smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000034416675 355890931 /nfs/dbraw/zinc/89/09/31/355890931.db2.gz XSRNJSWHAHFPKB-CYBMUJFWSA-N 1 1 225.335 4.019 20 30 BIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000045003309 491074852 /nfs/dbraw/zinc/07/48/52/491074852.db2.gz TZUJXXGQPFXKKP-LBPRGKRZSA-N 1 1 229.323 4.002 20 30 BIEDMO C=C(C)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000045003310 491074860 /nfs/dbraw/zinc/07/48/60/491074860.db2.gz TZUJXXGQPFXKKP-GFCCVEGCSA-N 1 1 229.323 4.002 20 30 BIEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000058523994 360051811 /nfs/dbraw/zinc/05/18/11/360051811.db2.gz SNKQRKDQGNPZFP-SJORKVTESA-N 1 1 243.394 4.221 20 30 BIEDMO C=C(C)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061254916 411151329 /nfs/dbraw/zinc/15/13/29/411151329.db2.gz AGUANKIRMPQPDM-UHFFFAOYSA-N 1 1 237.774 4.127 20 30 BIEDMO C=C(C)C[N@H+](CC)Cc1cccc2ccccc21 ZINC000061758663 360396971 /nfs/dbraw/zinc/39/69/71/360396971.db2.gz FJCCFJDKQIEKRQ-UHFFFAOYSA-N 1 1 239.362 4.238 20 30 BIEDMO C=CC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000061784026 368570382 /nfs/dbraw/zinc/57/03/82/368570382.db2.gz CSWLBDXIMJNJIA-UHFFFAOYSA-N 1 1 247.357 4.146 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619543 363912490 /nfs/dbraw/zinc/91/24/90/363912490.db2.gz MDYHPEVIHLCUKB-INIZCTEOSA-N 1 1 229.367 4.016 20 30 BIEDMO C=C(C)C[N@H+](CCCC)Cc1ccccc1F ZINC000063755242 356423588 /nfs/dbraw/zinc/42/35/88/356423588.db2.gz PKHCWPPAKRVQFU-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762481 368596881 /nfs/dbraw/zinc/59/68/81/368596881.db2.gz FDIODKSRKUULDB-UHFFFAOYSA-N 1 1 249.357 4.115 20 30 BIEDMO C=CC[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064348756 368603862 /nfs/dbraw/zinc/60/38/62/368603862.db2.gz WCOAZPBZFPIFDP-GFCCVEGCSA-N 1 1 229.323 4.002 20 30 BIEDMO C=CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637275 368609660 /nfs/dbraw/zinc/60/96/60/368609660.db2.gz AJVDSPDOQXBKSI-QGZVFWFLSA-N 1 1 237.346 4.163 20 30 BIEDMO C=CC[N@H+](CCC)[C@H](C)c1cc2ccccc2o1 ZINC000064940671 368615581 /nfs/dbraw/zinc/61/55/81/368615581.db2.gz YZZOXUSFYQMAQE-CYBMUJFWSA-N 1 1 243.350 4.392 20 30 BIEDMO C=CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000071959271 166346862 /nfs/dbraw/zinc/34/68/62/166346862.db2.gz RYQIZFZGOYNZCB-UHFFFAOYSA-N 1 1 249.785 4.271 20 30 BIEDMO C=CC[N@H+](Cc1ccccc1F)CC1CCCC1 ZINC000071996777 344475968 /nfs/dbraw/zinc/47/59/68/344475968.db2.gz YTZMWRKOICZYOP-UHFFFAOYSA-N 1 1 247.357 4.004 20 30 BIEDMO N#CCCCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968435 359248033 /nfs/dbraw/zinc/24/80/33/359248033.db2.gz OPSAPFAJOVTQHL-UHFFFAOYSA-N 1 1 248.414 4.117 20 30 BIEDMO CCC(CC)C[N@@H+](CC)CCCC(C)(C)C#N ZINC000087608555 383853537 /nfs/dbraw/zinc/85/35/37/383853537.db2.gz ZGHBBFZQLOCAQO-UHFFFAOYSA-N 1 1 238.419 4.074 20 30 BIEDMO CCCCC[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000087608613 256572306 /nfs/dbraw/zinc/57/23/06/256572306.db2.gz AQVKWICARVUWRO-UHFFFAOYSA-N 1 1 238.419 4.217 20 30 BIEDMO CCC(CC)[N@@H+](CCC(C)(C)C#N)CC(C)C ZINC000093309018 386023218 /nfs/dbraw/zinc/02/32/18/386023218.db2.gz BOBQBGSEVGSTRB-UHFFFAOYSA-N 1 1 238.419 4.073 20 30 BIEDMO CCC1CCC([N@@H+](CCCCC#N)C2CC2)CC1 ZINC000102397604 136273705 /nfs/dbraw/zinc/27/37/05/136273705.db2.gz MPMQXAWMXPITML-UHFFFAOYSA-N 1 1 248.414 4.113 20 30 BIEDMO N#CCCCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000102399986 367981833 /nfs/dbraw/zinc/98/18/33/367981833.db2.gz MYMREKKJYMTQMS-INIZCTEOSA-N 1 1 248.414 4.115 20 30 BIEDMO N#CCCCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000102399988 367981651 /nfs/dbraw/zinc/98/16/51/367981651.db2.gz MYMREKKJYMTQMS-MRXNPFEDSA-N 1 1 248.414 4.115 20 30 BIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCCC#N ZINC000112699282 135026686 /nfs/dbraw/zinc/02/66/86/135026686.db2.gz HYJJHJGDSRNUKT-INIZCTEOSA-N 1 1 244.382 4.009 20 30 BIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCCC#N ZINC000112699283 535168847 /nfs/dbraw/zinc/16/88/47/535168847.db2.gz HYJJHJGDSRNUKT-MRXNPFEDSA-N 1 1 244.382 4.009 20 30 BIEDMO CCC(CC)C[N@@H+](CC)CC(C)(C)CCC#N ZINC000119806950 387147050 /nfs/dbraw/zinc/14/70/50/387147050.db2.gz PJTKUQXXLCRUFK-UHFFFAOYSA-N 1 1 238.419 4.074 20 30 BIEDMO CCCC[N@@H+](CCCC#N)[C@@H](C)c1ccccc1 ZINC000123354026 387687502 /nfs/dbraw/zinc/68/75/02/387687502.db2.gz GKRQYBRHCCBMBN-HNNXBMFYSA-N 1 1 244.382 4.153 20 30 BIEDMO CCCC[N@@H+](CCCC#N)[C@H](C)c1ccccc1 ZINC000123354254 168805374 /nfs/dbraw/zinc/80/53/74/168805374.db2.gz GKRQYBRHCCBMBN-OAHLLOKOSA-N 1 1 244.382 4.153 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000129412497 591292906 /nfs/dbraw/zinc/29/29/06/591292906.db2.gz NSKLNXVNMXKTHC-AWEZNQCLSA-N 1 1 234.387 4.045 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000129412733 591292891 /nfs/dbraw/zinc/29/28/91/591292891.db2.gz NSKLNXVNMXKTHC-CQSZACIVSA-N 1 1 234.387 4.045 20 30 BIEDMO C=CCC[C@H](C)Nc1cccc2cc[nH+]cc21 ZINC000130655412 343181913 /nfs/dbraw/zinc/18/19/13/343181913.db2.gz XXKLYXXIKNYNGO-LBPRGKRZSA-N 1 1 226.323 4.001 20 30 BIEDMO C=CCC[C@@H](C)Nc1cccc2cc[nH+]cc21 ZINC000130655638 343182144 /nfs/dbraw/zinc/18/21/44/343182144.db2.gz XXKLYXXIKNYNGO-GFCCVEGCSA-N 1 1 226.323 4.001 20 30 BIEDMO C=CCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000132458854 324115995 /nfs/dbraw/zinc/11/59/95/324115995.db2.gz JZTVCMYZUXGKDD-LBPRGKRZSA-N 1 1 229.323 4.002 20 30 BIEDMO C=CCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000132459087 325217353 /nfs/dbraw/zinc/21/73/53/325217353.db2.gz JZTVCMYZUXGKDD-GFCCVEGCSA-N 1 1 229.323 4.002 20 30 BIEDMO C=CC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000140685166 398343292 /nfs/dbraw/zinc/34/32/92/398343292.db2.gz WCOAZPBZFPIFDP-LBPRGKRZSA-N 1 1 229.323 4.002 20 30 BIEDMO CCCCC[N@@H+](CC(C)(C)CCC#N)C(C)C ZINC000154364835 326141537 /nfs/dbraw/zinc/14/15/37/326141537.db2.gz JPTHYVBJAVGIPE-UHFFFAOYSA-N 1 1 238.419 4.217 20 30 BIEDMO C=C(Cl)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000163366985 636036795 /nfs/dbraw/zinc/03/67/95/636036795.db2.gz UKPSMPJTOSTHKF-LLVKDONJSA-N 1 1 249.741 4.144 20 30 BIEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174810712 384367596 /nfs/dbraw/zinc/36/75/96/384367596.db2.gz JDUSDHXGJANDEM-AWEZNQCLSA-N 1 1 244.382 4.009 20 30 BIEDMO C[C@H](c1ccccc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174810720 384367357 /nfs/dbraw/zinc/36/73/57/384367357.db2.gz JDUSDHXGJANDEM-CQSZACIVSA-N 1 1 244.382 4.009 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000179673402 642735439 /nfs/dbraw/zinc/73/54/39/642735439.db2.gz MEFSIPIDMDNJDG-AWEZNQCLSA-N 1 1 234.387 4.045 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000179673416 632754133 /nfs/dbraw/zinc/75/41/33/632754133.db2.gz MEFSIPIDMDNJDG-CQSZACIVSA-N 1 1 234.387 4.045 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000180794608 633054344 /nfs/dbraw/zinc/05/43/44/633054344.db2.gz SXRFQOFUJYLJGS-AWEZNQCLSA-N 1 1 234.387 4.045 20 30 BIEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)F)cc1 ZINC000183922811 388572376 /nfs/dbraw/zinc/57/23/76/388572376.db2.gz YWAJYEGDFUOCLA-UHFFFAOYSA-N 1 1 239.309 4.022 20 30 BIEDMO C=CCCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183948900 388572257 /nfs/dbraw/zinc/57/22/57/388572257.db2.gz RIOZTVLEAGZVND-UHFFFAOYSA-N 1 1 239.309 4.022 20 30 BIEDMO N#CCCCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190324682 388649672 /nfs/dbraw/zinc/64/96/72/388649672.db2.gz ABISISHOYRRZFO-UHFFFAOYSA-N 1 1 248.414 4.117 20 30 BIEDMO C=CC[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000212614653 343246603 /nfs/dbraw/zinc/24/66/03/343246603.db2.gz XSRNJSWHAHFPKB-ZDUSSCGKSA-N 1 1 225.335 4.019 20 30 BIEDMO CC(C)C[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC000232581408 388852997 /nfs/dbraw/zinc/85/29/97/388852997.db2.gz HFYUWUIDOWKUBR-UHFFFAOYSA-N 1 1 238.419 4.073 20 30 BIEDMO CC[C@@H](C)C[N@@H+](CC)CCCCC(C)(C)C#N ZINC000233822355 259663984 /nfs/dbraw/zinc/66/39/84/259663984.db2.gz NOOSNDMPZLVJOK-CQSZACIVSA-N 1 1 238.419 4.074 20 30 BIEDMO CC[C@H](C)C[N@@H+](CC)CCCCC(C)(C)C#N ZINC000234002923 388351494 /nfs/dbraw/zinc/35/14/94/388351494.db2.gz NOOSNDMPZLVJOK-AWEZNQCLSA-N 1 1 238.419 4.074 20 30 BIEDMO C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C(C)(C)C ZINC000235167749 342988703 /nfs/dbraw/zinc/98/87/03/342988703.db2.gz ILNWUPSTFGVQHY-CYBMUJFWSA-N 1 1 238.419 4.073 20 30 BIEDMO C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C(C)(C)C ZINC000235467115 343038900 /nfs/dbraw/zinc/03/89/00/343038900.db2.gz ILNWUPSTFGVQHY-ZDUSSCGKSA-N 1 1 238.419 4.073 20 30 BIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCCCC#N ZINC000263841100 135128378 /nfs/dbraw/zinc/12/83/78/135128378.db2.gz YGGOBKDKZVJWDV-INIZCTEOSA-N 1 1 244.382 4.153 20 30 BIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCCCC#N ZINC000263841103 135128844 /nfs/dbraw/zinc/12/88/44/135128844.db2.gz YGGOBKDKZVJWDV-MRXNPFEDSA-N 1 1 244.382 4.153 20 30 BIEDMO CC(C)[N@@H+](CCCCC#N)[C@@H](C)c1ccccc1 ZINC000292233744 535053256 /nfs/dbraw/zinc/05/32/56/535053256.db2.gz PULUXXJXQCMPGT-HNNXBMFYSA-N 1 1 244.382 4.152 20 30 BIEDMO CC(C)[N@@H+](CCCCC#N)[C@H](C)c1ccccc1 ZINC000292235482 352309265 /nfs/dbraw/zinc/30/92/65/352309265.db2.gz PULUXXJXQCMPGT-OAHLLOKOSA-N 1 1 244.382 4.152 20 30 BIEDMO C=CC[N@H+](CCCC)Cc1ccc(Cl)s1 ZINC000302831076 323154228 /nfs/dbraw/zinc/15/42/28/323154228.db2.gz ACKAFWIAIQXIGM-UHFFFAOYSA-N 1 1 243.803 4.190 20 30 BIEDMO C=C(C)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000302836514 323154225 /nfs/dbraw/zinc/15/42/25/323154225.db2.gz HAJHZIDGTLSZDT-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=C(C)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000302836514 323154224 /nfs/dbraw/zinc/15/42/24/323154224.db2.gz HAJHZIDGTLSZDT-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000302838571 490606638 /nfs/dbraw/zinc/60/66/38/490606638.db2.gz RRZROBDNKLTRDH-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000302839418 644786760 /nfs/dbraw/zinc/78/67/60/644786760.db2.gz WYHXRUUVNAKARJ-CYBMUJFWSA-N 1 1 249.785 4.040 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000302839419 644787460 /nfs/dbraw/zinc/78/74/60/644787460.db2.gz WYHXRUUVNAKARJ-ZDUSSCGKSA-N 1 1 249.785 4.040 20 30 BIEDMO C=C(C)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000303103455 526575063 /nfs/dbraw/zinc/57/50/63/526575063.db2.gz IPALZOHFYIFAFW-GFCCVEGCSA-N 1 1 249.785 4.442 20 30 BIEDMO C=C(C)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000303103456 526575139 /nfs/dbraw/zinc/57/51/39/526575139.db2.gz IPALZOHFYIFAFW-LBPRGKRZSA-N 1 1 249.785 4.442 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000303547098 644831193 /nfs/dbraw/zinc/83/11/93/644831193.db2.gz VDRARZYZUFRSNF-AWEZNQCLSA-N 1 1 237.774 4.068 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000303547099 644830124 /nfs/dbraw/zinc/83/01/24/644830124.db2.gz VDRARZYZUFRSNF-CQSZACIVSA-N 1 1 237.774 4.068 20 30 BIEDMO CCCCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000303729889 388859754 /nfs/dbraw/zinc/85/97/54/388859754.db2.gz UWBZOMRVJWPXOW-AWEZNQCLSA-N 1 1 244.382 4.131 20 30 BIEDMO CCCCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000303729891 259658703 /nfs/dbraw/zinc/65/87/03/259658703.db2.gz UWBZOMRVJWPXOW-CQSZACIVSA-N 1 1 244.382 4.131 20 30 BIEDMO C=C(C)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000303751041 369434398 /nfs/dbraw/zinc/43/43/98/369434398.db2.gz LTAJVANHILQUIM-AWEZNQCLSA-N 1 1 233.355 4.081 20 30 BIEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303751042 369434859 /nfs/dbraw/zinc/43/48/59/369434859.db2.gz LTAJVANHILQUIM-CQSZACIVSA-N 1 1 233.355 4.081 20 30 BIEDMO C=CC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000303805636 323160041 /nfs/dbraw/zinc/16/00/41/323160041.db2.gz HMTNRXWHKGCJGN-AWEZNQCLSA-N 1 1 229.367 4.036 20 30 BIEDMO C=CC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000303805638 323159980 /nfs/dbraw/zinc/15/99/80/323159980.db2.gz HMTNRXWHKGCJGN-CQSZACIVSA-N 1 1 229.367 4.036 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303834944 323160465 /nfs/dbraw/zinc/16/04/65/323160465.db2.gz ALOHTKJOTJVICD-INIZCTEOSA-N 1 1 229.367 4.016 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303834946 323160503 /nfs/dbraw/zinc/16/05/03/323160503.db2.gz ALOHTKJOTJVICD-MRXNPFEDSA-N 1 1 229.367 4.016 20 30 BIEDMO C=C(C)C[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000303850548 323160859 /nfs/dbraw/zinc/16/08/59/323160859.db2.gz OHQASKJDSXHNBU-HNNXBMFYSA-N 1 1 243.394 4.426 20 30 BIEDMO C=C(C)C[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000303850549 323160872 /nfs/dbraw/zinc/16/08/72/323160872.db2.gz OHQASKJDSXHNBU-OAHLLOKOSA-N 1 1 243.394 4.426 20 30 BIEDMO C=C(C)C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000303928285 369445116 /nfs/dbraw/zinc/44/51/16/369445116.db2.gz QAZVJIFRKBIMEK-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=C(C)C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000303928288 369445047 /nfs/dbraw/zinc/44/50/47/369445047.db2.gz QAZVJIFRKBIMEK-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO CCCC[C@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000310188160 398054518 /nfs/dbraw/zinc/05/45/18/398054518.db2.gz ZCQLJTBZEYULSY-AWEZNQCLSA-N 1 1 238.419 4.217 20 30 BIEDMO CCCC[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000310188161 398053996 /nfs/dbraw/zinc/05/39/96/398053996.db2.gz ZCQLJTBZEYULSY-CQSZACIVSA-N 1 1 238.419 4.217 20 30 BIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC12CCCC2 ZINC000310876109 347315090 /nfs/dbraw/zinc/31/50/90/347315090.db2.gz VIALOFSCXXRCMO-UHFFFAOYSA-N 1 1 248.414 4.115 20 30 BIEDMO CCC[N@@H+](CCCC#N)[C@@H](CC)c1ccccc1 ZINC000346569596 354971854 /nfs/dbraw/zinc/97/18/54/354971854.db2.gz BVQXGKFVWGKYCK-INIZCTEOSA-N 1 1 244.382 4.153 20 30 BIEDMO CCC[N@@H+](CCCC#N)[C@H](CC)c1ccccc1 ZINC000346569599 354971995 /nfs/dbraw/zinc/97/19/95/354971995.db2.gz BVQXGKFVWGKYCK-MRXNPFEDSA-N 1 1 244.382 4.153 20 30 BIEDMO CC[C@@H](c1ccccc1)[N@@H+](CCC#N)CC(C)C ZINC000348138788 136038845 /nfs/dbraw/zinc/03/88/45/136038845.db2.gz BGSABYHBTJPHKK-INIZCTEOSA-N 1 1 244.382 4.009 20 30 BIEDMO CC[C@H](c1ccccc1)[N@@H+](CCC#N)CC(C)C ZINC000348138795 136039040 /nfs/dbraw/zinc/03/90/40/136039040.db2.gz BGSABYHBTJPHKK-MRXNPFEDSA-N 1 1 244.382 4.009 20 30 BIEDMO C=CCC[C@H](Nc1cc(C2CC2)cc[nH+]1)C1CC1 ZINC000353562849 134164133 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/nfs/dbraw/zinc/01/25/05/350012505.db2.gz STHPDTLUXGJABF-KRWDZBQOSA-N 1 1 243.394 4.050 20 30 BIEDMO C=CCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000522777084 350012177 /nfs/dbraw/zinc/01/21/77/350012177.db2.gz STHPDTLUXGJABF-QGZVFWFLSA-N 1 1 243.394 4.050 20 30 BIEDMO C=CCCC[N@H+](CCC)Cc1ccc(F)cc1 ZINC000522778142 259414336 /nfs/dbraw/zinc/41/43/36/259414336.db2.gz BXNWBNQPCGHVJG-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000523439169 324206896 /nfs/dbraw/zinc/20/68/96/324206896.db2.gz MSPZCKAITHQHCE-HNNXBMFYSA-N 1 1 231.383 4.262 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000523439170 324207136 /nfs/dbraw/zinc/20/71/36/324207136.db2.gz MSPZCKAITHQHCE-OAHLLOKOSA-N 1 1 231.383 4.262 20 30 BIEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000523440042 324206859 /nfs/dbraw/zinc/20/68/59/324206859.db2.gz ZENXCWPDRLKQEG-CVEARBPZSA-N 1 1 243.394 4.139 20 30 BIEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000523440043 324206766 /nfs/dbraw/zinc/20/67/66/324206766.db2.gz ZENXCWPDRLKQEG-HOTGVXAUSA-N 1 1 243.394 4.139 20 30 BIEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000523440044 324206632 /nfs/dbraw/zinc/20/66/32/324206632.db2.gz ZENXCWPDRLKQEG-HZPDHXFCSA-N 1 1 243.394 4.139 20 30 BIEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000523440045 324207214 /nfs/dbraw/zinc/20/72/14/324207214.db2.gz ZENXCWPDRLKQEG-JKSUJKDBSA-N 1 1 243.394 4.139 20 30 BIEDMO C=CC[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000523447979 388839291 /nfs/dbraw/zinc/83/92/91/388839291.db2.gz DQPDJSRFJNEUSC-AWEZNQCLSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CC[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000523447980 388839233 /nfs/dbraw/zinc/83/92/33/388839233.db2.gz DQPDJSRFJNEUSC-CQSZACIVSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000524811464 388410207 /nfs/dbraw/zinc/41/02/07/388410207.db2.gz KHTHSMJLSLIDHK-AWEZNQCLSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000524811467 259692152 /nfs/dbraw/zinc/69/21/52/259692152.db2.gz KHTHSMJLSLIDHK-CQSZACIVSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000524811744 388410151 /nfs/dbraw/zinc/41/01/51/388410151.db2.gz JAOVWURWIZSAEE-AWEZNQCLSA-N 1 1 233.355 4.081 20 30 BIEDMO C=CCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000524811747 388410714 /nfs/dbraw/zinc/41/07/14/388410714.db2.gz JAOVWURWIZSAEE-CQSZACIVSA-N 1 1 233.355 4.081 20 30 BIEDMO C=CCC[N@H+](CCCC)Cc1ccccc1F ZINC000524811749 388409975 /nfs/dbraw/zinc/40/99/75/388409975.db2.gz JBSNJPMZAKZZNB-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CCC[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000524811987 388410484 /nfs/dbraw/zinc/41/04/84/388410484.db2.gz LCKNGAWBHOUZDV-AWEZNQCLSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000524811992 259692188 /nfs/dbraw/zinc/69/21/88/259692188.db2.gz LCKNGAWBHOUZDV-CQSZACIVSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000524812027 388410236 /nfs/dbraw/zinc/41/02/36/388410236.db2.gz LJGNSCCQTRADNL-UHFFFAOYSA-N 1 1 231.383 4.111 20 30 BIEDMO C=CCC[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000524812063 388410424 /nfs/dbraw/zinc/41/04/24/388410424.db2.gz MLIMYTNPESOZEM-HNNXBMFYSA-N 1 1 231.383 4.426 20 30 BIEDMO C=CCC[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000524812064 388410073 /nfs/dbraw/zinc/41/00/73/388410073.db2.gz MLIMYTNPESOZEM-OAHLLOKOSA-N 1 1 231.383 4.426 20 30 BIEDMO C=CC[N@H+](CCC(F)(F)F)CC1CCCCC1 ZINC000524907070 388412760 /nfs/dbraw/zinc/41/27/60/388412760.db2.gz RUOUJTSHBRPEMX-UHFFFAOYSA-N 1 1 249.320 4.007 20 30 BIEDMO C=CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000525328100 388425815 /nfs/dbraw/zinc/42/58/15/388425815.db2.gz XEXGWJRHDMZNHI-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000525329038 388426537 /nfs/dbraw/zinc/42/65/37/388426537.db2.gz WPRHJTUMFGXQKA-AWEZNQCLSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000525329039 388427085 /nfs/dbraw/zinc/42/70/85/388427085.db2.gz WPRHJTUMFGXQKA-CQSZACIVSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000525329159 388426916 /nfs/dbraw/zinc/42/69/16/388426916.db2.gz GPLZVXOMGVUGPL-INIZCTEOSA-N 1 1 231.383 4.426 20 30 BIEDMO C=CCC[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC000525329160 388426775 /nfs/dbraw/zinc/42/67/75/388426775.db2.gz GPLZVXOMGVUGPL-MRXNPFEDSA-N 1 1 231.383 4.426 20 30 BIEDMO C=CCC[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000525329201 388427073 /nfs/dbraw/zinc/42/70/73/388427073.db2.gz JQRKOIJMDKXQKY-HNNXBMFYSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCC[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000525329202 388426931 /nfs/dbraw/zinc/42/69/31/388426931.db2.gz JQRKOIJMDKXQKY-OAHLLOKOSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCC[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000525329283 388426273 /nfs/dbraw/zinc/42/62/73/388426273.db2.gz RWEHKTFUFFYNCG-CYBMUJFWSA-N 1 1 243.350 4.392 20 30 BIEDMO C=CCC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000525329284 388427042 /nfs/dbraw/zinc/42/70/42/388427042.db2.gz RWEHKTFUFFYNCG-ZDUSSCGKSA-N 1 1 243.350 4.392 20 30 BIEDMO C=CCC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000525409800 388428426 /nfs/dbraw/zinc/42/84/26/388428426.db2.gz PCIVEGDPPPBCGS-HNNXBMFYSA-N 1 1 243.394 4.426 20 30 BIEDMO C=CCC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000525409801 388428340 /nfs/dbraw/zinc/42/83/40/388428340.db2.gz PCIVEGDPPPBCGS-OAHLLOKOSA-N 1 1 243.394 4.426 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000525796958 385939726 /nfs/dbraw/zinc/93/97/26/385939726.db2.gz PIODJXJIVDPUDF-DLBZAZTESA-N 1 1 243.394 4.221 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000525796959 385939764 /nfs/dbraw/zinc/93/97/64/385939764.db2.gz PIODJXJIVDPUDF-IAGOWNOFSA-N 1 1 243.394 4.221 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000525796960 385939486 /nfs/dbraw/zinc/93/94/86/385939486.db2.gz PIODJXJIVDPUDF-IRXDYDNUSA-N 1 1 243.394 4.221 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000525796961 385939406 /nfs/dbraw/zinc/93/94/06/385939406.db2.gz PIODJXJIVDPUDF-SJORKVTESA-N 1 1 243.394 4.221 20 30 BIEDMO C=CC[N@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000526058179 259377958 /nfs/dbraw/zinc/37/79/58/259377958.db2.gz JVCHSTNAKLDNTJ-ARJAWSKDSA-N 1 1 247.769 4.004 20 30 BIEDMO C=CC[N@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000526058180 259377966 /nfs/dbraw/zinc/37/79/66/259377966.db2.gz JVCHSTNAKLDNTJ-ONEGZZNKSA-N 1 1 247.769 4.004 20 30 BIEDMO C=CCC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000531634582 323110834 /nfs/dbraw/zinc/11/08/34/323110834.db2.gz GOMHEOQPKVVYJU-UHFFFAOYSA-N 1 1 235.346 4.002 20 30 BIEDMO C=CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000532736009 323293262 /nfs/dbraw/zinc/29/32/62/323293262.db2.gz ULZBUTDTHMYLRC-UHFFFAOYSA-N 1 1 247.769 4.005 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000532978810 387917081 /nfs/dbraw/zinc/91/70/81/387917081.db2.gz NPDHLVRYGDSKOP-HNNXBMFYSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC000532978811 387917612 /nfs/dbraw/zinc/91/76/12/387917612.db2.gz NPDHLVRYGDSKOP-OAHLLOKOSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000533199822 388016451 /nfs/dbraw/zinc/01/64/51/388016451.db2.gz IXWFVJXMXGKHPL-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000535072630 323165582 /nfs/dbraw/zinc/16/55/82/323165582.db2.gz VOCURPRTPWMVIT-UHFFFAOYSA-N 1 1 247.769 4.005 20 30 BIEDMO C=C(CC)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000539103514 388747852 /nfs/dbraw/zinc/74/78/52/388747852.db2.gz CRSKNYBNSAOKAN-KBPBESRZSA-N 1 1 233.355 4.019 20 30 BIEDMO C=C(CC)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000539103515 388747736 /nfs/dbraw/zinc/74/77/36/388747736.db2.gz CRSKNYBNSAOKAN-KGLIPLIRSA-N 1 1 233.355 4.019 20 30 BIEDMO C=C(CC)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000539103516 388748029 /nfs/dbraw/zinc/74/80/29/388748029.db2.gz CRSKNYBNSAOKAN-UONOGXRCSA-N 1 1 233.355 4.019 20 30 BIEDMO C=C(CC)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000539103517 388747658 /nfs/dbraw/zinc/74/76/58/388747658.db2.gz CRSKNYBNSAOKAN-ZIAGYGMSSA-N 1 1 233.355 4.019 20 30 BIEDMO C=CC[C@@H](C)[C@@H](C)Nc1cccc2cc[nH+]cc21 ZINC000539726691 324855305 /nfs/dbraw/zinc/85/53/05/324855305.db2.gz GGWPOXMVMWLZFL-CHWSQXEVSA-N 1 1 240.350 4.247 20 30 BIEDMO C=CC[C@@H](C)[C@H](C)Nc1cccc2cc[nH+]cc21 ZINC000539726692 388771700 /nfs/dbraw/zinc/77/17/00/388771700.db2.gz GGWPOXMVMWLZFL-OLZOCXBDSA-N 1 1 240.350 4.247 20 30 BIEDMO C=CC[C@H](C)[C@@H](C)Nc1cccc2cc[nH+]cc21 ZINC000539726693 388774039 /nfs/dbraw/zinc/77/40/39/388774039.db2.gz GGWPOXMVMWLZFL-QWHCGFSZSA-N 1 1 240.350 4.247 20 30 BIEDMO C=CC[C@H](C)[C@H](C)Nc1cccc2cc[nH+]cc21 ZINC000539726694 388773848 /nfs/dbraw/zinc/77/38/48/388773848.db2.gz GGWPOXMVMWLZFL-STQMWFEESA-N 1 1 240.350 4.247 20 30 BIEDMO C=C(CC)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000540202390 388800148 /nfs/dbraw/zinc/80/01/48/388800148.db2.gz FGKDKCKCYPTCEN-AWEZNQCLSA-N 1 1 233.355 4.163 20 30 BIEDMO C=C(CC)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000540202393 388799843 /nfs/dbraw/zinc/79/98/43/388799843.db2.gz FGKDKCKCYPTCEN-CQSZACIVSA-N 1 1 233.355 4.163 20 30 BIEDMO C=C(CC)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000540202502 388800732 /nfs/dbraw/zinc/80/07/32/388800732.db2.gz MVEFZVORKLEXOG-AWEZNQCLSA-N 1 1 247.382 4.044 20 30 BIEDMO C=C(CC)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000540202503 388800424 /nfs/dbraw/zinc/80/04/24/388800424.db2.gz MVEFZVORKLEXOG-CQSZACIVSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CC[N@@H+](Cc1cc2ccccc2s1)C1CC1 ZINC000541763185 388867467 /nfs/dbraw/zinc/86/74/67/388867467.db2.gz BALKGYFMIUARPC-UHFFFAOYSA-N 1 1 243.375 4.052 20 30 BIEDMO C=CC[N@@H+](Cc1csc2ccccc12)C1CC1 ZINC000542690125 325042058 /nfs/dbraw/zinc/04/20/58/325042058.db2.gz HMBYGELEAXFMAY-UHFFFAOYSA-N 1 1 243.375 4.052 20 30 BIEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000544142093 325132698 /nfs/dbraw/zinc/13/26/98/325132698.db2.gz LWGBUBBHWBXBAQ-AWEZNQCLSA-N 1 1 244.382 4.107 20 30 BIEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000544142093 325132697 /nfs/dbraw/zinc/13/26/97/325132697.db2.gz LWGBUBBHWBXBAQ-AWEZNQCLSA-N 1 1 244.382 4.107 20 30 BIEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(C(C)C)cc1 ZINC000544142100 325132859 /nfs/dbraw/zinc/13/28/59/325132859.db2.gz LWGBUBBHWBXBAQ-CQSZACIVSA-N 1 1 244.382 4.107 20 30 BIEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(C(C)C)cc1 ZINC000544142100 325132857 /nfs/dbraw/zinc/13/28/57/325132857.db2.gz LWGBUBBHWBXBAQ-CQSZACIVSA-N 1 1 244.382 4.107 20 30 BIEDMO C=CC[NH+](CC=C)[C@H](C)c1ccccc1Cl ZINC000552219563 388682912 /nfs/dbraw/zinc/68/29/12/388682912.db2.gz ZAHXTYLLTHYZHI-GFCCVEGCSA-N 1 1 235.758 4.075 20 30 BIEDMO C=CC[NH+](CC=C)[C@@H](C)c1ccccc1Cl ZINC000552219564 388681359 /nfs/dbraw/zinc/68/13/59/388681359.db2.gz ZAHXTYLLTHYZHI-LBPRGKRZSA-N 1 1 235.758 4.075 20 30 BIEDMO C=CC[N@H+](C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000553652836 388785084 /nfs/dbraw/zinc/78/50/84/388785084.db2.gz FSQNNOOTAXVPFM-SECBINFHSA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@@H+](C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000553652836 388785081 /nfs/dbraw/zinc/78/50/81/388785081.db2.gz FSQNNOOTAXVPFM-SECBINFHSA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000553652837 388784242 /nfs/dbraw/zinc/78/42/42/388784242.db2.gz FSQNNOOTAXVPFM-VIFPVBQESA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000553652837 388784241 /nfs/dbraw/zinc/78/42/41/388784241.db2.gz FSQNNOOTAXVPFM-VIFPVBQESA-N 1 1 244.165 4.172 20 30 BIEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554311001 388809432 /nfs/dbraw/zinc/80/94/32/388809432.db2.gz PSGDCCCTJQPYCD-CYBMUJFWSA-N 1 1 235.396 4.097 20 30 BIEDMO C=C(CC)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311002 388808497 /nfs/dbraw/zinc/80/84/97/388808497.db2.gz PSGDCCCTJQPYCD-ZDUSSCGKSA-N 1 1 235.396 4.097 20 30 BIEDMO C=CCC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000555012735 397988187 /nfs/dbraw/zinc/98/81/87/397988187.db2.gz OHLTUMPSJHGERU-HNNXBMFYSA-N 1 1 235.346 4.031 20 30 BIEDMO C=CCC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000555012750 397988577 /nfs/dbraw/zinc/98/85/77/397988577.db2.gz OHLTUMPSJHGERU-OAHLLOKOSA-N 1 1 235.346 4.031 20 30 BIEDMO C=C(C)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000558072901 385295376 /nfs/dbraw/zinc/29/53/76/385295376.db2.gz OPQFADZOESMQSC-UHFFFAOYSA-N 1 1 247.357 4.146 20 30 BIEDMO C=CCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000558827583 398215297 /nfs/dbraw/zinc/21/52/97/398215297.db2.gz CEDYMWICJPXWLC-UHFFFAOYSA-N 1 1 247.769 4.005 20 30 BIEDMO C=C(CC)C[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000561958161 323009354 /nfs/dbraw/zinc/00/93/54/323009354.db2.gz LHUPTYXARSNFNN-HNNXBMFYSA-N 1 1 247.382 4.044 20 30 BIEDMO C=C(CC)C[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000561958162 323009323 /nfs/dbraw/zinc/00/93/23/323009323.db2.gz LHUPTYXARSNFNN-OAHLLOKOSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000561960436 385184139 /nfs/dbraw/zinc/18/41/39/385184139.db2.gz SGLCERHDLRUJKZ-HNNXBMFYSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000561960437 385185348 /nfs/dbraw/zinc/18/53/48/385185348.db2.gz SGLCERHDLRUJKZ-OAHLLOKOSA-N 1 1 247.382 4.044 20 30 BIEDMO C=C(C)CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000564157953 324181290 /nfs/dbraw/zinc/18/12/90/324181290.db2.gz UUCYNIPMPKIBTH-TXEJJXNPSA-N 1 1 249.320 4.006 20 30 BIEDMO C=CCCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000564314035 325327180 /nfs/dbraw/zinc/32/71/80/325327180.db2.gz BCQGIODKJLBFFX-CYBMUJFWSA-N 1 1 235.396 4.097 20 30 BIEDMO C=CCCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000564314040 325327687 /nfs/dbraw/zinc/32/76/87/325327687.db2.gz BCQGIODKJLBFFX-ZDUSSCGKSA-N 1 1 235.396 4.097 20 30 BIEDMO C=CCCC[N@H+](CC)Cc1ccccc1Cl ZINC000568135488 326311688 /nfs/dbraw/zinc/31/16/88/326311688.db2.gz YZKYHZFTOIWMDO-UHFFFAOYSA-N 1 1 237.774 4.128 20 30 BIEDMO C=C(C)CC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000571121037 323136144 /nfs/dbraw/zinc/13/61/44/323136144.db2.gz GVYHEEFAEDRJGU-INIZCTEOSA-N 1 1 247.382 4.044 20 30 BIEDMO C=C(C)CC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000571121039 323136156 /nfs/dbraw/zinc/13/61/56/323136156.db2.gz GVYHEEFAEDRJGU-MRXNPFEDSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCCCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000571830265 387179845 /nfs/dbraw/zinc/17/98/45/387179845.db2.gz SKZOCGXUKHDTOM-UHFFFAOYSA-N 1 1 245.357 4.243 20 30 BIEDMO C=CCCCCC[N@@H+](Cc1ccccn1)C(C)C ZINC000573272643 388438326 /nfs/dbraw/zinc/43/83/26/388438326.db2.gz IIJBAFCSZOQBAZ-UHFFFAOYSA-N 1 1 246.398 4.038 20 30 BIEDMO CCC(CC)[N@@H+](CC)CCCCC(C)(C)C#N ZINC000576617870 365639266 /nfs/dbraw/zinc/63/92/66/365639266.db2.gz ITOBZEVQSSNFPY-UHFFFAOYSA-N 1 1 238.419 4.217 20 30 BIEDMO C=CCCCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000581719617 367782977 /nfs/dbraw/zinc/78/29/77/367782977.db2.gz NOHICPIMHJQTKA-GFCCVEGCSA-N 1 1 249.320 4.007 20 30 BIEDMO C=CCCCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000581719618 367782846 /nfs/dbraw/zinc/78/28/46/367782846.db2.gz NOHICPIMHJQTKA-LBPRGKRZSA-N 1 1 249.320 4.007 20 30 BIEDMO CCCC[N@@H+](CCCCC#N)C1CCCCC1 ZINC000582075300 347177294 /nfs/dbraw/zinc/17/72/94/347177294.db2.gz RKVODHQGLCHVLW-UHFFFAOYSA-N 1 1 236.403 4.115 20 30 BIEDMO C=C(C)CC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000582128519 344941236 /nfs/dbraw/zinc/94/12/36/344941236.db2.gz SPLBLUMJCQWMDL-HNNXBMFYSA-N 1 1 247.382 4.044 20 30 BIEDMO C=C(C)CC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000582128520 344941377 /nfs/dbraw/zinc/94/13/77/344941377.db2.gz SPLBLUMJCQWMDL-OAHLLOKOSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCC[C@@H](Nc1cc(C)cc[nH+]1)c1ccco1 ZINC000582137882 350932932 /nfs/dbraw/zinc/93/29/32/350932932.db2.gz FUKVEYKSMUWWFK-CYBMUJFWSA-N 1 1 242.322 4.102 20 30 BIEDMO C=CCC[C@H](Nc1cc(C)cc[nH+]1)c1ccco1 ZINC000582137883 350932876 /nfs/dbraw/zinc/93/28/76/350932876.db2.gz FUKVEYKSMUWWFK-ZDUSSCGKSA-N 1 1 242.322 4.102 20 30 BIEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000582199346 355731184 /nfs/dbraw/zinc/73/11/84/355731184.db2.gz UKOVUHHWVAMBCC-CYBMUJFWSA-N 1 1 235.396 4.097 20 30 BIEDMO C=C(C)CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000582199347 355731396 /nfs/dbraw/zinc/73/13/96/355731396.db2.gz UKOVUHHWVAMBCC-ZDUSSCGKSA-N 1 1 235.396 4.097 20 30 BIEDMO C=CCCCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000583674577 356680134 /nfs/dbraw/zinc/68/01/34/356680134.db2.gz AJNQRORVTRDRMJ-UHFFFAOYSA-N 1 1 249.320 4.007 20 30 BIEDMO C=C(CC)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000584744092 358165429 /nfs/dbraw/zinc/16/54/29/358165429.db2.gz NGZPPASZYAWPCT-TXEJJXNPSA-N 1 1 249.320 4.006 20 30 BIEDMO CC[C@@H](c1ccccc1)[N@@H+](CCCC#N)C(C)C ZINC000595856602 348357390 /nfs/dbraw/zinc/35/73/90/348357390.db2.gz KKQOYARRZTVTBJ-INIZCTEOSA-N 1 1 244.382 4.152 20 30 BIEDMO CC[C@H](c1ccccc1)[N@@H+](CCCC#N)C(C)C ZINC000595856603 348357935 /nfs/dbraw/zinc/35/79/35/348357935.db2.gz KKQOYARRZTVTBJ-MRXNPFEDSA-N 1 1 244.382 4.152 20 30 BIEDMO CCCCC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000595872557 348386046 /nfs/dbraw/zinc/38/60/46/348386046.db2.gz VJHASVIHRGVIPL-HNNXBMFYSA-N 1 1 236.403 4.115 20 30 BIEDMO CCCCC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000595872569 348386258 /nfs/dbraw/zinc/38/62/58/348386258.db2.gz VJHASVIHRGVIPL-OAHLLOKOSA-N 1 1 236.403 4.115 20 30 BIEDMO CCCC[N@@H+](CCCC#N)[C@@H](C)c1ccc(C)o1 ZINC000604493571 398105681 /nfs/dbraw/zinc/10/56/81/398105681.db2.gz ICSDUVYGQILKDN-AWEZNQCLSA-N 1 1 248.370 4.055 20 30 BIEDMO CCCC[N@@H+](CCCC#N)[C@H](C)c1ccc(C)o1 ZINC000604493572 398105890 /nfs/dbraw/zinc/10/58/90/398105890.db2.gz ICSDUVYGQILKDN-CQSZACIVSA-N 1 1 248.370 4.055 20 30 BIEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000605149619 350258546 /nfs/dbraw/zinc/25/85/46/350258546.db2.gz GBQVGLQMVWSIFK-HNNXBMFYSA-N 1 1 231.383 4.253 20 30 BIEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000605149620 350258216 /nfs/dbraw/zinc/25/82/16/350258216.db2.gz GBQVGLQMVWSIFK-OAHLLOKOSA-N 1 1 231.383 4.253 20 30 BIEDMO C=CCCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000605149649 350258740 /nfs/dbraw/zinc/25/87/40/350258740.db2.gz JYZQVZNCONNAGO-UHFFFAOYSA-N 1 1 239.362 4.238 20 30 BIEDMO C=CCCC[N@H+](CC)Cc1ccc(Cl)s1 ZINC000605149653 350258678 /nfs/dbraw/zinc/25/86/78/350258678.db2.gz LALXLWSAHCPFBK-UHFFFAOYSA-N 1 1 243.803 4.190 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000605149787 350258742 /nfs/dbraw/zinc/25/87/42/350258742.db2.gz RSTUFQSLBGNAAK-HNNXBMFYSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000605149788 350258152 /nfs/dbraw/zinc/25/81/52/350258152.db2.gz RSTUFQSLBGNAAK-OAHLLOKOSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000605149798 350258112 /nfs/dbraw/zinc/25/81/12/350258112.db2.gz UDHXOXYKVAUWMW-CYBMUJFWSA-N 1 1 243.350 4.392 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000605149799 350259037 /nfs/dbraw/zinc/25/90/37/350259037.db2.gz UDHXOXYKVAUWMW-ZDUSSCGKSA-N 1 1 243.350 4.392 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000605149811 350259202 /nfs/dbraw/zinc/25/92/02/350259202.db2.gz WBYRWKDSBIKTCR-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000605149812 350259366 /nfs/dbraw/zinc/25/93/66/350259366.db2.gz WBYRWKDSBIKTCR-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000605149865 350259500 /nfs/dbraw/zinc/25/95/00/350259500.db2.gz HYRIILIJSOBVBW-UHFFFAOYSA-N 1 1 237.774 4.128 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000605149925 350259457 /nfs/dbraw/zinc/25/94/57/350259457.db2.gz QFWFMCIMMDWHNG-AWEZNQCLSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000605149926 350258872 /nfs/dbraw/zinc/25/88/72/350258872.db2.gz QFWFMCIMMDWHNG-CQSZACIVSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCC[N@H+]1CCc2sccc2[C@H]1CC ZINC000605149961 350259117 /nfs/dbraw/zinc/25/91/17/350259117.db2.gz WMENDKZJBAJSTF-CYBMUJFWSA-N 1 1 235.396 4.024 20 30 BIEDMO C=CCCC[N@H+]1CCc2sccc2[C@@H]1CC ZINC000605149962 350258972 /nfs/dbraw/zinc/25/89/72/350258972.db2.gz WMENDKZJBAJSTF-ZDUSSCGKSA-N 1 1 235.396 4.024 20 30 BIEDMO C=CCCC[N@H+](C)Cc1csc2ccccc12 ZINC000605149966 350259193 /nfs/dbraw/zinc/25/91/93/350259193.db2.gz XJIYVIWAGZRLEO-UHFFFAOYSA-N 1 1 245.391 4.299 20 30 BIEDMO C=CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000605149995 350259321 /nfs/dbraw/zinc/25/93/21/350259321.db2.gz CLDADYZHBYGFAB-UHFFFAOYSA-N 1 1 249.785 4.271 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000605149996 350259433 /nfs/dbraw/zinc/25/94/33/350259433.db2.gz COSOGRDPOAUBQS-GFCCVEGCSA-N 1 1 237.774 4.299 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000605149997 350259506 /nfs/dbraw/zinc/25/95/06/350259506.db2.gz COSOGRDPOAUBQS-LBPRGKRZSA-N 1 1 237.774 4.299 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000605149998 350259347 /nfs/dbraw/zinc/25/93/47/350259347.db2.gz CUGCKAGRHXSIRH-HNNXBMFYSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000605149999 350259533 /nfs/dbraw/zinc/25/95/33/350259533.db2.gz CUGCKAGRHXSIRH-OAHLLOKOSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000605150029 350258942 /nfs/dbraw/zinc/25/89/42/350258942.db2.gz GEQFXEFHDOQVAA-UHFFFAOYSA-N 1 1 237.412 4.233 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000605150051 350258841 /nfs/dbraw/zinc/25/88/41/350258841.db2.gz IPBINNYSISROCC-GFCCVEGCSA-N 1 1 237.774 4.299 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000605150052 350259557 /nfs/dbraw/zinc/25/95/57/350259557.db2.gz IPBINNYSISROCC-LBPRGKRZSA-N 1 1 237.774 4.299 20 30 BIEDMO C=CCCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000605150071 350259602 /nfs/dbraw/zinc/25/96/02/350259602.db2.gz LPDLAQYGNNDDNY-UHFFFAOYSA-N 1 1 235.346 4.002 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000605150097 350259088 /nfs/dbraw/zinc/25/90/88/350259088.db2.gz QERBATJHEPPCON-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000605150098 350259232 /nfs/dbraw/zinc/25/92/32/350259232.db2.gz QERBATJHEPPCON-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000605150137 350259984 /nfs/dbraw/zinc/25/99/84/350259984.db2.gz XIBMZYIRLZBPAZ-HNNXBMFYSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000605150138 350260010 /nfs/dbraw/zinc/26/00/10/350260010.db2.gz XIBMZYIRLZBPAZ-OAHLLOKOSA-N 1 1 249.785 4.443 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000605150143 350260331 /nfs/dbraw/zinc/26/03/31/350260331.db2.gz XUKRDPFCJAIUEP-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000605150144 350260393 /nfs/dbraw/zinc/26/03/93/350260393.db2.gz XUKRDPFCJAIUEP-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000605150145 350260591 /nfs/dbraw/zinc/26/05/91/350260591.db2.gz XXLQPXJAMNRGCZ-HNNXBMFYSA-N 1 1 231.383 4.262 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000605150146 350260076 /nfs/dbraw/zinc/26/00/76/350260076.db2.gz XXLQPXJAMNRGCZ-OAHLLOKOSA-N 1 1 231.383 4.262 20 30 BIEDMO C=CCCC[N@H+](CCC)Cc1ccccc1F ZINC000605150185 350260113 /nfs/dbraw/zinc/26/01/13/350260113.db2.gz HCPLWOOUTZNWEC-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CCCC[N@@H+](Cc1ccccc1F)C(C)C ZINC000605150206 350260417 /nfs/dbraw/zinc/26/04/17/350260417.db2.gz JWIWCBPGJDQSIE-UHFFFAOYSA-N 1 1 235.346 4.002 20 30 BIEDMO C=CCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000605150406 350260155 /nfs/dbraw/zinc/26/01/55/350260155.db2.gz WEXRVSQDGIINNP-KRWDZBQOSA-N 1 1 243.394 4.222 20 30 BIEDMO C=CCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000605150407 350260140 /nfs/dbraw/zinc/26/01/40/350260140.db2.gz WEXRVSQDGIINNP-QGZVFWFLSA-N 1 1 243.394 4.222 20 30 BIEDMO C=CCCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000605150783 350261652 /nfs/dbraw/zinc/26/16/52/350261652.db2.gz CSQAHWGJUDFPOC-AWEZNQCLSA-N 1 1 249.785 4.096 20 30 BIEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000605150784 350261094 /nfs/dbraw/zinc/26/10/94/350261094.db2.gz CSQAHWGJUDFPOC-CQSZACIVSA-N 1 1 249.785 4.096 20 30 BIEDMO C=CCCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000605150929 350262404 /nfs/dbraw/zinc/26/24/04/350262404.db2.gz GAKGWJARCYSRRW-UHFFFAOYSA-N 1 1 249.373 4.046 20 30 BIEDMO C=CCCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000605150932 350261949 /nfs/dbraw/zinc/26/19/49/350261949.db2.gz GLCFCKXAFFXFPL-UHFFFAOYSA-N 1 1 247.357 4.004 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000605150964 350262241 /nfs/dbraw/zinc/26/22/41/350262241.db2.gz LUOBTUBVRKKQQV-INIZCTEOSA-N 1 1 231.383 4.282 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000605150965 350262133 /nfs/dbraw/zinc/26/21/33/350262133.db2.gz LUOBTUBVRKKQQV-MRXNPFEDSA-N 1 1 231.383 4.282 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000605151000 350262070 /nfs/dbraw/zinc/26/20/70/350262070.db2.gz SQYIYWAYLJNJGF-KRWDZBQOSA-N 1 1 243.394 4.006 20 30 BIEDMO C=CCCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000605151001 350262339 /nfs/dbraw/zinc/26/23/39/350262339.db2.gz SQYIYWAYLJNJGF-QGZVFWFLSA-N 1 1 243.394 4.006 20 30 BIEDMO C=CC[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000605157159 350262360 /nfs/dbraw/zinc/26/23/60/350262360.db2.gz SONWJXLBIWOFEZ-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CC[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000605157160 350261873 /nfs/dbraw/zinc/26/18/73/350261873.db2.gz SONWJXLBIWOFEZ-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000605752312 347436293 /nfs/dbraw/zinc/43/62/93/347436293.db2.gz XTFXVNBDGQRWBY-AWEZNQCLSA-N 1 1 233.355 4.163 20 30 BIEDMO C=CCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605752313 347436483 /nfs/dbraw/zinc/43/64/83/347436483.db2.gz XTFXVNBDGQRWBY-CQSZACIVSA-N 1 1 233.355 4.163 20 30 BIEDMO C=CCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000606895847 350621662 /nfs/dbraw/zinc/62/16/62/350621662.db2.gz AHXSGUOPCKURHG-INIZCTEOSA-N 1 1 229.367 4.180 20 30 BIEDMO C=CCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000606895848 350621393 /nfs/dbraw/zinc/62/13/93/350621393.db2.gz AHXSGUOPCKURHG-MRXNPFEDSA-N 1 1 229.367 4.180 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000606895946 350621423 /nfs/dbraw/zinc/62/14/23/350621423.db2.gz IIPPEAFFYKMVBQ-AWEZNQCLSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000606895949 350621357 /nfs/dbraw/zinc/62/13/57/350621357.db2.gz IIPPEAFFYKMVBQ-CQSZACIVSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CCC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000606896007 350621652 /nfs/dbraw/zinc/62/16/52/350621652.db2.gz MZXGTXSTXKNQGO-GFCCVEGCSA-N 1 1 249.785 4.442 20 30 BIEDMO C=CCC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000606896008 350621157 /nfs/dbraw/zinc/62/11/57/350621157.db2.gz MZXGTXSTXKNQGO-LBPRGKRZSA-N 1 1 249.785 4.442 20 30 BIEDMO C=CCC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000606896016 350621778 /nfs/dbraw/zinc/62/17/78/350621778.db2.gz NGBFSLVBWHYETQ-UHFFFAOYSA-N 1 1 237.774 4.127 20 30 BIEDMO C=CCC[N@H+](C)Cc1c2ccccc2oc1CC ZINC000606896279 350621282 /nfs/dbraw/zinc/62/12/82/350621282.db2.gz GNDFUAOCTDKKTF-UHFFFAOYSA-N 1 1 243.350 4.003 20 30 BIEDMO C=CCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000606896364 350621314 /nfs/dbraw/zinc/62/13/14/350621314.db2.gz JFKIQSCAXGSHRH-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000606896514 350621808 /nfs/dbraw/zinc/62/18/08/350621808.db2.gz XPZPYAFZJCUVIE-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000606896997 350621367 /nfs/dbraw/zinc/62/13/67/350621367.db2.gz BEHHQRGBRRPXDK-INIZCTEOSA-N 1 1 229.367 4.016 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000606896998 350621468 /nfs/dbraw/zinc/62/14/68/350621468.db2.gz BEHHQRGBRRPXDK-MRXNPFEDSA-N 1 1 229.367 4.016 20 30 BIEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000606897024 350621630 /nfs/dbraw/zinc/62/16/30/350621630.db2.gz GQWNNAPOLODJQD-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000606897024 350621628 /nfs/dbraw/zinc/62/16/28/350621628.db2.gz GQWNNAPOLODJQD-UHFFFAOYSA-N 1 1 244.165 4.001 20 30 BIEDMO C=CCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000606897043 350621801 /nfs/dbraw/zinc/62/18/01/350621801.db2.gz IRWKHLZKGZBDPL-KRWDZBQOSA-N 1 1 241.378 4.105 20 30 BIEDMO C=CCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000606897044 350621561 /nfs/dbraw/zinc/62/15/61/350621561.db2.gz IRWKHLZKGZBDPL-QGZVFWFLSA-N 1 1 241.378 4.105 20 30 BIEDMO C=CCC[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000606897074 350621644 /nfs/dbraw/zinc/62/16/44/350621644.db2.gz ONMXOYQEQQDHSE-UHFFFAOYSA-N 1 1 239.362 4.238 20 30 BIEDMO C=CCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000606897116 350622831 /nfs/dbraw/zinc/62/28/31/350622831.db2.gz SCASYYPAPKTFCU-UHFFFAOYSA-N 1 1 223.404 4.099 20 30 BIEDMO C=CCC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000606897166 350622785 /nfs/dbraw/zinc/62/27/85/350622785.db2.gz YFWBIPNHKZLYQY-GFCCVEGCSA-N 1 1 249.785 4.442 20 30 BIEDMO C=CCC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000606897167 350622177 /nfs/dbraw/zinc/62/21/77/350622177.db2.gz YFWBIPNHKZLYQY-LBPRGKRZSA-N 1 1 249.785 4.442 20 30 BIEDMO C=CCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000606897497 350622142 /nfs/dbraw/zinc/62/21/42/350622142.db2.gz WFMCJVWVEHLOGS-UHFFFAOYSA-N 1 1 243.394 4.050 20 30 BIEDMO C=CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000606897542 350622170 /nfs/dbraw/zinc/62/21/70/350622170.db2.gz YBUBFARYKJALKK-UHFFFAOYSA-N 1 1 247.357 4.146 20 30 BIEDMO C=CCC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000606897573 350622798 /nfs/dbraw/zinc/62/27/98/350622798.db2.gz ZOZMAFISCUURRV-AWEZNQCLSA-N 1 1 235.371 4.327 20 30 BIEDMO C=CCC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000606897575 350622760 /nfs/dbraw/zinc/62/27/60/350622760.db2.gz ZOZMAFISCUURRV-CQSZACIVSA-N 1 1 235.371 4.327 20 30 BIEDMO C=CCC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000606898118 350624434 /nfs/dbraw/zinc/62/44/34/350624434.db2.gz MAPXCCCUJHFKJS-INIZCTEOSA-N 1 1 231.383 4.200 20 30 BIEDMO C=CCC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000606898119 350624541 /nfs/dbraw/zinc/62/45/41/350624541.db2.gz MAPXCCCUJHFKJS-MRXNPFEDSA-N 1 1 231.383 4.200 20 30 BIEDMO C=CCCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000606902274 350627194 /nfs/dbraw/zinc/62/71/94/350627194.db2.gz PGTLQVXQCDHLKX-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CCCCCC[N@H+](C)Cc1ccccc1F ZINC000606902290 350626790 /nfs/dbraw/zinc/62/67/90/350626790.db2.gz WLTOZMOKHJFSSW-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO C=CCCCCC[N@H+](C)Cc1cccc(F)c1 ZINC000606902736 350627203 /nfs/dbraw/zinc/62/72/03/350627203.db2.gz YPIZLQBEYDWHGJ-UHFFFAOYSA-N 1 1 235.346 4.004 20 30 BIEDMO CC#CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000607727593 342782846 /nfs/dbraw/zinc/78/28/46/342782846.db2.gz YVGAGAUIQNPVHJ-GOSISDBHSA-N 1 1 249.357 4.000 20 30 BIEDMO CC#CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000607727594 342782797 /nfs/dbraw/zinc/78/27/97/342782797.db2.gz YVGAGAUIQNPVHJ-SFHVURJKSA-N 1 1 249.357 4.000 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000607736087 342784796 /nfs/dbraw/zinc/78/47/96/342784796.db2.gz JHKVEZKCVBLGSG-INIZCTEOSA-N 1 1 229.367 4.016 20 30 BIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000607736088 342784788 /nfs/dbraw/zinc/78/47/88/342784788.db2.gz JHKVEZKCVBLGSG-MRXNPFEDSA-N 1 1 229.367 4.016 20 30 BIEDMO C=CCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000607741470 342786474 /nfs/dbraw/zinc/78/64/74/342786474.db2.gz DJOLWEWGNVYGRC-INIZCTEOSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000607741471 342786539 /nfs/dbraw/zinc/78/65/39/342786539.db2.gz DJOLWEWGNVYGRC-MRXNPFEDSA-N 1 1 229.367 4.098 20 30 BIEDMO C=CCCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000607742419 342786816 /nfs/dbraw/zinc/78/68/16/342786816.db2.gz UNKVWMUWVMKJRO-UHFFFAOYSA-N 1 1 247.382 4.381 20 30 BIEDMO C=CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000607752046 342788514 /nfs/dbraw/zinc/78/85/14/342788514.db2.gz DNBILQUGUHXECT-DOTOQJQBSA-N 1 1 243.394 4.078 20 30 BIEDMO C=CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607752047 342788528 /nfs/dbraw/zinc/78/85/28/342788528.db2.gz DNBILQUGUHXECT-NVXWUHKLSA-N 1 1 243.394 4.078 20 30 BIEDMO C=CCCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000607752048 342788593 /nfs/dbraw/zinc/78/85/93/342788593.db2.gz DNBILQUGUHXECT-RDJZCZTQSA-N 1 1 243.394 4.078 20 30 BIEDMO C=CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000607752049 342788611 /nfs/dbraw/zinc/78/86/11/342788611.db2.gz DNBILQUGUHXECT-WBVHZDCISA-N 1 1 243.394 4.078 20 30 BIEDMO CCC(C)(C)CC[N@@H+](CCC#N)CCC(C)C ZINC000610392364 357909123 /nfs/dbraw/zinc/90/91/23/357909123.db2.gz UYRIGUAXFRQFOY-UHFFFAOYSA-N 1 1 238.419 4.074 20 30 BIEDMO CC(C)(C#N)CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000610447564 357942306 /nfs/dbraw/zinc/94/23/06/357942306.db2.gz AAWSISKTIMDYDJ-UHFFFAOYSA-N 1 1 248.414 4.113 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000613470649 363389177 /nfs/dbraw/zinc/38/91/77/363389177.db2.gz NXMMWVQYTZEVMF-AWEZNQCLSA-N 1 1 235.758 4.053 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000613470652 363388763 /nfs/dbraw/zinc/38/87/63/363388763.db2.gz NXMMWVQYTZEVMF-CQSZACIVSA-N 1 1 235.758 4.053 20 30 BIEDMO CC(C)(C#N)CCCC[N@@H+](C1CC1)C1CCCC1 ZINC000618280678 369108800 /nfs/dbraw/zinc/10/88/00/369108800.db2.gz RPDNJYRGFKZSFP-UHFFFAOYSA-N 1 1 248.414 4.113 20 30 BIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000618763832 369214702 /nfs/dbraw/zinc/21/47/02/369214702.db2.gz XQNYVMFRCYMZBK-AWEZNQCLSA-N 1 1 239.362 4.409 20 30 BIEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC000618763833 369214602 /nfs/dbraw/zinc/21/46/02/369214602.db2.gz XQNYVMFRCYMZBK-CQSZACIVSA-N 1 1 239.362 4.409 20 30 BIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000621280593 370211844 /nfs/dbraw/zinc/21/18/44/370211844.db2.gz GOCAHMGPFAGUNA-HNNXBMFYSA-N 1 1 231.383 4.181 20 30 BIEDMO C=C(C)C[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000621280594 370211952 /nfs/dbraw/zinc/21/19/52/370211952.db2.gz GOCAHMGPFAGUNA-OAHLLOKOSA-N 1 1 231.383 4.181 20 30 BIEDMO C=C(C)C[N@H+](C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000621280685 350373226 /nfs/dbraw/zinc/37/32/26/350373226.db2.gz WDMKMPWJQHIHGT-AWEZNQCLSA-N 1 1 237.774 4.299 20 30 BIEDMO C=C(C)C[N@H+](C)[C@H](CC)c1ccc(Cl)cc1 ZINC000621280686 350373529 /nfs/dbraw/zinc/37/35/29/350373529.db2.gz WDMKMPWJQHIHGT-CQSZACIVSA-N 1 1 237.774 4.299 20 30 BIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000621289236 370217930 /nfs/dbraw/zinc/21/79/30/370217930.db2.gz DXZRYWIOEHDLBM-AWEZNQCLSA-N 1 1 231.383 4.379 20 30 BIEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000621289237 370217028 /nfs/dbraw/zinc/21/70/28/370217028.db2.gz DXZRYWIOEHDLBM-CQSZACIVSA-N 1 1 231.383 4.379 20 30 BIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccc(Cl)cc1 ZINC000621300072 370229508 /nfs/dbraw/zinc/22/95/08/370229508.db2.gz FOQACDYSLVJCID-GFCCVEGCSA-N 1 1 237.774 4.299 20 30 BIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccc(Cl)cc1 ZINC000621300073 370229700 /nfs/dbraw/zinc/22/97/00/370229700.db2.gz FOQACDYSLVJCID-LBPRGKRZSA-N 1 1 237.774 4.299 20 30 BIEDMO C=C(C)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000621313876 370239382 /nfs/dbraw/zinc/23/93/82/370239382.db2.gz XWDXCXUSHAFSGQ-UHFFFAOYSA-N 1 1 243.394 4.050 20 30 BIEDMO C=C(C)C[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000621318643 370245031 /nfs/dbraw/zinc/24/50/31/370245031.db2.gz VZKSOXFIRBASFC-AWEZNQCLSA-N 1 1 235.371 4.327 20 30 BIEDMO C=C(C)C[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000621318644 370245281 /nfs/dbraw/zinc/24/52/81/370245281.db2.gz VZKSOXFIRBASFC-CQSZACIVSA-N 1 1 235.371 4.327 20 30 BIEDMO C=CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000641980182 362817251 /nfs/dbraw/zinc/81/72/51/362817251.db2.gz AAQOQRSZKCTZRI-SECBINFHSA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000641980182 362817246 /nfs/dbraw/zinc/81/72/46/362817246.db2.gz AAQOQRSZKCTZRI-SECBINFHSA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000641980183 362817055 /nfs/dbraw/zinc/81/70/55/362817055.db2.gz AAQOQRSZKCTZRI-VIFPVBQESA-N 1 1 244.165 4.172 20 30 BIEDMO C=CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000641980183 362817050 /nfs/dbraw/zinc/81/70/50/362817050.db2.gz AAQOQRSZKCTZRI-VIFPVBQESA-N 1 1 244.165 4.172 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000641980237 362817076 /nfs/dbraw/zinc/81/70/76/362817076.db2.gz QMMBQZYRKJAOOW-AWEZNQCLSA-N 1 1 235.758 4.053 20 30 BIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000641980238 362817467 /nfs/dbraw/zinc/81/74/67/362817467.db2.gz QMMBQZYRKJAOOW-CQSZACIVSA-N 1 1 235.758 4.053 20 30 BIEDMO C=CC[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000661381674 411764220 /nfs/dbraw/zinc/76/42/20/411764220.db2.gz NXDPZEHXQAPHFJ-GFCCVEGCSA-N 1 1 249.320 4.007 20 30 BIEDMO C=CC[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000661381677 411763576 /nfs/dbraw/zinc/76/35/76/411763576.db2.gz NXDPZEHXQAPHFJ-LBPRGKRZSA-N 1 1 249.320 4.007 20 30 BIEDMO C=C(C)CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437077 411776654 /nfs/dbraw/zinc/77/66/54/411776654.db2.gz YIXGENUSAFDWKD-HNNXBMFYSA-N 1 1 245.366 4.163 20 30 BIEDMO C=C(C)CC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437078 411774882 /nfs/dbraw/zinc/77/48/82/411774882.db2.gz YIXGENUSAFDWKD-OAHLLOKOSA-N 1 1 245.366 4.163 20 30 BIEDMO C=CC[N@H+](CCCCC(F)(F)F)C(C)(C)C ZINC000661759898 411872137 /nfs/dbraw/zinc/87/21/37/411872137.db2.gz LOWMDYJUEZRJDR-UHFFFAOYSA-N 1 1 237.309 4.006 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(F)cc1 ZINC000662080203 411980108 /nfs/dbraw/zinc/98/01/08/411980108.db2.gz IUHDHVARQDBLAD-VBNZEHGJSA-N 1 1 245.341 4.070 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(F)cc1 ZINC000662080206 411979732 /nfs/dbraw/zinc/97/97/32/411979732.db2.gz IUHDHVARQDBLAD-WQVCFCJDSA-N 1 1 245.341 4.070 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1F ZINC000662080836 411980203 /nfs/dbraw/zinc/98/02/03/411980203.db2.gz QYYQYZYOBMDNHG-MCIONIFRSA-N 1 1 245.341 4.070 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1F ZINC000662080838 411979934 /nfs/dbraw/zinc/97/99/34/411979934.db2.gz QYYQYZYOBMDNHG-MELADBBJSA-N 1 1 245.341 4.070 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(F)c1 ZINC000662081836 411979858 /nfs/dbraw/zinc/97/98/58/411979858.db2.gz XYSVVVGHFSSYFA-VBNZEHGJSA-N 1 1 245.341 4.070 20 30 BIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cccc(F)c1 ZINC000662081840 411358341 /nfs/dbraw/zinc/35/83/41/411358341.db2.gz XYSVVVGHFSSYFA-WQVCFCJDSA-N 1 1 245.341 4.070 20 30 BIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)CC(C)C ZINC000671289274 488110851 /nfs/dbraw/zinc/11/08/51/488110851.db2.gz GULOHHGHGBCOAJ-UHFFFAOYSA-N 1 1 243.803 4.046 20 30 BIEDMO C[N@@H+](CCCCC1(C#N)CCC1)C1CCCCC1 ZINC000675075871 537888041 /nfs/dbraw/zinc/88/80/41/537888041.db2.gz WCCZKBKQVACQCZ-UHFFFAOYSA-N 1 1 248.414 4.115 20 30 BIEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678715716 488277835 /nfs/dbraw/zinc/27/78/35/488277835.db2.gz FADWSNJHAWSUIB-BBRMVZONSA-N 1 1 247.357 4.317 20 30 BIEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678715718 488277426 /nfs/dbraw/zinc/27/74/26/488277426.db2.gz FADWSNJHAWSUIB-CJNGLKHVSA-N 1 1 247.357 4.317 20 30 BIEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678715720 488277509 /nfs/dbraw/zinc/27/75/09/488277509.db2.gz FADWSNJHAWSUIB-CZUORRHYSA-N 1 1 247.357 4.317 20 30 BIEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678715721 488277643 /nfs/dbraw/zinc/27/76/43/488277643.db2.gz FADWSNJHAWSUIB-XJKSGUPXSA-N 1 1 247.357 4.317 20 30 BIEDMO C=CCCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000682070379 487984621 /nfs/dbraw/zinc/98/46/21/487984621.db2.gz CRBBNACGVUZBCT-INIZCTEOSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000682070380 487984764 /nfs/dbraw/zinc/98/47/64/487984764.db2.gz CRBBNACGVUZBCT-MRXNPFEDSA-N 1 1 247.382 4.044 20 30 BIEDMO C=CCCCCC[N@H+](CC)CCC(F)(F)F ZINC000683781944 488219865 /nfs/dbraw/zinc/21/98/65/488219865.db2.gz PCJJDMJDNKDNLX-UHFFFAOYSA-N 1 1 237.309 4.007 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000727175466 583619439 /nfs/dbraw/zinc/61/94/39/583619439.db2.gz BSILJGKTMLJXKP-CYBMUJFWSA-N 1 1 237.774 4.040 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000727175475 583619506 /nfs/dbraw/zinc/61/95/06/583619506.db2.gz BSILJGKTMLJXKP-ZDUSSCGKSA-N 1 1 237.774 4.040 20 30 BIEDMO C=C(Cl)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000727240938 583624644 /nfs/dbraw/zinc/62/46/44/583624644.db2.gz ZMTORKJWEXTHMP-UHFFFAOYSA-N 1 1 245.753 4.024 20 30 BIEDMO C=C(Cl)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000727240938 583624643 /nfs/dbraw/zinc/62/46/43/583624643.db2.gz ZMTORKJWEXTHMP-UHFFFAOYSA-N 1 1 245.753 4.024 20 30 BIEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000727586214 583687275 /nfs/dbraw/zinc/68/72/75/583687275.db2.gz PTUGGICCWMCGHR-HNNXBMFYSA-N 1 1 249.785 4.009 20 30 BIEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000727586218 583687558 /nfs/dbraw/zinc/68/75/58/583687558.db2.gz PTUGGICCWMCGHR-OAHLLOKOSA-N 1 1 249.785 4.009 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC000735490403 584977920 /nfs/dbraw/zinc/97/79/20/584977920.db2.gz JPHKALQXTFODHK-CYBMUJFWSA-N 1 1 235.346 4.175 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC000735490404 584977964 /nfs/dbraw/zinc/97/79/64/584977964.db2.gz JPHKALQXTFODHK-ZDUSSCGKSA-N 1 1 235.346 4.175 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccccc1C ZINC000735490829 584977998 /nfs/dbraw/zinc/97/79/98/584977998.db2.gz RUJOXSPRJZKRNI-HNNXBMFYSA-N 1 1 231.383 4.344 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccccc1C ZINC000735490830 584978008 /nfs/dbraw/zinc/97/80/08/584978008.db2.gz RUJOXSPRJZKRNI-OAHLLOKOSA-N 1 1 231.383 4.344 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC000735490862 584978059 /nfs/dbraw/zinc/97/80/59/584978059.db2.gz SUPSZTVAPVYJAQ-CYBMUJFWSA-N 1 1 235.346 4.175 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC000735490863 584977874 /nfs/dbraw/zinc/97/78/74/584977874.db2.gz SUPSZTVAPVYJAQ-ZDUSSCGKSA-N 1 1 235.346 4.175 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccccc1 ZINC000735490965 584977901 /nfs/dbraw/zinc/97/79/01/584977901.db2.gz XPXMONANVIOXKH-AWEZNQCLSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccccc1 ZINC000735490966 584978158 /nfs/dbraw/zinc/97/81/58/584978158.db2.gz XPXMONANVIOXKH-CQSZACIVSA-N 1 1 217.356 4.036 20 30 BIEDMO C=CCCC[N@H+](CC)[C@@H](C)CCc1ccccc1 ZINC000735490989 584978156 /nfs/dbraw/zinc/97/81/56/584978156.db2.gz YYCWOLUTCZMPCN-INIZCTEOSA-N 1 1 245.410 4.296 20 30 BIEDMO C=CCCC[N@H+](CC)[C@H](C)CCc1ccccc1 ZINC000735490990 584978071 /nfs/dbraw/zinc/97/80/71/584978071.db2.gz YYCWOLUTCZMPCN-MRXNPFEDSA-N 1 1 245.410 4.296 20 30 BIEDMO C=CCCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000735493231 584977924 /nfs/dbraw/zinc/97/79/24/584977924.db2.gz VMADKDXDWBVVTA-UHFFFAOYSA-N 1 1 241.378 4.050 20 30 BIEDMO CCCCCCC[N@@H+](C)Cc1ccsc1 ZINC000740873667 644559474 /nfs/dbraw/zinc/55/94/74/644559474.db2.gz SUGIZYQKICQCDY-UHFFFAOYSA-N 1 1 225.401 4.150 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000740874712 583977271 /nfs/dbraw/zinc/97/72/71/583977271.db2.gz DCYPLGGNZDXIBK-HNNXBMFYSA-N 1 1 234.387 4.122 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000740874713 583977397 /nfs/dbraw/zinc/97/73/97/583977397.db2.gz DCYPLGGNZDXIBK-OAHLLOKOSA-N 1 1 234.387 4.122 20 30 BIEDMO CCCCCCC[N@@H+](Cc1ccccn1)C(C)C ZINC000740875115 644561294 /nfs/dbraw/zinc/56/12/94/644561294.db2.gz GERCLMZKUKHDKF-UHFFFAOYSA-N 1 1 248.414 4.262 20 30 BIEDMO CCCCCCC[N@@H+](CC)CCC(F)(F)F ZINC000740876067 644562067 /nfs/dbraw/zinc/56/20/67/644562067.db2.gz MCXNNWKQBONZMG-UHFFFAOYSA-N 1 1 239.325 4.231 20 30 BIEDMO C=C(Cl)C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000741053869 585109965 /nfs/dbraw/zinc/10/99/65/585109965.db2.gz DUJCUEGGNBCJDG-UHFFFAOYSA-N 1 1 249.785 4.020 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000741053869 585109964 /nfs/dbraw/zinc/10/99/64/585109964.db2.gz DUJCUEGGNBCJDG-UHFFFAOYSA-N 1 1 249.785 4.020 20 30 BIEDMO C=C(Cl)C[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000746653915 585171526 /nfs/dbraw/zinc/17/15/26/585171526.db2.gz WUNKBYJUGRDMSY-HNNXBMFYSA-N 1 1 249.785 4.138 20 30 BIEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000746653921 585171501 /nfs/dbraw/zinc/17/15/01/585171501.db2.gz WUNKBYJUGRDMSY-OAHLLOKOSA-N 1 1 249.785 4.138 20 30 BIEDMO C=C(Cl)C[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000746657382 585172158 /nfs/dbraw/zinc/17/21/58/585172158.db2.gz FUKYYFNZMWAQLI-AWEZNQCLSA-N 1 1 237.774 4.212 20 30 BIEDMO C=C(Cl)C[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000746657383 585171806 /nfs/dbraw/zinc/17/18/06/585171806.db2.gz FUKYYFNZMWAQLI-CQSZACIVSA-N 1 1 237.774 4.212 20 30 BIEDMO C=C(Cl)C[N@H+](CCC(C)C)C1CCCC1 ZINC000746660375 585172020 /nfs/dbraw/zinc/17/20/20/585172020.db2.gz VLVYVQRFHDTHSV-UHFFFAOYSA-N 1 1 229.795 4.030 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000751483153 585231290 /nfs/dbraw/zinc/23/12/90/585231290.db2.gz QGMKDKWKWJEUMZ-INIZCTEOSA-N 1 1 246.398 4.189 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000751483175 585231372 /nfs/dbraw/zinc/23/13/72/585231372.db2.gz QGMKDKWKWJEUMZ-MRXNPFEDSA-N 1 1 246.398 4.189 20 30 BIEDMO C#CCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000752855270 585250943 /nfs/dbraw/zinc/25/09/43/585250943.db2.gz LLMQOEPWDPMLKV-GOSISDBHSA-N 1 1 249.357 4.000 20 30 BIEDMO C#CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000752855271 585250964 /nfs/dbraw/zinc/25/09/64/585250964.db2.gz LLMQOEPWDPMLKV-SFHVURJKSA-N 1 1 249.357 4.000 20 30 BIEDMO C=C(Cl)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000756044408 585313542 /nfs/dbraw/zinc/31/35/42/585313542.db2.gz YFERBQGQEBWCEL-LLVKDONJSA-N 1 1 249.741 4.144 20 30 BIEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000756044409 585313593 /nfs/dbraw/zinc/31/35/93/585313593.db2.gz YFERBQGQEBWCEL-NSHDSACASA-N 1 1 249.741 4.144 20 30 BIEDMO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)C(C)C ZINC000763821359 585454777 /nfs/dbraw/zinc/45/47/77/585454777.db2.gz OQGCLVSCSARWLZ-UHFFFAOYSA-N 1 1 239.309 4.021 20 30 BIEDMO C#CCCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000766894335 585509417 /nfs/dbraw/zinc/50/94/17/585509417.db2.gz BGCRHHIUOZLBSW-KRWDZBQOSA-N 1 1 241.378 4.017 20 30 BIEDMO C#CCCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000766894337 585509453 /nfs/dbraw/zinc/50/94/53/585509453.db2.gz BGCRHHIUOZLBSW-QGZVFWFLSA-N 1 1 241.378 4.017 20 30 BIEDMO C#CCCC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000766894368 585509603 /nfs/dbraw/zinc/50/96/03/585509603.db2.gz FFARVYJFIPBJED-HNNXBMFYSA-N 1 1 247.382 4.165 20 30 BIEDMO C#CCCC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000766894370 585509275 /nfs/dbraw/zinc/50/92/75/585509275.db2.gz FFARVYJFIPBJED-OAHLLOKOSA-N 1 1 247.382 4.165 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000767580696 585522562 /nfs/dbraw/zinc/52/25/62/585522562.db2.gz CAKVVGXWRFAGBW-INIZCTEOSA-N 1 1 246.398 4.189 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000767580699 585522503 /nfs/dbraw/zinc/52/25/03/585522503.db2.gz CAKVVGXWRFAGBW-MRXNPFEDSA-N 1 1 246.398 4.189 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000768733410 585542431 /nfs/dbraw/zinc/54/24/31/585542431.db2.gz JAYJQTAEXLPYCM-HNNXBMFYSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000768733412 585542315 /nfs/dbraw/zinc/54/23/15/585542315.db2.gz JAYJQTAEXLPYCM-OAHLLOKOSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000769925060 585566581 /nfs/dbraw/zinc/56/65/81/585566581.db2.gz GWWBYOJSPQEDSI-HNNXBMFYSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000769925062 585566698 /nfs/dbraw/zinc/56/66/98/585566698.db2.gz GWWBYOJSPQEDSI-OAHLLOKOSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000769942940 585566672 /nfs/dbraw/zinc/56/66/72/585566672.db2.gz OABWCHHLRCCNIM-INIZCTEOSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000769942942 585566573 /nfs/dbraw/zinc/56/65/73/585566573.db2.gz OABWCHHLRCCNIM-MRXNPFEDSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000772235902 585610845 /nfs/dbraw/zinc/61/08/45/585610845.db2.gz FQJWWPDSQIVBQF-UHFFFAOYSA-N 1 1 246.398 4.016 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000772257202 585611233 /nfs/dbraw/zinc/61/12/33/585611233.db2.gz QYULPZQGATVMDN-HNNXBMFYSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000772257204 585013904 /nfs/dbraw/zinc/01/39/04/585013904.db2.gz QYULPZQGATVMDN-OAHLLOKOSA-N 1 1 248.414 4.435 20 30 BIEDMO CCCCCCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000772279560 585611968 /nfs/dbraw/zinc/61/19/68/585611968.db2.gz KNACMTWPMMNTEK-UHFFFAOYSA-N 1 1 246.398 4.016 20 30 BIEDMO C=CC[N@@H+](Cc1cccc(C(F)F)c1)C(C)C ZINC000791449411 585981738 /nfs/dbraw/zinc/98/17/38/585981738.db2.gz PYIVOQQYZLYMDG-UHFFFAOYSA-N 1 1 239.309 4.021 20 30 BIEDMO C=C(Cl)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000794682983 586046805 /nfs/dbraw/zinc/04/68/05/586046805.db2.gz FCTYKXFANMUKON-CYBMUJFWSA-N 1 1 237.774 4.211 20 30 BIEDMO C=C(Cl)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000794682993 586046802 /nfs/dbraw/zinc/04/68/02/586046802.db2.gz FCTYKXFANMUKON-ZDUSSCGKSA-N 1 1 237.774 4.211 20 30 BIEDMO C#CCC[N@@H+](Cc1cccs1)C(C)(C)CCC ZINC000801998970 586285302 /nfs/dbraw/zinc/28/53/02/586285302.db2.gz NDYIPLUYXCNSRL-UHFFFAOYSA-N 1 1 249.423 4.152 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000805748102 585837893 /nfs/dbraw/zinc/83/78/93/585837893.db2.gz LWEITMSFGCIYSA-INIZCTEOSA-N 1 1 246.398 4.189 20 30 BIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748105 585837928 /nfs/dbraw/zinc/83/79/28/585837928.db2.gz LWEITMSFGCIYSA-MRXNPFEDSA-N 1 1 246.398 4.189 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000913396221 640365647 /nfs/dbraw/zinc/36/56/47/640365647.db2.gz SGMIXMXFLKMMKS-SNVBAGLBSA-N 1 1 244.165 4.085 20 30 BIEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000913396221 640365643 /nfs/dbraw/zinc/36/56/43/640365643.db2.gz SGMIXMXFLKMMKS-SNVBAGLBSA-N 1 1 244.165 4.085 20 30 BIEDMO C=C(Cl)C[N@H+](C)Cc1cccc2ccccc21 ZINC000917062063 641999131 /nfs/dbraw/zinc/99/91/31/641999131.db2.gz PZNJTSWBFZAHSP-UHFFFAOYSA-N 1 1 245.753 4.024 20 30 BIEDMO C=C(Cl)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000917062063 641999130 /nfs/dbraw/zinc/99/91/30/641999130.db2.gz PZNJTSWBFZAHSP-UHFFFAOYSA-N 1 1 245.753 4.024 20 30 BIEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917064905 641999981 /nfs/dbraw/zinc/99/99/81/641999981.db2.gz SYUWZORKEWKUCU-HNNXBMFYSA-N 1 1 249.785 4.356 20 30 BIEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917064906 642000294 /nfs/dbraw/zinc/00/02/94/642000294.db2.gz SYUWZORKEWKUCU-OAHLLOKOSA-N 1 1 249.785 4.356 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000917066668 641998655 /nfs/dbraw/zinc/99/86/55/641998655.db2.gz NPUSMHWTIBYZRL-JTQLQIEISA-N 1 1 244.165 4.085 20 30 BIEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000917066668 641998646 /nfs/dbraw/zinc/99/86/46/641998646.db2.gz NPUSMHWTIBYZRL-JTQLQIEISA-N 1 1 244.165 4.085 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000917066669 642000033 /nfs/dbraw/zinc/00/00/33/642000033.db2.gz NPUSMHWTIBYZRL-SNVBAGLBSA-N 1 1 244.165 4.085 20 30 BIEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000917066669 642000030 /nfs/dbraw/zinc/00/00/30/642000030.db2.gz NPUSMHWTIBYZRL-SNVBAGLBSA-N 1 1 244.165 4.085 20 30 BIEDMO C=CC[N@@H+](Cc1cccc2ccccc21)C(C)C ZINC000917070805 642001156 /nfs/dbraw/zinc/00/11/56/642001156.db2.gz FVBQEIGFYVWQON-UHFFFAOYSA-N 1 1 239.362 4.236 20 30 BIEDMO C=CC[N@@H+](Cc1ccc2ccccc2c1)C(C)C ZINC000917071543 642004534 /nfs/dbraw/zinc/00/45/34/642004534.db2.gz VHSSGYBJFPAONO-UHFFFAOYSA-N 1 1 239.362 4.236 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000918023593 642158372 /nfs/dbraw/zinc/15/83/72/642158372.db2.gz FAXWRYBOFAXDLL-CYBMUJFWSA-N 1 1 237.774 4.049 20 30 BIEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000918023594 642158844 /nfs/dbraw/zinc/15/88/44/642158844.db2.gz FAXWRYBOFAXDLL-ZDUSSCGKSA-N 1 1 237.774 4.049 20 30 BIEDMO CCCCCCCCC[N@@H+](C)Cc1ccccn1 ZINC000918741660 642260643 /nfs/dbraw/zinc/26/06/43/642260643.db2.gz KEPMEUKCMJKOIH-UHFFFAOYSA-N 1 1 248.414 4.264 20 30 BIEDMO CCCCCCCCC[N@@H+](C)Cc1cccnc1 ZINC000918741707 642261343 /nfs/dbraw/zinc/26/13/43/642261343.db2.gz NUTXQNMTYUYKAR-UHFFFAOYSA-N 1 1 248.414 4.264 20 30 BIEDMO C=C(Cl)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000920210595 642448141 /nfs/dbraw/zinc/44/81/41/642448141.db2.gz IBVJATFHHAVJBI-UHFFFAOYSA-N 1 1 249.785 4.041 20 30 BIEDMO C=C(Cl)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000920211063 642447585 /nfs/dbraw/zinc/44/75/85/642447585.db2.gz YWNYXWCCOFRRGT-UHFFFAOYSA-N 1 1 243.803 4.019 20 30 BIEDMO C=C(Cl)C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000920211063 642447560 /nfs/dbraw/zinc/44/75/60/642447560.db2.gz YWNYXWCCOFRRGT-UHFFFAOYSA-N 1 1 243.803 4.019 20 30 BIEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000920780186 642544601 /nfs/dbraw/zinc/54/46/01/642544601.db2.gz KFWJRZFRRDUHIC-OAHLLOKOSA-N 1 1 249.785 4.193 20 30 BIEDMO C=CC[N@@H+](Cc1c(C)cc(C)cc1C)C(C)C ZINC000920837161 642555747 /nfs/dbraw/zinc/55/57/47/642555747.db2.gz YUHCASXCAMEFPH-UHFFFAOYSA-N 1 1 231.383 4.008 20 30 BIEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929275600 646054585 /nfs/dbraw/zinc/05/45/85/646054585.db2.gz KSUASKLIDUPSDN-UHFFFAOYSA-N 1 1 248.414 4.115 20 30 BIEDMO CC(C)[N@@H+](CCCCC1(C#N)CCC1)C1CCC1 ZINC000929993949 646386750 /nfs/dbraw/zinc/38/67/50/646386750.db2.gz KVOKTWDNJZUPLZ-UHFFFAOYSA-N 1 1 248.414 4.113 20 30 BIEDMO C=CC[N@H+](CCCCC1(C#N)CCC1)C(C)(C)C ZINC000931016254 640020218 /nfs/dbraw/zinc/02/02/18/640020218.db2.gz AIPIQXYWKZCJBH-UHFFFAOYSA-N 1 1 248.414 4.137 20 30 BIEDMO