 BDEERO C[C@H](CCCC[NH3+])Nc1cccnc1C#N ZINC000309410621 386214724 /nfs/dbraw/zinc/21/47/24/386214724.db2.gz FYFZBZDKVFAIGJ-SNVBAGLBSA-N 1 0 218.304 1.883 10 30 BDEERO C[C@@H]([NH3+])CNc1c(C#N)nnc2ccccc21 ZINC000085920962 386217932 /nfs/dbraw/zinc/21/79/32/386217932.db2.gz ZBISLVLOVVARKM-MRVPVSSYSA-N 1 0 227.271 1.261 10 30 BDEERO CC[NH2+][C@H](C)CNc1cc(C)ncc1C#N ZINC000398996949 386410900 /nfs/dbraw/zinc/41/09/00/386410900.db2.gz APIMHNVOAKJHAO-SNVBAGLBSA-N 1 0 218.304 1.094 10 30 BDEERO C=C(Cl)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000122745038 386516089 /nfs/dbraw/zinc/51/60/89/386516089.db2.gz MTHHBMGBGWBZNK-SNVBAGLBSA-N 1 0 200.713 1.519 10 30 BDEERO C[NH2+]CCCn1c(Cl)ncc1CC#N ZINC000521401329 386457868 /nfs/dbraw/zinc/45/78/68/386457868.db2.gz JVYBBGMGXFGRJJ-UHFFFAOYSA-N 1 0 212.684 1.212 10 30 BDEERO CCCC[C@@H](C[NH3+])Nc1cc(C)ncc1C#N ZINC000399020874 386616073 /nfs/dbraw/zinc/61/60/73/386616073.db2.gz FGXIQGXIKMTGPS-LBPRGKRZSA-N 1 0 232.331 1.613 10 30 BDEERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064321 386672365 /nfs/dbraw/zinc/67/23/65/386672365.db2.gz KGYBTRZGWVCCTP-CMPLNLGQSA-N 1 0 230.315 1.223 10 30 BDEERO C=C[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575481598 387190055 /nfs/dbraw/zinc/19/00/55/387190055.db2.gz HRXAVYBMUSJKSF-ZCFIWIBFSA-N 1 0 216.082 1.368 10 30 BDEERO C[C@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000575495994 387315462 /nfs/dbraw/zinc/31/54/62/387315462.db2.gz CJYUMYDAUWZKQM-CABZTGNLSA-N 1 0 239.319 1.545 10 30 BDEERO C=C(Cl)CN1C[C@@H](C)[NH2+]CC1(C)C ZINC000575542448 387590893 /nfs/dbraw/zinc/59/08/93/387590893.db2.gz TYAGNYSOAKSAQD-SECBINFHSA-N 1 0 202.729 1.811 10 30 BDEERO C#CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510594 387919101 /nfs/dbraw/zinc/91/91/01/387919101.db2.gz XFQIYJNGIZMCHG-LBPRGKRZSA-N 1 0 244.342 1.775 10 30 BDEERO C[C@H]1C[C@@H](O)C[N@@H+]1CC1(C=O)CCCC1 ZINC000306621919 388009746 /nfs/dbraw/zinc/00/97/46/388009746.db2.gz CRCVXXDZZNEPKO-WDEREUQCSA-N 1 0 211.305 1.201 10 30 BDEERO COc1c(C[NH2+]CCCC#N)c(C)nn1C ZINC000336658117 388076183 /nfs/dbraw/zinc/07/61/83/388076183.db2.gz BFFOCHOMCWFXGB-UHFFFAOYSA-N 1 0 222.292 1.131 10 30 BDEERO C[NH+]1CCC(OC(=O)c2ccc(C#N)cc2)CC1 ZINC000029316528 388355150 /nfs/dbraw/zinc/35/51/50/388355150.db2.gz MSPDUNFEWCGCES-UHFFFAOYSA-N 1 0 244.294 1.809 10 30 BDEERO CC[C@@H]([NH3+])C(=O)Nc1sccc1C#N ZINC000040852038 388427514 /nfs/dbraw/zinc/42/75/14/388427514.db2.gz VBEJACALCWJBMD-SSDOTTSWSA-N 1 0 209.274 1.296 10 30 BDEERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CC(C)C2)C1 ZINC000125801201 388676922 /nfs/dbraw/zinc/67/69/22/388676922.db2.gz HTCZCIOHSWVEMR-MBHSVXNSSA-N 1 0 249.358 1.527 10 30 BDEERO Cc1cc(NC[C@@H]([NH3+])C(C)C)cc(C#N)n1 ZINC000308239730 388658235 /nfs/dbraw/zinc/65/82/35/388658235.db2.gz KYZZIMLVCHGOLO-GFCCVEGCSA-N 1 0 218.304 1.657 10 30 BDEERO N#Cc1c(F)cccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112011879 388662859 /nfs/dbraw/zinc/66/28/59/388662859.db2.gz PISBTPAQEMGJLZ-LLVKDONJSA-N 1 0 245.301 1.982 10 30 BDEERO C[C@H]1SC(NCC2CSC2)=[NH+][C@H]1C ZINC000575469318 388843534 /nfs/dbraw/zinc/84/35/34/388843534.db2.gz GRUYUMIMQIWDFA-NKWVEPMBSA-N 1 0 216.375 1.819 10 30 BDEERO N#Cc1ccc(N2CCC(C[NH3+])CC2)c(F)c1 ZINC000044514851 132224964 /nfs/dbraw/zinc/22/49/64/132224964.db2.gz FRGLVHIBUQUNNP-UHFFFAOYSA-N 1 0 233.290 1.872 10 30 BDEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000301947087 132308669 /nfs/dbraw/zinc/30/86/69/132308669.db2.gz XVZJDARIEXSQOJ-GFCCVEGCSA-N 1 0 243.314 1.023 10 30 BDEERO N#Cc1cnccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000372522666 132311906 /nfs/dbraw/zinc/31/19/06/132311906.db2.gz MTRYVAPTMQJANJ-ZDUSSCGKSA-N 1 0 242.326 1.628 10 30 BDEERO Cc1cccc(N2CC[NH+](C[C@@H]3CO3)CC2)c1 ZINC000019264617 132324355 /nfs/dbraw/zinc/32/43/55/132324355.db2.gz GCSKKASWLGMDLV-CQSZACIVSA-N 1 0 232.327 1.516 10 30 BDEERO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H](C)[NH2+]1 ZINC000070078774 132390835 /nfs/dbraw/zinc/39/08/35/132390835.db2.gz MXHJYHLROUNOJU-NXEZZACHSA-N 1 0 233.290 1.884 10 30 BDEERO Cc1ccnc(N2CC[C@H](C)C[C@@H]2C[NH3+])c1C#N ZINC000235631619 132401526 /nfs/dbraw/zinc/40/15/26/132401526.db2.gz WTLCBEUJFSHXRY-CMPLNLGQSA-N 1 0 244.342 1.825 10 30 BDEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@H](C)C(C)C ZINC000171617007 134256892 /nfs/dbraw/zinc/25/68/92/134256892.db2.gz VUPUYXOFVXGOPN-SNVBAGLBSA-N 1 0 249.362 1.495 10 30 BDEERO N#Cc1cnc(N2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000185296101 134375957 /nfs/dbraw/zinc/37/59/57/134375957.db2.gz GEIBKUDQHMZVHH-UHFFFAOYSA-N 1 0 243.314 1.023 10 30 BDEERO N/C(=N/O)[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000079817252 134392332 /nfs/dbraw/zinc/39/23/32/134392332.db2.gz RMJZZORKDRGWSC-NSHDSACASA-N 1 0 225.336 1.778 10 30 BDEERO C=C(Br)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000153537459 134639618 /nfs/dbraw/zinc/63/96/18/134639618.db2.gz UOUIPTZJXDSNJW-HTQZYQBOSA-N 1 0 247.136 1.139 10 30 BDEERO C#CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000251888198 135080625 /nfs/dbraw/zinc/08/06/25/135080625.db2.gz VUTHDJNYROCSAF-OLZOCXBDSA-N 1 0 206.333 1.568 10 30 BDEERO N#CC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000259242028 135142058 /nfs/dbraw/zinc/14/20/58/135142058.db2.gz PUHVGLDLYRQQIW-LLVKDONJSA-N 1 0 205.305 1.070 10 30 BDEERO CN1CC[NH+]=C1NCC(C)(C)c1ccccc1 ZINC000261540745 135180291 /nfs/dbraw/zinc/18/02/91/135180291.db2.gz ALHYQIJUZQSNNV-UHFFFAOYSA-N 1 0 231.343 1.855 10 30 BDEERO CC1(C)CN(c2ncccc2C#N)CC[C@@H]1[NH3+] ZINC000261542096 135182448 /nfs/dbraw/zinc/18/24/48/135182448.db2.gz BTLQZXWURBNYDV-NSHDSACASA-N 1 0 230.315 1.517 10 30 BDEERO Cc1cc(CNC(=[NH2+])NC(C)(C)C)nc(C)n1 ZINC000261893600 135260823 /nfs/dbraw/zinc/26/08/23/135260823.db2.gz UMCCXAFLJIINBM-UHFFFAOYSA-N 1 0 235.335 1.296 10 30 BDEERO COc1ccc(OC)c(NC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000262011147 135272031 /nfs/dbraw/zinc/27/20/31/135272031.db2.gz UBEXYLVSWANKFL-SCZZXKLOSA-N 1 0 249.314 1.839 10 30 BDEERO CNC(N[C@@H]1COc2cccc(Cl)c21)=[NH+]C ZINC000262339063 135293906 /nfs/dbraw/zinc/29/39/06/135293906.db2.gz ZZOARKUUTKHIRE-MRVPVSSYSA-N 1 0 239.706 1.568 10 30 BDEERO CCCNC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262399286 135299177 /nfs/dbraw/zinc/29/91/77/135299177.db2.gz NJDPUHFUVCUBKQ-JTQLQIEISA-N 1 0 237.278 1.574 10 30 BDEERO CN(C)C(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262532751 135304940 /nfs/dbraw/zinc/30/49/40/135304940.db2.gz OHFHUDWMXYFKRK-XVKPBYJWSA-N 1 0 239.269 1.697 10 30 BDEERO C[NH+]=C(NCC1CCC1)NC[C@@H]1CCC[C@@H]1O ZINC000262766567 135317392 /nfs/dbraw/zinc/31/73/92/135317392.db2.gz GFESDNAUSOJNEX-RYUDHWBXSA-N 1 0 239.363 1.113 10 30 BDEERO COC1CCC(C)(CNC(=[NH2+])N2CCC2)CC1 ZINC000263143545 135335598 /nfs/dbraw/zinc/33/55/98/135335598.db2.gz OOAONWJLCBMCNC-UHFFFAOYSA-N 1 0 239.363 1.602 10 30 BDEERO CN(C(=[NH2+])N[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC000263154279 135336219 /nfs/dbraw/zinc/33/62/19/135336219.db2.gz MOEPFRZXHHHWJY-BQBZGAKWSA-N 1 0 203.236 1.049 10 30 BDEERO CN(C(=[NH2+])NCc1ccc(C#N)s1)C1CC1 ZINC000263170213 135336855 /nfs/dbraw/zinc/33/68/55/135336855.db2.gz RYINMQZIMWXDRD-UHFFFAOYSA-N 1 0 234.328 1.529 10 30 BDEERO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC23CC3)C1 ZINC000263204399 135339700 /nfs/dbraw/zinc/33/97/00/135339700.db2.gz XYGUOTZSEKUKLS-QWRGUYRKSA-N 1 0 221.348 1.833 10 30 BDEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1CC1(C)C ZINC000263226495 135341130 /nfs/dbraw/zinc/34/11/30/135341130.db2.gz GPRLZMRJALNNFE-NXEZZACHSA-N 1 0 211.353 1.994 10 30 BDEERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000296045837 135379922 /nfs/dbraw/zinc/37/99/22/135379922.db2.gz FMSHBXWMMORNRD-ZFWWWQNUSA-N 1 0 229.323 1.883 10 30 BDEERO C[NH+](C)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000062965523 397810574 /nfs/dbraw/zinc/81/05/74/397810574.db2.gz ZGEYZXBULUXCGH-CYBMUJFWSA-N 1 0 247.317 1.833 10 30 BDEERO N#Cc1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000083798774 398067319 /nfs/dbraw/zinc/06/73/19/398067319.db2.gz GJRLCDISAFLGNP-GFCCVEGCSA-N 1 0 228.299 1.238 10 30 BDEERO C#CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000037710084 166150617 /nfs/dbraw/zinc/15/06/17/166150617.db2.gz ONLAQRJBEWSTKQ-UHFFFAOYSA-N 1 0 234.255 1.716 10 30 BDEERO C=CCCOCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308787822 409905133 /nfs/dbraw/zinc/90/51/33/409905133.db2.gz HBTLWIYXMYKJGS-NSHDSACASA-N 1 0 215.337 1.576 10 30 BDEERO C=CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653138294 409860858 /nfs/dbraw/zinc/86/08/58/409860858.db2.gz SYFVIESHBMZTHQ-HTQZYQBOSA-N 1 0 236.237 1.029 10 30 BDEERO C#CC(=O)N(CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747877 166108957 /nfs/dbraw/zinc/10/89/57/166108957.db2.gz UCXXPZOUVKCRSR-FOSCPWQOSA-N 1 0 220.316 1.141 10 30 BDEERO C#CC[NH2+]C[C@H](C)n1nnc2ccccc21 ZINC000053526819 166188928 /nfs/dbraw/zinc/18/89/28/166188928.db2.gz ATUKITCCFGZRRT-JTQLQIEISA-N 1 0 214.272 1.215 10 30 BDEERO C#CC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037184919 166190246 /nfs/dbraw/zinc/19/02/46/166190246.db2.gz GSJSSIHNUHXAIM-GFCCVEGCSA-N 1 0 217.268 1.742 10 30 BDEERO C=CCN(C(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000037817720 166310854 /nfs/dbraw/zinc/31/08/54/166310854.db2.gz IHWIGHIEGXSKKD-NSHDSACASA-N 1 0 210.321 1.409 10 30 BDEERO C=CCN(CC[NH3+])Cc1ccc(C)cc1 ZINC000032010396 166340758 /nfs/dbraw/zinc/34/07/58/166340758.db2.gz LPLIPNDJGHVULH-UHFFFAOYSA-N 1 0 204.317 1.942 10 30 BDEERO C=CCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC000052144951 166362042 /nfs/dbraw/zinc/36/20/42/166362042.db2.gz UKQYYIBGIIMZPR-ZDUSSCGKSA-N 1 0 202.301 1.558 10 30 BDEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020314532 166388209 /nfs/dbraw/zinc/38/82/09/166388209.db2.gz RZMOCDSLSQUMIW-NSHDSACASA-N 1 0 248.326 1.476 10 30 BDEERO C=CC[NH2+]CCC(=O)c1ccc(C)c(N)c1 ZINC000098124448 166399267 /nfs/dbraw/zinc/39/92/67/166399267.db2.gz PGPHORAZFSEQNQ-UHFFFAOYSA-N 1 0 218.300 1.926 10 30 BDEERO CC(C)[NH2+]CCCC(=O)N(CCC#N)C1CC1 ZINC000038099493 167099177 /nfs/dbraw/zinc/09/91/77/167099177.db2.gz CCBOHZBYKWXHPE-UHFFFAOYSA-N 1 0 237.347 1.669 10 30 BDEERO CC(C)N[C@@](C)(C#N)CC[N@@H+]1CCCOCC1 ZINC000061933133 167135892 /nfs/dbraw/zinc/13/58/92/167135892.db2.gz ICBPHTZLCXUTHD-CYBMUJFWSA-N 1 0 239.363 1.379 10 30 BDEERO C=CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H](C)COC ZINC000659340234 411367310 /nfs/dbraw/zinc/36/73/10/411367310.db2.gz ROUBDBDPRDRTQJ-IJLUTSLNSA-N 1 0 240.347 1.163 10 30 BDEERO C[C@@H](C#N)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118451 168156610 /nfs/dbraw/zinc/15/66/10/168156610.db2.gz ICWJYAVACZWVNM-CXQJBGSLSA-N 1 0 210.321 1.677 10 30 BDEERO CCC(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000037471190 168245296 /nfs/dbraw/zinc/24/52/96/168245296.db2.gz KHNMMBQPEBVMBF-UHFFFAOYSA-N 1 0 202.257 1.345 10 30 BDEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000659330685 411395472 /nfs/dbraw/zinc/39/54/72/411395472.db2.gz ZOQREKRJKBXNAO-FRRDWIJNSA-N 1 0 236.359 1.847 10 30 BDEERO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659330714 411395932 /nfs/dbraw/zinc/39/59/32/411395932.db2.gz ZOQREKRJKBXNAO-YNEHKIRRSA-N 1 0 236.359 1.847 10 30 BDEERO C=CCOCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000659358417 411401988 /nfs/dbraw/zinc/40/19/88/411401988.db2.gz IQNQGQNIKNLYCD-NWDGAFQWSA-N 1 0 240.347 1.083 10 30 BDEERO CCNC(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000037552791 170084697 /nfs/dbraw/zinc/08/46/97/170084697.db2.gz FWYWLJRISFKFSE-UHFFFAOYSA-N 1 0 235.262 1.277 10 30 BDEERO CC[NH2+]CC(=O)Nc1cc(C#N)ccc1C ZINC000050430440 170109711 /nfs/dbraw/zinc/10/97/11/170109711.db2.gz WHTIHOBZHWQLJG-UHFFFAOYSA-N 1 0 217.272 1.415 10 30 BDEERO CCN[C@@H](C#N)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104199840 170138186 /nfs/dbraw/zinc/13/81/86/170138186.db2.gz JSJRTPUIEDEINO-QWHCGFSZSA-N 1 0 239.363 1.237 10 30 BDEERO CCOC1CC[NH+](C[C@]2(C=O)CCOC2)CC1 ZINC000051177581 170332382 /nfs/dbraw/zinc/33/23/82/170332382.db2.gz KABRLTLAZCQSKE-ZDUSSCGKSA-N 1 0 241.331 1.093 10 30 BDEERO CC[C@@H](CC#N)NC(=O)C1CCC([NH3+])CC1 ZINC000054179880 170810868 /nfs/dbraw/zinc/81/08/68/170810868.db2.gz KGJRBLVFMTUJFJ-ILDUYXDCSA-N 1 0 223.320 1.312 10 30 BDEERO CC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000037569870 171336265 /nfs/dbraw/zinc/33/62/65/171336265.db2.gz CGXQCHDHNYGXED-JTQLQIEISA-N 1 0 248.301 1.664 10 30 BDEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C#N ZINC000011960809 171396648 /nfs/dbraw/zinc/39/66/48/171396648.db2.gz CSNLDMXODDPMJR-CABZTGNLSA-N 1 0 231.299 1.870 10 30 BDEERO C[NH+](C)C[C@@H]1CCCN1c1ccc(C#N)cc1N ZINC000061642968 172486689 /nfs/dbraw/zinc/48/66/89/172486689.db2.gz CGRXYMQJARIYCF-LBPRGKRZSA-N 1 0 244.342 1.671 10 30 BDEERO CN(C[C@@H]1CCC[NH2+]1)c1cc(C#N)ccn1 ZINC000095070938 172810116 /nfs/dbraw/zinc/81/01/16/172810116.db2.gz IUBWENYLFRTDCH-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)C1 ZINC000042375243 173156067 /nfs/dbraw/zinc/15/60/67/173156067.db2.gz PGCJYEOKGLJKKT-JTQLQIEISA-N 1 0 202.261 1.069 10 30 BDEERO C[N@@H+]1CC[C@H](Nc2cccc(C#N)c2)C1 ZINC000061984639 173156350 /nfs/dbraw/zinc/15/63/50/173156350.db2.gz BIJJSHFYAVQJBC-LBPRGKRZSA-N 1 0 201.273 1.674 10 30 BDEERO C[NH2+]C(C)(C)C(=O)N(CC#N)Cc1ccccc1 ZINC000061317890 173317317 /nfs/dbraw/zinc/31/73/17/173317317.db2.gz BRAJITHJJBTDKT-UHFFFAOYSA-N 1 0 245.326 1.537 10 30 BDEERO C[NH2+]CCCN(CC#N)C(=O)OC(C)(C)C ZINC000095930070 173347113 /nfs/dbraw/zinc/34/71/13/173347113.db2.gz ITBMBKNALVXHCW-UHFFFAOYSA-N 1 0 227.308 1.357 10 30 BDEERO C[NH2+]CCOc1nc2c(cc1C#N)CCC2 ZINC000051866976 173357325 /nfs/dbraw/zinc/35/73/25/173357325.db2.gz DTEFGHHJRLFQQK-UHFFFAOYSA-N 1 0 217.272 1.040 10 30 BDEERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000054073529 173413996 /nfs/dbraw/zinc/41/39/96/173413996.db2.gz LFXVDHSWCOXLKD-ZJUUUORDSA-N 1 0 231.299 1.343 10 30 BDEERO COCC[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049614785 174281651 /nfs/dbraw/zinc/28/16/51/174281651.db2.gz MXHZBIZYIWNKLJ-UHFFFAOYSA-N 1 0 247.338 1.499 10 30 BDEERO COCCN(CCC#N)[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000071222431 174289964 /nfs/dbraw/zinc/28/99/64/174289964.db2.gz QWOGTQRGZPIWHB-VXGBXAGGSA-N 1 0 241.379 1.610 10 30 BDEERO COc1ccccc1[C@H](C#N)N1CCC[NH2+]CC1 ZINC000037940466 175350747 /nfs/dbraw/zinc/35/07/47/175350747.db2.gz LLFOZZHZGBPMTJ-ZDUSSCGKSA-N 1 0 245.326 1.555 10 30 BDEERO COc1ccccc1[C@H](C[NH3+])N(CC#N)CC#N ZINC000043096964 175353412 /nfs/dbraw/zinc/35/34/12/175353412.db2.gz OEAIDJMBELWDRC-LBPRGKRZSA-N 1 0 244.298 1.044 10 30 BDEERO C[C@@H]([NH3+])[C@H](c1cccs1)n1cnc(C#N)n1 ZINC000061841952 175813380 /nfs/dbraw/zinc/81/33/80/175813380.db2.gz CKIFBSKLMXNKEO-GMSGAONNSA-N 1 0 233.300 1.148 10 30 BDEERO C[C@H]([NH3+])c1ccc(OCC(=O)NCCC#N)cc1 ZINC000037697485 176776974 /nfs/dbraw/zinc/77/69/74/176776974.db2.gz LKPJSFCKSYMDPQ-JTQLQIEISA-N 1 0 247.298 1.115 10 30 BDEERO C[C@H](c1ccc(C#CC[NH3+])cc1)N1CCCC1=O ZINC000049587751 177032241 /nfs/dbraw/zinc/03/22/41/177032241.db2.gz MQAPUTPSCGOQBF-GFCCVEGCSA-N 1 0 242.322 1.680 10 30 BDEERO C[C@H]1CCC[C@@](CNCC#N)([NH+](C)C)C1 ZINC000040669721 177127415 /nfs/dbraw/zinc/12/74/15/177127415.db2.gz WOZMQFZBFIONRP-NWDGAFQWSA-N 1 0 209.337 1.610 10 30 BDEERO C[C@H]1COCCN1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609130 177292793 /nfs/dbraw/zinc/29/27/93/177292793.db2.gz YHNMSIIBHIZJCM-ZDUSSCGKSA-N 1 0 244.338 1.218 10 30 BDEERO C[C@H]1C[C@H](N(C)c2nccc(C#N)n2)CC[N@@H+]1C ZINC000297133074 177365476 /nfs/dbraw/zinc/36/54/76/177365476.db2.gz NCOOXKJQOQEDEH-CMPLNLGQSA-N 1 0 245.330 1.267 10 30 BDEERO C[C@H]1C[C@H]1C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586525 177377079 /nfs/dbraw/zinc/37/70/79/177377079.db2.gz QQDRRPLEWWOAHQ-SMDDNHRTSA-N 1 0 242.322 1.269 10 30 BDEERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)cc(C#N)n1 ZINC000308241104 229225463 /nfs/dbraw/zinc/22/54/63/229225463.db2.gz NLXGKWINABJYNX-QWRGUYRKSA-N 1 0 230.315 1.801 10 30 BDEERO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)cc(C#N)n1 ZINC000308245531 229421967 /nfs/dbraw/zinc/42/19/67/229421967.db2.gz RQJCFDQTOWYRST-RNCFNFMXSA-N 1 0 230.315 1.672 10 30 BDEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595482516 487866228 /nfs/dbraw/zinc/86/62/28/487866228.db2.gz PGASGESXTYIKJZ-IVZWLZJFSA-N 1 0 230.258 1.692 10 30 BDEERO C=CCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000155278031 326190895 /nfs/dbraw/zinc/19/08/95/326190895.db2.gz AJMOJJMFXHYYHY-GFCCVEGCSA-N 1 0 241.379 1.790 10 30 BDEERO CC#CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000158432644 326321007 /nfs/dbraw/zinc/32/10/07/326321007.db2.gz RWNVCQGONGWCAR-GFCCVEGCSA-N 1 0 237.299 1.160 10 30 BDEERO C=CCN(CC=C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309038 488043258 /nfs/dbraw/zinc/04/32/58/488043258.db2.gz XDSURBVVINVBNW-NEPJUHHUSA-N 1 0 222.332 1.562 10 30 BDEERO C=C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000382575732 487546889 /nfs/dbraw/zinc/54/68/89/487546889.db2.gz DQWOEGUQSJBDIV-VXGBXAGGSA-N 1 0 222.332 1.540 10 30 BDEERO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C#N)n1 ZINC000308235561 533916422 /nfs/dbraw/zinc/91/64/22/533916422.db2.gz ADNVCTHFDJREME-QMTHXVAHSA-N 1 0 244.342 1.683 10 30 BDEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cncc(C#N)n1 ZINC000401339365 529072288 /nfs/dbraw/zinc/07/22/88/529072288.db2.gz TXZWXODDPNFDKF-GFCCVEGCSA-N 1 0 245.330 1.269 10 30 BDEERO CCNC(N[C@@H]1C[C@@H]2OCCC[C@@H]12)=[NH+]CC ZINC000249772771 535786841 /nfs/dbraw/zinc/78/68/41/535786841.db2.gz JSUYREYSIHNPDB-AXFHLTTASA-N 1 0 225.336 1.129 10 30 BDEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCC1 ZINC000263210602 535884422 /nfs/dbraw/zinc/88/44/22/535884422.db2.gz YZMROKRMIZAKIL-CMPLNLGQSA-N 1 0 209.337 1.832 10 30 BDEERO CCN(CC[NH3+])c1nc2ccccc2cc1C#N ZINC000122844584 589639018 /nfs/dbraw/zinc/63/90/18/589639018.db2.gz AFGWJOHEKRQPMO-UHFFFAOYSA-N 1 0 240.310 1.891 10 30 BDEERO CCN(c1ccc(C#N)c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000310102675 634477832 /nfs/dbraw/zinc/47/78/32/634477832.db2.gz YNFFXKXMUYSNNY-GFCCVEGCSA-N 1 0 230.315 1.450 10 30 BDEERO Cc1nc(C#N)cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000308469049 631355630 /nfs/dbraw/zinc/35/56/30/631355630.db2.gz JWSAEDYNIFAFEL-CABZTGNLSA-N 1 0 245.330 1.043 10 30 BDEERO C[C@@H]1[C@@H]([NH3+])CCN1c1nc(Cl)c(C#N)s1 ZINC000309035847 631808465 /nfs/dbraw/zinc/80/84/65/631808465.db2.gz FWOJRDONZFIQRO-RITPCOANSA-N 1 0 242.735 1.594 10 30 BDEERO C#CCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000248684293 632542920 /nfs/dbraw/zinc/54/29/20/632542920.db2.gz YFRQMAHTWDWOMN-QWHCGFSZSA-N 1 0 236.359 1.635 10 30 BDEERO C#CCC(C)(C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000185039912 636063616 /nfs/dbraw/zinc/06/36/16/636063616.db2.gz SIDHWTVGGAYOEF-LBPRGKRZSA-N 1 0 238.375 1.882 10 30 BDEERO C#CCC[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312289791 634036952 /nfs/dbraw/zinc/03/69/52/634036952.db2.gz VIEJYAPKZABBBG-UHFFFAOYSA-N 1 0 207.248 1.947 10 30 BDEERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890673 641004541 /nfs/dbraw/zinc/00/45/41/641004541.db2.gz CSKPPRSYNROCEJ-QWRGUYRKSA-N 1 0 237.347 1.573 10 30 BDEERO C#CCCCNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000174238069 641258458 /nfs/dbraw/zinc/25/84/58/641258458.db2.gz RKGFOFQHKMZWFS-LBPRGKRZSA-N 1 0 237.347 1.183 10 30 BDEERO C#CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000070245697 643005187 /nfs/dbraw/zinc/00/51/87/643005187.db2.gz WFOSXIFOOBJSKE-UHFFFAOYSA-N 1 0 226.283 1.585 10 30 BDEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccnc(C#N)c1 ZINC000071190220 643641002 /nfs/dbraw/zinc/64/10/02/643641002.db2.gz SYXHXUSGIOSEEC-LLVKDONJSA-N 1 0 230.315 1.341 10 30 BDEERO CCN(c1cccc(C#N)n1)[C@H]1CC[NH2+]C1 ZINC000081597467 644335839 /nfs/dbraw/zinc/33/58/39/644335839.db2.gz KORIULYDYKBOTR-NSHDSACASA-N 1 0 216.288 1.141 10 30 BDEERO C=C(Cl)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000711019522 712275054 /nfs/dbraw/zinc/27/50/54/712275054.db2.gz CKCWOVJSSABPRH-ZJUUUORDSA-N 1 0 202.729 1.717 10 30 BDEERO CC1(C)CN(c2cc(C#N)ccn2)C[C@H]1[NH3+] ZINC000720749115 712863553 /nfs/dbraw/zinc/86/35/53/712863553.db2.gz TVCAKMAQDFRQDA-SNVBAGLBSA-N 1 0 216.288 1.127 10 30 BDEERO Cc1ccnc(N[C@@H]2C[NH2+]C[C@H]2C)c1C#N ZINC000721904770 710689527 /nfs/dbraw/zinc/68/95/27/710689527.db2.gz ROKJVJRMYUZYHU-MWLCHTKSSA-N 1 0 216.288 1.282 10 30 BDEERO Cc1nc(N[C@H]2C[NH2+]CC2(C)C)ccc1C#N ZINC000721982571 710695286 /nfs/dbraw/zinc/69/52/86/710695286.db2.gz MMAGLIZRCLFDLB-NSHDSACASA-N 1 0 230.315 1.672 10 30 BDEERO C#CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723620471 711526861 /nfs/dbraw/zinc/52/68/61/711526861.db2.gz GWOBWTIALNTOHC-FRRDWIJNSA-N 1 0 207.317 1.805 10 30 BDEERO N#Cc1cccnc1N1CC[C@H](CC[NH3+])C1 ZINC000723683625 711533698 /nfs/dbraw/zinc/53/36/98/711533698.db2.gz RRMTXXJHMPVABD-JTQLQIEISA-N 1 0 216.288 1.128 10 30 BDEERO Cc1ccnc(N2CC[C@H](CC[NH3+])C2)c1C#N ZINC000723683661 711534246 /nfs/dbraw/zinc/53/42/46/711534246.db2.gz SMHDGLSKAIRHTJ-NSHDSACASA-N 1 0 230.315 1.437 10 30 BDEERO CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000705522828 712132505 /nfs/dbraw/zinc/13/25/05/712132505.db2.gz AEWIBGASTTWNOJ-CQLXCSJHSA-N 1 0 222.332 1.962 10 30 BDEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000709917042 712232805 /nfs/dbraw/zinc/23/28/05/712232805.db2.gz VGCLBQAVKGKPSK-MWLCHTKSSA-N 1 0 221.329 1.967 10 30 BDEERO CCC1([NH3+])CCN(c2nccc(C)c2C#N)CC1 ZINC000714752153 712497291 /nfs/dbraw/zinc/49/72/91/712497291.db2.gz QANSHBMKHXDCBS-UHFFFAOYSA-N 1 0 244.342 1.969 10 30 BDEERO N#Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC000715146210 712512321 /nfs/dbraw/zinc/51/23/21/712512321.db2.gz KJUHJBGANYCDEE-AOOOYVTPSA-N 1 0 219.263 1.847 10 30 BDEERO C#CC[C@H](COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000716338941 712555556 /nfs/dbraw/zinc/55/55/56/712555556.db2.gz BDTSQXTZWGXBPQ-GHMZBOCLSA-N 1 0 213.321 1.021 10 30 BDEERO C#CC[C@H](COC)[NH2+]CCc1ccccc1 ZINC000716928186 712596724 /nfs/dbraw/zinc/59/67/24/712596724.db2.gz FUZRURVQWKBSQG-CQSZACIVSA-N 1 0 217.312 1.857 10 30 BDEERO C=C(C)C(=O)O[C@@H](C)C[N+](C)(CC)CC ZINC000038632720 717126081 /nfs/dbraw/zinc/12/60/81/717126081.db2.gz HYNNEDVXIRTMTN-NSHDSACASA-N 1 0 214.329 1.981 10 30 BDEERO CC(=O)Nc1ccc(C(=O)C[N+](C)(C)C)cc1 ZINC000005160726 717099174 /nfs/dbraw/zinc/09/91/74/717099174.db2.gz OTJSVSVBJKDQRI-UHFFFAOYSA-O 1 0 235.307 1.534 10 30 BDEERO C#CCOC(=O)C[N+](C)(C)C/C=C(\C)Cl ZINC000033792432 717121873 /nfs/dbraw/zinc/12/18/73/717121873.db2.gz SHEFIUKJUIEBSD-UXBLZVDNSA-N 1 0 230.715 1.382 10 30 BDEERO