smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CC2(C1)CC[NH+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170395964 1082360059 /nfs/dbraw/zinc/36/00/59/1082360059.db2.gz ROZVDRWQVQQVNJ-UHFFFAOYSA-N 2 0 323.484 3.418 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430810 1082472488 /nfs/dbraw/zinc/47/24/88/1082472488.db2.gz XPVGVENPXNXLHU-SFHVURJKSA-N 2 0 323.525 3.070 20 30 DGEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410938 1082906068 /nfs/dbraw/zinc/90/60/68/1082906068.db2.gz PYWHOXNKPFLFEW-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490661 1082925090 /nfs/dbraw/zinc/92/50/90/1082925090.db2.gz WUXYDUCPQUEHFJ-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369496 1083280630 /nfs/dbraw/zinc/28/06/30/1083280630.db2.gz NHLMPEYALGRMGW-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750174 1083286093 /nfs/dbraw/zinc/28/60/93/1083286093.db2.gz HDGXMAGFRDPKNZ-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099568 1088474315 /nfs/dbraw/zinc/47/43/15/1088474315.db2.gz LYKYRBDDFPCNBH-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518951 1089270964 /nfs/dbraw/zinc/27/09/64/1089270964.db2.gz VHWWDTDIBLRETE-MRXNPFEDSA-N 2 0 323.525 3.090 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001140115762 1091772887 /nfs/dbraw/zinc/77/28/87/1091772887.db2.gz KJYKDLUSLOWKJC-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP SC1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207292352 1091914254 /nfs/dbraw/zinc/91/42/54/1091914254.db2.gz PAFRVXKBDNKMPN-UHFFFAOYSA-N 2 0 304.503 3.293 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208901608 1092575770 /nfs/dbraw/zinc/57/57/70/1092575770.db2.gz BYZHGXMFQHKVMQ-UHFFFAOYSA-N 2 0 319.537 3.248 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209631881 1092854492 /nfs/dbraw/zinc/85/44/92/1092854492.db2.gz HPIZMNRAIVSBEV-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790820 1094290300 /nfs/dbraw/zinc/29/03/00/1094290300.db2.gz IXVJFONKTCKBAQ-HZPDHXFCSA-N 2 0 323.525 3.088 20 30 DGEDRP c1ccc([S+](CCOC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC001217768448 1094493244 /nfs/dbraw/zinc/49/32/44/1094493244.db2.gz LBDJTJFLGXCNRL-UHFFFAOYSA-N 2 0 314.474 3.492 20 30 DGEDRP CN(c1ccccc1C=[NH+]OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001336227012 1094594989 /nfs/dbraw/zinc/59/49/89/1094594989.db2.gz GGHAKAYHBJROCN-UHFFFAOYSA-N 2 0 303.450 3.366 20 30 DGEDRP C=CCCCCCC[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221780 1095497628 /nfs/dbraw/zinc/49/76/28/1095497628.db2.gz SISZXRGFBXKILP-QGZVFWFLSA-N 2 0 322.493 3.130 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254982 1095937990 /nfs/dbraw/zinc/93/79/90/1095937990.db2.gz WUQNIBUIJISKBY-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398301 1096031816 /nfs/dbraw/zinc/03/18/16/1096031816.db2.gz NQJYPARELOIDDY-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146715357 1096093620 /nfs/dbraw/zinc/09/36/20/1096093620.db2.gz UHUXVGSVWWKRPY-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C[N@@H+]1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224638021 1096252751 /nfs/dbraw/zinc/25/27/51/1096252751.db2.gz WDHGMPGJJDOOEW-QGZVFWFLSA-N 2 0 314.474 3.444 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225345880 1096402129 /nfs/dbraw/zinc/40/21/29/1096402129.db2.gz FROSPOPUEWQAHO-KURKYZTESA-N 2 0 323.525 3.068 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227056769 1096854950 /nfs/dbraw/zinc/85/49/50/1096854950.db2.gz LBOKPZNHHPZHNG-KZNAEPCWSA-N 2 0 323.525 3.090 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)C2 ZINC001172108749 1097055559 /nfs/dbraw/zinc/05/55/59/1097055559.db2.gz DQDCHQVPSLFTQP-PHZGNYQRSA-N 2 0 303.837 3.317 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001172313016 1097098398 /nfs/dbraw/zinc/09/83/98/1097098398.db2.gz NQKULSLBUVQXEN-KRWDZBQOSA-N 2 0 320.440 3.015 20 30 DGEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559392 1097141729 /nfs/dbraw/zinc/14/17/29/1097141729.db2.gz QXQLEUNPUOHJOB-KURKYZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C[C@@H](CCCC#N)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172489136 1097166922 /nfs/dbraw/zinc/16/69/22/1097166922.db2.gz ZPJNSTSQJMQBFU-SZMVWBNQSA-N 2 0 300.450 3.236 20 30 DGEDRP C[C@@H](CCCC#N)[NH2+][C@H](CN)c1ccc(Br)cc1 ZINC001172490069 1097167068 /nfs/dbraw/zinc/16/70/68/1097167068.db2.gz VEDWGYYNMZALDD-SMDDNHRTSA-N 2 0 310.239 3.121 20 30 DGEDRP C[C@H](CCCC#N)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172495785 1097170376 /nfs/dbraw/zinc/17/03/76/1097170376.db2.gz UZKFSKJIOMLNAJ-HZPDHXFCSA-N 2 0 307.482 3.080 20 30 DGEDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172509803 1097174956 /nfs/dbraw/zinc/17/49/56/1097174956.db2.gz QUQQHHLDULGFRA-LJQANCHMSA-N 2 0 322.541 3.198 20 30 DGEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001173309658 1097407785 /nfs/dbraw/zinc/40/77/85/1097407785.db2.gz JCCAWBSADJWDPQ-HOTGVXAUSA-N 2 0 300.487 3.243 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565957 1098099901 /nfs/dbraw/zinc/09/99/01/1098099901.db2.gz NDHRWKVTIPPARN-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629066 1098395221 /nfs/dbraw/zinc/39/52/21/1098395221.db2.gz RIQLYHUWLQEFSX-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176759587 1098434525 /nfs/dbraw/zinc/43/45/25/1098434525.db2.gz KSXRGNZQJSPBPK-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277883693 1098656498 /nfs/dbraw/zinc/65/64/98/1098656498.db2.gz NLTWBECVNFZERI-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP N#Cc1ccc(CCC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233868 1098907472 /nfs/dbraw/zinc/90/74/72/1098907472.db2.gz UOTCWSBQNNVMHX-FQEVSTJZSA-N 2 0 311.473 3.345 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235431914 1099029497 /nfs/dbraw/zinc/02/94/97/1099029497.db2.gz PCQNTNSOUABXAK-ROUUACIJSA-N 2 0 322.456 3.251 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235662582 1099110698 /nfs/dbraw/zinc/11/06/98/1099110698.db2.gz JGLXESVYQDSJES-UHFFFAOYSA-N 2 0 306.450 3.276 20 30 DGEDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235674397 1099118138 /nfs/dbraw/zinc/11/81/38/1099118138.db2.gz SMNSYBZOHKBEBS-NRFANRHFSA-N 2 0 304.437 3.257 20 30 DGEDRP CCc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)ccc1C#N ZINC001235701939 1099136250 /nfs/dbraw/zinc/13/62/50/1099136250.db2.gz DZBAERPLOJWLDQ-UHFFFAOYSA-N 2 0 311.473 3.332 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235703509 1099138146 /nfs/dbraw/zinc/13/81/46/1099138146.db2.gz WUWUDJFASJOPTE-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC001235788466 1099180589 /nfs/dbraw/zinc/18/05/89/1099180589.db2.gz GQDHHKDYIMSLQD-UHFFFAOYSA-N 2 0 311.473 3.202 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746041 1099198134 /nfs/dbraw/zinc/19/81/34/1099198134.db2.gz MIDUMPMMWCIAGA-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180451438 1099426273 /nfs/dbraw/zinc/42/62/73/1099426273.db2.gz AHTPLFQIBSGEBE-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236412296 1099585876 /nfs/dbraw/zinc/58/58/76/1099585876.db2.gz SZZHGINLGIKUBM-IRXDYDNUSA-N 2 0 310.482 3.115 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236617342 1099708081 /nfs/dbraw/zinc/70/80/81/1099708081.db2.gz UJIKNXSABNCCEJ-GFOMBABLSA-N 2 0 307.526 3.401 20 30 DGEDRP CCc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1C#N ZINC001278036863 1099905235 /nfs/dbraw/zinc/90/52/35/1099905235.db2.gz HLZNLGIBCKCPAU-UHFFFAOYSA-N 2 0 311.473 3.428 20 30 DGEDRP CC[N@@H+]1CCc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2C1 ZINC001240345527 1100950255 /nfs/dbraw/zinc/95/02/55/1100950255.db2.gz KSKZFRPFLBKIBC-UHFFFAOYSA-N 2 0 317.436 3.290 20 30 DGEDRP N#Cc1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351022 1100953902 /nfs/dbraw/zinc/95/39/02/1100953902.db2.gz JXZNCLSIVWDOLL-UHFFFAOYSA-N 2 0 317.436 3.379 20 30 DGEDRP Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(C#N)c1 ZINC001242593455 1102230948 /nfs/dbraw/zinc/23/09/48/1102230948.db2.gz QAZNWZNPKCHEEC-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP N#Cc1ccccc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001242716993 1102303909 /nfs/dbraw/zinc/30/39/09/1102303909.db2.gz KFLBNMHLQYCOQU-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP C[NH2+]Cc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1F ZINC001244861646 1103726486 /nfs/dbraw/zinc/72/64/86/1103726486.db2.gz FPXSZFASUGEEBF-UHFFFAOYSA-N 2 0 323.415 3.357 20 30 DGEDRP N#Cc1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cc1 ZINC001245497708 1104087601 /nfs/dbraw/zinc/08/76/01/1104087601.db2.gz NNARDCZQAQZYTH-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP N#Cc1ccc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cc1 ZINC001245498067 1104088682 /nfs/dbraw/zinc/08/86/82/1104088682.db2.gz ZXQXIHHFGCIJEP-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC001329115900 1104159014 /nfs/dbraw/zinc/15/90/14/1104159014.db2.gz ZLGVKLHFLSIIIO-KAXARAQCSA-N 2 0 309.457 3.217 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001245978316 1104345389 /nfs/dbraw/zinc/34/53/89/1104345389.db2.gz BDOILJZDCMZXTK-SFHVURJKSA-N 2 0 308.510 3.243 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001245978153 1104345414 /nfs/dbraw/zinc/34/54/14/1104345414.db2.gz JKJXFWDGBRXVLL-YDZRNGNQSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001245982060 1104345501 /nfs/dbraw/zinc/34/55/01/1104345501.db2.gz JOPXLCYKESKCGG-CABCVRRESA-N 2 0 324.431 3.230 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001245984610 1104347609 /nfs/dbraw/zinc/34/76/09/1104347609.db2.gz ZAJBJVOTUUSFKS-GOSISDBHSA-N 2 0 310.526 3.467 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246001025 1104350144 /nfs/dbraw/zinc/35/01/44/1104350144.db2.gz KWCRIIPXJCZBDK-BZSNNMDCSA-N 2 0 316.505 3.415 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246044039 1104356735 /nfs/dbraw/zinc/35/67/35/1104356735.db2.gz FEACEAGXWUZYSD-QYZOEREBSA-N 2 0 310.526 3.419 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246055231 1104361435 /nfs/dbraw/zinc/36/14/35/1104361435.db2.gz MGTVJEDOJZYKTD-LJQANCHMSA-N 2 0 320.452 3.015 20 30 DGEDRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246122132 1104396603 /nfs/dbraw/zinc/39/66/03/1104396603.db2.gz WEVGOPLHVREWPG-WSCVDHEUSA-N 2 0 311.473 3.226 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]CC[C@@H]3C[NH2+]Cc4cccn4C3)C[C@H](C1)C2 ZINC001246143904 1104404696 /nfs/dbraw/zinc/40/46/96/1104404696.db2.gz WIQGKENTNUITSU-KAKFPZCNSA-N 2 0 313.489 3.322 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246199935 1104433604 /nfs/dbraw/zinc/43/36/04/1104433604.db2.gz OGEOSECQYJCWDZ-MNNVXMFVSA-N 2 0 315.436 3.119 20 30 DGEDRP CC[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327080 1104491484 /nfs/dbraw/zinc/49/14/84/1104491484.db2.gz HYHRBWUYCALACT-BCDXTJNWSA-N 2 0 315.461 3.226 20 30 DGEDRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329536 1104493219 /nfs/dbraw/zinc/49/32/19/1104493219.db2.gz QKLNIKMGZVQVIE-AEFFLSMTSA-N 2 0 315.461 3.083 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246397063 1104525966 /nfs/dbraw/zinc/52/59/66/1104525966.db2.gz CXZUGEGMORYTFW-XWIAVFTESA-N 2 0 301.409 3.148 20 30 DGEDRP N#Cc1ccc(CCN2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001274917835 1104543142 /nfs/dbraw/zinc/54/31/42/1104543142.db2.gz QUQPGWWCQKMXQC-UHFFFAOYSA-N 2 0 323.484 3.441 20 30 DGEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246585978 1104606588 /nfs/dbraw/zinc/60/65/88/1104606588.db2.gz ZIICROHDEFCGHW-KKXNLOMOSA-N 2 0 311.473 3.451 20 30 DGEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246627527 1104634748 /nfs/dbraw/zinc/63/47/48/1104634748.db2.gz MJCDSSOZRKDMKG-KRWDZBQOSA-N 2 0 323.525 3.070 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246665808 1104654484 /nfs/dbraw/zinc/65/44/84/1104654484.db2.gz QNEGSTMTGVWYDB-OXQOHEQNSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677673 1104658973 /nfs/dbraw/zinc/65/89/73/1104658973.db2.gz KXRMPRVFIVNPQD-LSTHTHJFSA-N 2 0 311.473 3.201 20 30 DGEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1Cl)CC2 ZINC001275312231 1104718397 /nfs/dbraw/zinc/71/83/97/1104718397.db2.gz JHLONHZYYVVYLQ-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275975440 1104975656 /nfs/dbraw/zinc/97/56/56/1104975656.db2.gz DANHXOACQWNUCP-CALCHBBNSA-N 2 0 317.502 3.009 20 30 DGEDRP C=CCCCCCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276041151 1105002979 /nfs/dbraw/zinc/00/29/79/1105002979.db2.gz HPVCCYNYSWSGFT-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001253103339 1105888672 /nfs/dbraw/zinc/88/86/72/1105888672.db2.gz HQSZFMBHERCUMY-SFHVURJKSA-N 2 0 301.478 3.273 20 30 DGEDRP CC1([NH3+])CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254348665 1106058340 /nfs/dbraw/zinc/05/83/40/1106058340.db2.gz VHAPSYRQWJGFEO-UHFFFAOYSA-N 2 0 315.436 3.343 20 30 DGEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254652915 1106123374 /nfs/dbraw/zinc/12/33/74/1106123374.db2.gz IFPYMSLKELWMCU-LMCOJAPRSA-N 2 0 311.473 3.426 20 30 DGEDRP CC[NH+](CC)CC[C@@H](C)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255952644 1106348271 /nfs/dbraw/zinc/34/82/71/1106348271.db2.gz VWORKGSSXFYNRP-CQSZACIVSA-N 2 0 313.445 3.371 20 30 DGEDRP C=C[C@@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC001256687889 1106469688 /nfs/dbraw/zinc/46/96/88/1106469688.db2.gz JQQXNUXQZRUCHO-CTWPCTMYSA-N 2 0 300.446 3.147 20 30 DGEDRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C#N)CC1 ZINC001256966972 1106517827 /nfs/dbraw/zinc/51/78/27/1106517827.db2.gz RTGJWRHLVBUVIP-JCYILVPMSA-N 2 0 319.493 3.080 20 30 DGEDRP C/C(NC1CCC(OC(C)C)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257877515 1106638757 /nfs/dbraw/zinc/63/87/57/1106638757.db2.gz LQVGALIPEUNFBO-UHFFFAOYSA-N 2 0 317.477 3.390 20 30 DGEDRP CCC[NH+]1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001258764888 1106961586 /nfs/dbraw/zinc/96/15/86/1106961586.db2.gz UNIOIQMDZQPYHA-UHFFFAOYSA-N 2 0 313.367 3.285 20 30 DGEDRP COc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000104169753 432014414 /nfs/dbraw/zinc/01/44/14/432014414.db2.gz HQBPGLZJSXVQEJ-OAHLLOKOSA-N 2 0 318.465 3.076 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000286286322 335031339 /nfs/dbraw/zinc/03/13/39/335031339.db2.gz WABVLEVHXILMDO-CYBMUJFWSA-N 2 0 322.474 3.226 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000602570615 400499716 /nfs/dbraw/zinc/49/97/16/400499716.db2.gz UFWGXGZMDPQTNR-MRXNPFEDSA-N 2 0 319.493 3.082 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000602515545 400485103 /nfs/dbraw/zinc/48/51/03/400485103.db2.gz YBTYQJJWDIIYIU-ZWKOTPCHSA-N 2 0 321.509 3.187 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000047976732 400637072 /nfs/dbraw/zinc/63/70/72/400637072.db2.gz XNRZEIFWZNDNKB-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C#N)n(C)c2)c1 ZINC000190789643 432189352 /nfs/dbraw/zinc/18/93/52/432189352.db2.gz RSEWXQOVKLOVLA-UHFFFAOYSA-N 2 0 310.445 3.028 20 30 DGEDRP CN(C)C(=[NH+]Cc1ccc(C[NH+]2CCCCCC2)cc1)N(C)C ZINC000262002861 228641265 /nfs/dbraw/zinc/64/12/65/228641265.db2.gz QJXZVRDFPZXCLW-UHFFFAOYSA-N 2 0 316.493 3.042 20 30 DGEDRP C[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689383 432523612 /nfs/dbraw/zinc/52/36/12/432523612.db2.gz UOWFBMCJXVGGNE-HOCLYGCPSA-N 2 0 315.436 3.440 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414848127 433878234 /nfs/dbraw/zinc/87/82/34/433878234.db2.gz KCOVPFTWULNKHE-CQSZACIVSA-N 2 0 308.853 3.384 20 30 DGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423032584 434175637 /nfs/dbraw/zinc/17/56/37/434175637.db2.gz WFIKAAXETLEBRZ-CQSZACIVSA-N 2 0 306.413 3.060 20 30 DGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130974 434236654 /nfs/dbraw/zinc/23/66/54/434236654.db2.gz HIAQHRGMZFLMRV-LPHOPBHVSA-N 2 0 300.446 3.434 20 30 DGEDRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC000359964943 434452453 /nfs/dbraw/zinc/45/24/53/434452453.db2.gz ZLOAJJKHFOUJDI-UHFFFAOYSA-N 2 0 322.456 3.172 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000366867952 434525677 /nfs/dbraw/zinc/52/56/77/434525677.db2.gz WQJPVDOAPTWMCG-UHFFFAOYSA-N 2 0 322.456 3.119 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000367201709 434542608 /nfs/dbraw/zinc/54/26/08/434542608.db2.gz UYRSITMEGHIOMQ-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000367618007 434552472 /nfs/dbraw/zinc/55/24/72/434552472.db2.gz OEKMNPLVOXXPAD-WMZOPIPTSA-N 2 0 317.477 3.045 20 30 DGEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000367618004 434553523 /nfs/dbraw/zinc/55/35/23/434553523.db2.gz OEKMNPLVOXXPAD-AEFFLSMTSA-N 2 0 317.477 3.045 20 30 DGEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411302209 434756973 /nfs/dbraw/zinc/75/69/73/434756973.db2.gz FPMCRCSUWQJUQM-SFHVURJKSA-N 2 0 321.509 3.283 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639249130 435212128 /nfs/dbraw/zinc/21/21/28/435212128.db2.gz XSJMOKUWYVKBBI-RNQOJCNYSA-N 2 0 312.457 3.288 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639249126 435212825 /nfs/dbraw/zinc/21/28/25/435212825.db2.gz XSJMOKUWYVKBBI-LMCOJAPRSA-N 2 0 312.457 3.288 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000639755415 435409134 /nfs/dbraw/zinc/40/91/34/435409134.db2.gz KEFCGVNOIFIIIG-UHFFFAOYSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000651709635 435800434 /nfs/dbraw/zinc/80/04/34/435800434.db2.gz CEXBUAUHZOBOEB-YRXWBPOGSA-N 2 0 308.510 3.458 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650710903 435999588 /nfs/dbraw/zinc/99/95/88/435999588.db2.gz CGWKSMMCDYCMRO-NVXWUHKLSA-N 2 0 318.461 3.209 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543378 436079331 /nfs/dbraw/zinc/07/93/31/436079331.db2.gz MANQONFAMAPPOT-QZTJIDSGSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651322006 436165407 /nfs/dbraw/zinc/16/54/07/436165407.db2.gz PSYJGYPQBYVTBD-VAMGGRTRSA-N 2 0 314.473 3.222 20 30 DGEDRP C=CC[C@]1(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CCC[NH2+]1 ZINC000662683995 436377792 /nfs/dbraw/zinc/37/77/92/436377792.db2.gz VHEPJIGYEGXJFF-LJQANCHMSA-N 2 0 315.461 3.165 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136627 436384980 /nfs/dbraw/zinc/38/49/80/436384980.db2.gz DQADIZOJKUMKDV-RBUKOAKNSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167415 436392209 /nfs/dbraw/zinc/39/22/09/436392209.db2.gz SDUIHROAIRXZGT-DLBZAZTESA-N 2 0 301.478 3.484 20 30 DGEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246032435 341322477 /nfs/dbraw/zinc/32/24/77/341322477.db2.gz NUBLKGODVCDIQJ-HKUYNNGSSA-N 2 0 308.510 3.290 20 30 DGEDRP C=CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435386261 526864398 /nfs/dbraw/zinc/86/43/98/526864398.db2.gz TWHZWBGSDRBWPG-QGZVFWFLSA-N 2 0 318.461 3.224 20 30 DGEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442713369 528155658 /nfs/dbraw/zinc/15/56/58/528155658.db2.gz WJVQJRWOWXWPQI-AEFFLSMTSA-N 2 0 315.461 3.189 20 30 DGEDRP C=C(C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000675783822 548270815 /nfs/dbraw/zinc/27/08/15/548270815.db2.gz UBJNZJSRJSUULW-QUCCMNQESA-N 2 0 316.489 3.426 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000733324500 574615898 /nfs/dbraw/zinc/61/58/98/574615898.db2.gz GDJMOJYDPWHPCQ-ROUUACIJSA-N 2 0 314.473 3.156 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCO1 ZINC000927040062 619259763 /nfs/dbraw/zinc/25/97/63/619259763.db2.gz WIOYXKONVFFPBQ-IAFLDTSXSA-N 2 0 306.494 3.497 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746882 619669366 /nfs/dbraw/zinc/66/93/66/619669366.db2.gz ADOBGPCGKBAAGH-ZACQAIPSSA-N 2 0 314.477 3.362 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903463956 619777182 /nfs/dbraw/zinc/77/71/82/619777182.db2.gz UIHLBWLMAPAUSN-QGZVFWFLSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CC1(CCCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000903769467 619810321 /nfs/dbraw/zinc/81/03/21/619810321.db2.gz GXXYWJWUVGKIIQ-KBPBESRZSA-N 2 0 317.399 3.310 20 30 DGEDRP N#CC1CCC(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000903793313 619811622 /nfs/dbraw/zinc/81/16/22/619811622.db2.gz RCOPPWHCVPNNSW-UHFFFAOYSA-N 2 0 311.473 3.309 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000113314611 620900456 /nfs/dbraw/zinc/90/04/56/620900456.db2.gz MFQUDGGRLWTYGD-UHFFFAOYSA-N 2 0 314.473 3.488 20 30 DGEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922830792 621106686 /nfs/dbraw/zinc/10/66/86/621106686.db2.gz RZKFDJVEWIUYSZ-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000838959143 621304177 /nfs/dbraw/zinc/30/41/77/621304177.db2.gz YTJKQXXAPGAOBK-LJQANCHMSA-N 2 0 308.429 3.352 20 30 DGEDRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCCC#N)ccc1OC ZINC000753736053 621462737 /nfs/dbraw/zinc/46/27/37/621462737.db2.gz YEIPYPNFULNWDK-HNNXBMFYSA-N 2 0 303.450 3.491 20 30 DGEDRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234992 623085593 /nfs/dbraw/zinc/08/55/93/623085593.db2.gz JQIQFRBCDLXSBA-LPHOPBHVSA-N 2 0 323.440 3.200 20 30 DGEDRP C#CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000877553144 623939307 /nfs/dbraw/zinc/93/93/07/623939307.db2.gz KCMJPPPQSJMZAO-DFNIBXOVSA-N 2 0 306.494 3.144 20 30 DGEDRP C=CCCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000880390318 624949307 /nfs/dbraw/zinc/94/93/07/624949307.db2.gz YDFINHDHZUITQG-HXUWFJFHSA-N 2 0 315.505 3.311 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000883167537 625951207 /nfs/dbraw/zinc/95/12/07/625951207.db2.gz AJKWLPYXLRYIQM-RBUKOAKNSA-N 2 0 302.462 3.352 20 30 DGEDRP C=CCCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000883192478 625964245 /nfs/dbraw/zinc/96/42/45/625964245.db2.gz ZYBMOWRGQCSCIG-SFHVURJKSA-N 2 0 302.462 3.130 20 30 DGEDRP CC1([NH+]2CCCC2)CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000886634751 627177244 /nfs/dbraw/zinc/17/72/44/627177244.db2.gz MEDQGEALWVXPTC-UHFFFAOYSA-N 2 0 311.473 3.487 20 30 DGEDRP CN(c1ccccc1C=[NH+]OC/C=C/Cl)C1CC[NH+](C)CC1 ZINC000811668929 627304394 /nfs/dbraw/zinc/30/43/94/627304394.db2.gz WAQRARONZCQRDE-LZFXDBGNSA-N 2 0 321.852 3.320 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000104162735 627411415 /nfs/dbraw/zinc/41/14/15/627411415.db2.gz DRDHSUHWRSHWRA-MRXNPFEDSA-N 2 0 316.493 3.218 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000104174492 627411761 /nfs/dbraw/zinc/41/17/61/627411761.db2.gz RTINKDSPVZFZTJ-OAHLLOKOSA-N 2 0 302.466 3.269 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000185292562 660214400 /nfs/dbraw/zinc/21/44/00/660214400.db2.gz WJAWPZKQCHAPGA-INIZCTEOSA-N 2 0 315.461 3.189 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000247142043 655829676 /nfs/dbraw/zinc/82/96/76/655829676.db2.gz WEWPSDWOXLNYTA-QZTJIDSGSA-N 2 0 314.473 3.470 20 30 DGEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)[NH+](C)C ZINC000303769906 657561010 /nfs/dbraw/zinc/56/10/10/657561010.db2.gz BJVAOAGFGFZWOC-INIZCTEOSA-N 2 0 320.481 3.177 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000303781564 657561991 /nfs/dbraw/zinc/56/19/91/657561991.db2.gz MKJJXTVLHFWSAB-HNNXBMFYSA-N 2 0 316.493 3.264 20 30 DGEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303776928 657562633 /nfs/dbraw/zinc/56/26/33/657562633.db2.gz ICKZDLDVCFMLBZ-UHFFFAOYSA-N 2 0 316.493 3.121 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303790672 657563378 /nfs/dbraw/zinc/56/33/78/657563378.db2.gz WRHLCQWTQHGUPW-MRXNPFEDSA-N 2 0 316.493 3.121 20 30 DGEDRP CC(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303787257 657563871 /nfs/dbraw/zinc/56/38/71/657563871.db2.gz SJECKUDKDOBXFS-HNNXBMFYSA-N 2 0 322.522 3.081 20 30 DGEDRP CC(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303787259 657564296 /nfs/dbraw/zinc/56/42/96/657564296.db2.gz SJECKUDKDOBXFS-OAHLLOKOSA-N 2 0 322.522 3.081 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303878977 657569648 /nfs/dbraw/zinc/56/96/48/657569648.db2.gz JKCCWUFEFGAOOU-MRXNPFEDSA-N 2 0 302.466 3.150 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303893117 657572712 /nfs/dbraw/zinc/57/27/12/657572712.db2.gz RRCQVQSDONYWLQ-OAHLLOKOSA-N 2 0 302.466 3.096 20 30 DGEDRP C[NH+]=C(NCCC1=CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262478138 657599686 /nfs/dbraw/zinc/59/96/86/657599686.db2.gz QRVRDAZNFJOBTB-GOSISDBHSA-N 2 0 318.509 3.013 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001577426206 1191900517 /nfs/dbraw/zinc/90/05/17/1191900517.db2.gz ITFGZEPGSJRNQH-CVEARBPZSA-N 2 0 310.482 3.010 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001333158933 1178565758 /nfs/dbraw/zinc/56/57/58/1178565758.db2.gz XTWKKONTAMXOAS-KRWDZBQOSA-N 2 0 322.456 3.363 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001333840811 1178683083 /nfs/dbraw/zinc/68/30/83/1178683083.db2.gz IKIHZIMUGQOIRD-OTWHNJEPSA-N 2 0 314.473 3.414 20 30 DGEDRP C=C(C)CC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001461513604 1182823076 /nfs/dbraw/zinc/82/30/76/1182823076.db2.gz MIQZJOZBCHVPMC-UHFFFAOYSA-N 2 0 301.478 3.274 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001473173113 1183723988 /nfs/dbraw/zinc/72/39/88/1183723988.db2.gz IBVUWUBMOMDEPB-GOSISDBHSA-N 2 0 311.473 3.483 20 30 DGEDRP CC(C)C[N@@H+](Cc1ccc(F)cc1C#N)CC1CC[NH+](C)CC1 ZINC001560090715 1189276848 /nfs/dbraw/zinc/27/68/48/1189276848.db2.gz GORCNTIJJKFSCF-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP CC(C)(C#N)CCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001560217058 1189291668 /nfs/dbraw/zinc/29/16/68/1189291668.db2.gz DOIXAZCPFPYNAT-UHFFFAOYSA-N 2 0 321.509 3.019 20 30 DGEDRP C=CC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001651088098 1195412000 /nfs/dbraw/zinc/41/20/00/1195412000.db2.gz GMITZDABTIVMJX-UHFFFAOYSA-N 2 0 321.896 3.394 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001652179265 1195559027 /nfs/dbraw/zinc/55/90/27/1195559027.db2.gz NFGJJCGSLNUXIA-RBUKOAKNSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CCc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1O ZINC001655725491 1195956539 /nfs/dbraw/zinc/95/65/39/1195956539.db2.gz YLFBOVLDWVDDIO-IRXDYDNUSA-N 2 0 318.461 3.092 20 30 DGEDRP C#CCN(C)CCC[NH2+][C@H](C)Cc1ccccc1SCC ZINC001659900013 1196426435 /nfs/dbraw/zinc/42/64/35/1196426435.db2.gz BUSHVRCJDYKDDD-MRXNPFEDSA-N 2 0 304.503 3.274 20 30 DGEDRP C=C[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001665298801 1197120756 /nfs/dbraw/zinc/12/07/56/1197120756.db2.gz TVDZILOUNVREPZ-UYAOXDASSA-N 2 0 316.489 3.061 20 30 DGEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000303881537 1199601268 /nfs/dbraw/zinc/60/12/68/1199601268.db2.gz KYLUVDLQEYCYSO-OAHLLOKOSA-N 2 0 302.466 3.269 20 30 DGEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001692329996 1201021607 /nfs/dbraw/zinc/02/16/07/1201021607.db2.gz ROFHTGPPXKZZNR-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001208926027 1081668516 /nfs/dbraw/zinc/66/85/16/1081668516.db2.gz FIMVLGXIVJNCBU-HXUWFJFHSA-N 2 0 311.473 3.441 20 30 DGEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490660 1082925243 /nfs/dbraw/zinc/92/52/43/1082925243.db2.gz WUXYDUCPQUEHFJ-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP COc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C#N)c1 ZINC001137703606 1082994852 /nfs/dbraw/zinc/99/48/52/1082994852.db2.gz QKWQCSGXBCXPEJ-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770509 1083328683 /nfs/dbraw/zinc/32/86/83/1083328683.db2.gz ZHBRXSPHDJXCNH-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1ccc2cc(O)ccc2c1 ZINC001168363320 1087378504 /nfs/dbraw/zinc/37/85/04/1087378504.db2.gz XRJYJGNGMUMJPY-UHFFFAOYSA-N 2 0 323.440 3.125 20 30 DGEDRP Cc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c2ccccc2[nH+]1 ZINC001159104421 1088179838 /nfs/dbraw/zinc/17/98/38/1088179838.db2.gz CDCSJOVCXRDUHR-UHFFFAOYSA-N 2 0 314.392 3.267 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163275178 1090136798 /nfs/dbraw/zinc/13/67/98/1090136798.db2.gz SGAMGZCMNPABMX-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166448401 1090607308 /nfs/dbraw/zinc/60/73/08/1090607308.db2.gz SNDVNEFFQVLLKN-QGZVFWFLSA-N 2 0 313.530 3.173 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166750945 1090650854 /nfs/dbraw/zinc/65/08/54/1090650854.db2.gz NLFAZHNDDMARLH-UHFFFAOYSA-N 2 0 313.530 3.031 20 30 DGEDRP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001486466061 1090846635 /nfs/dbraw/zinc/84/66/35/1090846635.db2.gz MASVYJRUACVNMG-ABHNRTSZSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276457457 1090954146 /nfs/dbraw/zinc/95/41/46/1090954146.db2.gz MHPZMZXMNIKUGA-RRCSEMEMSA-N 2 0 321.553 3.471 20 30 DGEDRP [NH3+]CC1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205041223 1091089219 /nfs/dbraw/zinc/08/92/19/1091089219.db2.gz QXNBBEWLGQBVTB-UHFFFAOYSA-N 2 0 310.466 3.319 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560097 1091255758 /nfs/dbraw/zinc/25/57/58/1091255758.db2.gz ZNAYVEHNHDRYML-SFHVURJKSA-N 2 0 306.425 3.294 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1 ZINC001168818018 1092364291 /nfs/dbraw/zinc/36/42/91/1092364291.db2.gz OXYOIEVBNTWALF-XLIONFOSSA-N 2 0 322.456 3.011 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001169096423 1092527392 /nfs/dbraw/zinc/52/73/92/1092527392.db2.gz WHCQDIUKPJPVCJ-ZSOGYDGISA-N 2 0 311.351 3.036 20 30 DGEDRP SC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208939144 1092600145 /nfs/dbraw/zinc/60/01/45/1092600145.db2.gz GGFXARMHFBHFRB-KRWDZBQOSA-N 2 0 304.503 3.293 20 30 DGEDRP C=CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209200765 1092691218 /nfs/dbraw/zinc/69/12/18/1092691218.db2.gz OEOLRANZOJNXKK-OALUTQOASA-N 2 0 306.494 3.023 20 30 DGEDRP C=CCCCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001209433044 1092773322 /nfs/dbraw/zinc/77/33/22/1092773322.db2.gz OWCMSQYFDBPYFA-KRWDZBQOSA-N 2 0 322.493 3.082 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001276685068 1093183008 /nfs/dbraw/zinc/18/30/08/1093183008.db2.gz RSLXWSFLQVIUCF-HXUWFJFHSA-N 2 0 314.473 3.429 20 30 DGEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076676 1094391433 /nfs/dbraw/zinc/39/14/33/1094391433.db2.gz FHAMWHYPPFJXJS-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001121909529 1094822325 /nfs/dbraw/zinc/82/23/25/1094822325.db2.gz UOEPRQVBFDPFIP-GOSISDBHSA-N 2 0 315.461 3.295 20 30 DGEDRP N#CCc1ccccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173034 1095478737 /nfs/dbraw/zinc/47/87/37/1095478737.db2.gz PZMOONSJTGDTFI-HXUWFJFHSA-N 2 0 311.473 3.498 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001171178660 1095650997 /nfs/dbraw/zinc/65/09/97/1095650997.db2.gz JCOCOGKEURUGMP-KZNAEPCWSA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001171178863 1095651460 /nfs/dbraw/zinc/65/14/60/1095651460.db2.gz LHRSHWRUOLXWSS-INIZCTEOSA-N 2 0 307.441 3.341 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340106896 1095865822 /nfs/dbraw/zinc/86/58/22/1095865822.db2.gz WOVMFPBWTBPXAS-MSOLQXFVSA-N 2 0 323.525 3.009 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171247273 1095916365 /nfs/dbraw/zinc/91/63/65/1095916365.db2.gz KOUXHQFVZGTOQM-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931116 1097011114 /nfs/dbraw/zinc/01/11/14/1097011114.db2.gz SMCCPOZYEJUOIR-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171930498 1097011266 /nfs/dbraw/zinc/01/12/66/1097011266.db2.gz PVMRRVKSVLHTOU-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001172299838 1097109838 /nfs/dbraw/zinc/10/98/38/1097109838.db2.gz OSBFIEUFXGDLKJ-MRXNPFEDSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@@H](CCCC#N)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172491457 1097167904 /nfs/dbraw/zinc/16/79/04/1097167904.db2.gz HBKHLBZJKURZFB-LBOXEOMUSA-N 2 0 319.433 3.205 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001172505841 1097173431 /nfs/dbraw/zinc/17/34/31/1097173431.db2.gz VZEGTRKOHIBTHC-SJORKVTESA-N 2 0 313.530 3.349 20 30 DGEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCCCC ZINC001229173363 1097270176 /nfs/dbraw/zinc/27/01/76/1097270176.db2.gz BPRUENRBRZGAJE-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccccc2C#N)CC1 ZINC001173107786 1097331722 /nfs/dbraw/zinc/33/17/22/1097331722.db2.gz MXXZEQDTUOHVPY-UHFFFAOYSA-N 2 0 315.461 3.180 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229868166 1097402602 /nfs/dbraw/zinc/40/26/02/1097402602.db2.gz AWTNPLODFIVEEA-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CC1(C#N)CCC([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591548 1097466532 /nfs/dbraw/zinc/46/65/32/1097466532.db2.gz UIIMPRNACGYAFL-CSGOCMEYSA-N 2 0 319.493 3.210 20 30 DGEDRP CC1(C#N)CCC([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173597697 1097468061 /nfs/dbraw/zinc/46/80/61/1097468061.db2.gz DTRMJRNDJBRLNF-UHFFFAOYSA-N 2 0 307.457 3.357 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564494 1098099458 /nfs/dbraw/zinc/09/94/58/1098099458.db2.gz BNUXJFNYLYRCHM-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153156 1098839199 /nfs/dbraw/zinc/83/91/99/1098839199.db2.gz FQCROSDGILVXQT-HXUWFJFHSA-N 2 0 311.473 3.475 20 30 DGEDRP N#Cc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228329 1098901258 /nfs/dbraw/zinc/90/12/58/1098901258.db2.gz LRYBVQGNTSWDBJ-GOSISDBHSA-N 2 0 301.409 3.051 20 30 DGEDRP N#Cc1cc(F)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228540 1098901630 /nfs/dbraw/zinc/90/16/30/1098901630.db2.gz NHTCODGUIFFLBE-SFHVURJKSA-N 2 0 301.409 3.051 20 30 DGEDRP N#Cc1cc(F)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228537 1098902226 /nfs/dbraw/zinc/90/22/26/1098902226.db2.gz NHTCODGUIFFLBE-GOSISDBHSA-N 2 0 301.409 3.051 20 30 DGEDRP N#Cc1ccc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235239849 1098913261 /nfs/dbraw/zinc/91/32/61/1098913261.db2.gz JFZSQPDYIABHSZ-LJQANCHMSA-N 2 0 322.456 3.394 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178733514 1098920115 /nfs/dbraw/zinc/92/01/15/1098920115.db2.gz ONQABBSKVQPHOL-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1)c1ccccc1 ZINC001235340739 1098964694 /nfs/dbraw/zinc/96/46/94/1098964694.db2.gz LUGKHCVHOCWUKH-NRFANRHFSA-N 2 0 316.448 3.128 20 30 DGEDRP C=CCCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235368840 1098984410 /nfs/dbraw/zinc/98/44/10/1098984410.db2.gz OIUXGNRVTKMTNW-IPMKNSEASA-N 2 0 306.494 3.356 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423350 1099015379 /nfs/dbraw/zinc/01/53/79/1099015379.db2.gz GCEAVWXFSMUDNA-JKSUJKDBSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428676 1099022587 /nfs/dbraw/zinc/02/25/87/1099022587.db2.gz OSQHZPJNCGFFGG-CVEARBPZSA-N 2 0 317.864 3.423 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179140231 1099025842 /nfs/dbraw/zinc/02/58/42/1099025842.db2.gz WDZRUCPNTLFQLM-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212274 1099038251 /nfs/dbraw/zinc/03/82/51/1099038251.db2.gz JNEDECNBAUUIKS-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP N#CCC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCCC1 ZINC001235664886 1099113071 /nfs/dbraw/zinc/11/30/71/1099113071.db2.gz ZFXSDFQJRJBNAF-UHFFFAOYSA-N 2 0 322.456 3.403 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746187 1099197947 /nfs/dbraw/zinc/19/79/47/1099197947.db2.gz QIMBKNGSBGZEQL-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841421 1099205437 /nfs/dbraw/zinc/20/54/37/1099205437.db2.gz FLTHLGNVASDXMM-NRFANRHFSA-N 2 0 304.437 3.128 20 30 DGEDRP N#Cc1ccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236369563 1099554792 /nfs/dbraw/zinc/55/47/92/1099554792.db2.gz AKOSDNFNZWCDID-LJQANCHMSA-N 2 0 311.473 3.345 20 30 DGEDRP C=CCOc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236600311 1099697007 /nfs/dbraw/zinc/69/70/07/1099697007.db2.gz GGNMFYOUWJVIOC-KRWDZBQOSA-N 2 0 300.446 3.215 20 30 DGEDRP N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351125 1100954152 /nfs/dbraw/zinc/95/41/52/1100954152.db2.gz LQMUAWJBGFNEOC-HXUWFJFHSA-N 2 0 303.409 3.337 20 30 DGEDRP N#CC1(c2ccccc2-c2ccc3c(c2)C[NH2+]C3)CC[NH2+]CC1 ZINC001242677186 1102282786 /nfs/dbraw/zinc/28/27/86/1102282786.db2.gz ZVOSSHAZWZZFFN-UHFFFAOYSA-N 2 0 303.409 3.102 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246026340 1104353531 /nfs/dbraw/zinc/35/35/31/1104353531.db2.gz MPTIZPAZRFNBLV-OALUTQOASA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070399 1104364978 /nfs/dbraw/zinc/36/49/78/1104364978.db2.gz NREMTXIJKHOVQE-UFYCRDLUSA-N 2 0 316.489 3.394 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246102133 1104386090 /nfs/dbraw/zinc/38/60/90/1104386090.db2.gz RGFFVNRILHIXQP-CIELIIMNSA-N 2 0 311.473 3.420 20 30 DGEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246132546 1104399976 /nfs/dbraw/zinc/39/99/76/1104399976.db2.gz YVULEPIXDPJTNL-OTWHNJEPSA-N 2 0 309.542 3.399 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246136855 1104401410 /nfs/dbraw/zinc/40/14/10/1104401410.db2.gz YHDBAQKCWDJCMR-INIZCTEOSA-N 2 0 321.513 3.390 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CCOCCOCC[NH3+] ZINC001246285247 1104473647 /nfs/dbraw/zinc/47/36/47/1104473647.db2.gz QOGYAVOTCRTJRQ-SFHVURJKSA-N 2 0 316.530 3.343 20 30 DGEDRP CC[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327089 1104491141 /nfs/dbraw/zinc/49/11/41/1104491141.db2.gz HYHRBWUYCALACT-PIIMJCKOSA-N 2 0 315.461 3.226 20 30 DGEDRP C=C1C[C@@H]2CC([NH+]3CCC(C4=CC=C(N)C[NH2+]4)CC3)C[C@H](C1)C2 ZINC001246495739 1104564758 /nfs/dbraw/zinc/56/47/58/1104564758.db2.gz QUOAMQHLNPWWLC-MCPYQZEQSA-N 2 0 313.489 3.163 20 30 DGEDRP N#Cc1ccc(C2CCC([NH2+][C@H](C3CC3)C3C[NH2+]C3)CC2)cc1 ZINC001246514568 1104572249 /nfs/dbraw/zinc/57/22/49/1104572249.db2.gz IHYBNMCZKIACAP-RRWXTXHCSA-N 2 0 309.457 3.172 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3CC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246615380 1104629611 /nfs/dbraw/zinc/62/96/11/1104629611.db2.gz SQLPHRJFXJRRKD-SOAGJPPSSA-N 2 0 309.457 3.412 20 30 DGEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)C[NH2+]CCC4(F)F)C[C@H](C1)C2 ZINC001246639150 1104640682 /nfs/dbraw/zinc/64/06/82/1104640682.db2.gz OJZNGPYNGIRNRY-FCLJQHQZSA-N 2 0 310.432 3.442 20 30 DGEDRP C=C1C[C@@H]2CC([N@H+](CCOCC)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246948309 1104748981 /nfs/dbraw/zinc/74/89/81/1104748981.db2.gz BPWWDJSTWKQGKE-JJTKIYQPSA-N 2 0 306.494 3.212 20 30 DGEDRP CCCCCCC[C@H](C)[N@@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247011598 1104777099 /nfs/dbraw/zinc/77/70/99/1104777099.db2.gz YLPBYUIOAOZQTL-IRXDYDNUSA-N 2 0 324.509 3.210 20 30 DGEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001275975999 1104976099 /nfs/dbraw/zinc/97/60/99/1104976099.db2.gz VPCWGYUGLOQVQF-UHFFFAOYSA-N 2 0 317.502 3.153 20 30 DGEDRP C=CCCCCCCC[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001276043058 1105004587 /nfs/dbraw/zinc/00/45/87/1105004587.db2.gz RDSFJSNIGUNURU-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252612502 1105803366 /nfs/dbraw/zinc/80/33/66/1105803366.db2.gz NRZNNWOTQOFMMJ-IYWMVGAKSA-N 2 0 314.473 3.099 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001253242457 1105908684 /nfs/dbraw/zinc/90/86/84/1105908684.db2.gz LCOLTLMILPRPCT-OTWHNJEPSA-N 2 0 308.510 3.148 20 30 DGEDRP SC1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407240 1106245790 /nfs/dbraw/zinc/24/57/90/1106245790.db2.gz XTGAZVCWJIHHHI-KRWDZBQOSA-N 2 0 304.503 3.435 20 30 DGEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001255950509 1106347294 /nfs/dbraw/zinc/34/72/94/1106347294.db2.gz IOFZJOXLDOIFHX-MRXNPFEDSA-N 2 0 303.450 3.037 20 30 DGEDRP [NH2+]=C(NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001256066619 1106363550 /nfs/dbraw/zinc/36/35/50/1106363550.db2.gz JVVGKZUUWHWXOT-UHFFFAOYSA-N 2 0 311.351 3.038 20 30 DGEDRP CCOC1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001256436976 1106422808 /nfs/dbraw/zinc/42/28/08/1106422808.db2.gz KPRSWRPXLRIIPV-UHFFFAOYSA-N 2 0 303.450 3.001 20 30 DGEDRP CC(C)(C)[NH+]1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001256564260 1106445766 /nfs/dbraw/zinc/44/57/66/1106445766.db2.gz VXWVUYHKXDMAQC-UHFFFAOYSA-N 2 0 324.472 3.450 20 30 DGEDRP N#CC1CCC([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001256963971 1106516910 /nfs/dbraw/zinc/51/69/10/1106516910.db2.gz SQXPXHQBPHFKEC-ADKAHSJRSA-N 2 0 301.478 3.479 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C3CC[NH+](CCCOC)CC3)C[C@H](C1)C2 ZINC001257888343 1106641107 /nfs/dbraw/zinc/64/11/07/1106641107.db2.gz HHJHCUXMLOWOKP-JJTKIYQPSA-N 2 0 306.494 3.212 20 30 DGEDRP CCCCCCC[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001258048711 1106664033 /nfs/dbraw/zinc/66/40/33/1106664033.db2.gz XJZPSDUTIUTMAX-SFHVURJKSA-N 2 0 309.542 3.447 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001258902516 1107051048 /nfs/dbraw/zinc/05/10/48/1107051048.db2.gz FEQUCWIAOFWDCY-KRWDZBQOSA-N 2 0 317.477 3.427 20 30 DGEDRP C=CCO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001261360348 1107414446 /nfs/dbraw/zinc/41/44/46/1107414446.db2.gz ITTLOSIETUJZIA-FQEVSTJZSA-N 2 0 314.473 3.449 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000424328348 283059486 /nfs/dbraw/zinc/05/94/86/283059486.db2.gz NZQJAJBVEHNYOK-IVDHNXQLSA-N 2 0 309.457 3.464 20 30 DGEDRP COc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1C#N ZINC000281567154 216388606 /nfs/dbraw/zinc/38/86/06/216388606.db2.gz CJCPVLWTMPYNPB-UHFFFAOYSA-N 2 0 315.461 3.169 20 30 DGEDRP C=CCOc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459406590 243361074 /nfs/dbraw/zinc/36/10/74/243361074.db2.gz GPZKJNCWJDBJOE-UHFFFAOYSA-N 2 0 323.440 3.405 20 30 DGEDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000488144055 245152514 /nfs/dbraw/zinc/15/25/14/245152514.db2.gz VGGRITMCJVEJTQ-QUCCMNQESA-N 2 0 309.457 3.315 20 30 DGEDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000488144050 245152591 /nfs/dbraw/zinc/15/25/91/245152591.db2.gz VGGRITMCJVEJTQ-ICSRJNTNSA-N 2 0 309.457 3.315 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000344406135 254267164 /nfs/dbraw/zinc/26/71/64/254267164.db2.gz BJGZTNJMZQOEFQ-IBGZPJMESA-N 2 0 323.415 3.452 20 30 DGEDRP N#CCC[C@@H](C#N)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595550473 400184795 /nfs/dbraw/zinc/18/47/95/400184795.db2.gz BDZRZJHOFWAPKE-INIZCTEOSA-N 2 0 321.428 3.261 20 30 DGEDRP N#CC[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595621727 400209913 /nfs/dbraw/zinc/20/99/13/400209913.db2.gz XXRONKJYXPBWOD-QZTJIDSGSA-N 2 0 302.466 3.018 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602598693 400508353 /nfs/dbraw/zinc/50/83/53/400508353.db2.gz DCFKMUCGWUJVFG-UHFFFAOYSA-N 2 0 314.477 3.287 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000602515501 400484643 /nfs/dbraw/zinc/48/46/43/400484643.db2.gz WWZGBKMBLAHNPY-ZWKOTPCHSA-N 2 0 321.509 3.330 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000602514633 400485138 /nfs/dbraw/zinc/48/51/38/400485138.db2.gz PBDKNVIFUJMGTQ-GOSISDBHSA-N 2 0 321.509 3.187 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000602536573 400491376 /nfs/dbraw/zinc/49/13/76/400491376.db2.gz HMAKLWOKRGNEGB-SFHVURJKSA-N 2 0 321.509 3.331 20 30 DGEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596991486 400535338 /nfs/dbraw/zinc/53/53/38/400535338.db2.gz KTGPVPXVZUOQRA-UHFFFAOYSA-N 2 0 311.473 3.405 20 30 DGEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000593701979 400896189 /nfs/dbraw/zinc/89/61/89/400896189.db2.gz JHAMEMWGTJDCJI-XLIONFOSSA-N 2 0 322.456 3.195 20 30 DGEDRP N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000615224368 401033650 /nfs/dbraw/zinc/03/36/50/401033650.db2.gz NURHTZMOOHPPFE-HNNXBMFYSA-N 2 0 300.793 3.245 20 30 DGEDRP CC[N@H+](CCCSCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659758 401106433 /nfs/dbraw/zinc/10/64/33/401106433.db2.gz IKTVGCMYNHYXJO-UHFFFAOYSA-N 2 0 305.491 3.217 20 30 DGEDRP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1 ZINC000191295128 165241673 /nfs/dbraw/zinc/24/16/73/165241673.db2.gz KUDPWWBJRSWSHJ-QFBILLFUSA-N 2 0 322.456 3.039 20 30 DGEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c(F)c1 ZINC000269396704 432169382 /nfs/dbraw/zinc/16/93/82/432169382.db2.gz FDIXHJFITMLCPP-UHFFFAOYSA-N 2 0 303.425 3.443 20 30 DGEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000246855990 432174546 /nfs/dbraw/zinc/17/45/46/432174546.db2.gz KXPORJKEZMZHQY-HKUYNNGSSA-N 2 0 311.473 3.404 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185813377 228398882 /nfs/dbraw/zinc/39/88/82/228398882.db2.gz CSCKMAYEAYLHDJ-ROUUACIJSA-N 2 0 315.461 3.189 20 30 DGEDRP N#CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000342724109 229117786 /nfs/dbraw/zinc/11/77/86/229117786.db2.gz DIIXINRUXDWBKS-QUCCMNQESA-N 2 0 309.457 3.201 20 30 DGEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000367968077 271103746 /nfs/dbraw/zinc/10/37/46/271103746.db2.gz WNVBYMOTVFKMBI-MSOLQXFVSA-N 2 0 321.424 3.105 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000364853891 274916393 /nfs/dbraw/zinc/91/63/93/274916393.db2.gz SJMLWYAGLDFBTI-UHFFFAOYSA-N 2 0 309.457 3.074 20 30 DGEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123381759 431863168 /nfs/dbraw/zinc/86/31/68/431863168.db2.gz HSHIMPPZOJIWBU-UHFFFAOYSA-N 2 0 315.461 3.121 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000123623028 431869756 /nfs/dbraw/zinc/86/97/56/431869756.db2.gz BIFVUECTYGSGCX-UHFFFAOYSA-N 2 0 324.472 3.365 20 30 DGEDRP N#CC1CC[NH+](Cc2ccccc2C[NH+]2CCC(C#N)CC2)CC1 ZINC000057872698 431994228 /nfs/dbraw/zinc/99/42/28/431994228.db2.gz RBAKSDFLOMTKPE-UHFFFAOYSA-N 2 0 322.456 3.158 20 30 DGEDRP C[NH+]1CCC(C)(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000272391463 432493544 /nfs/dbraw/zinc/49/35/44/432493544.db2.gz LHRHXKVIQMFZMF-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177821858 432664815 /nfs/dbraw/zinc/66/48/15/432664815.db2.gz OQDMHUKTUVRCPR-RVKKMQEKSA-N 2 0 317.502 3.110 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453376846 433133283 /nfs/dbraw/zinc/13/32/83/433133283.db2.gz YDBKYYQBNGHBLN-IPELMVKDSA-N 2 0 318.461 3.011 20 30 DGEDRP COc1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1C#N ZINC000281691443 433349592 /nfs/dbraw/zinc/34/95/92/433349592.db2.gz NCUUKOWFURQJNZ-QGZVFWFLSA-N 2 0 303.450 3.023 20 30 DGEDRP N#Cc1ccc(CN2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000291794481 433355713 /nfs/dbraw/zinc/35/57/13/433355713.db2.gz WNQDDCAUZAJZIH-UHFFFAOYSA-N 2 0 319.399 3.158 20 30 DGEDRP CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452683 433500417 /nfs/dbraw/zinc/50/04/17/433500417.db2.gz YFESCRNDSFDISP-QAPCUYQASA-N 2 0 304.865 3.496 20 30 DGEDRP C=CCOCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000293074213 433612827 /nfs/dbraw/zinc/61/28/27/433612827.db2.gz MBEXCXSUHFVZCS-UHFFFAOYSA-N 2 0 302.462 3.033 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414856172 433888987 /nfs/dbraw/zinc/88/89/87/433888987.db2.gz NZXBNNMWCRGRCE-UKRRQHHQSA-N 2 0 308.853 3.383 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285640638 434023828 /nfs/dbraw/zinc/02/38/28/434023828.db2.gz LUFIRDPFGZJEMK-ZWKOTPCHSA-N 2 0 319.493 3.149 20 30 DGEDRP C=CCC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355630 434338392 /nfs/dbraw/zinc/33/83/92/434338392.db2.gz HATRNMJLCAXPRN-DLBZAZTESA-N 2 0 306.450 3.377 20 30 DGEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476775 434440154 /nfs/dbraw/zinc/44/01/54/434440154.db2.gz RJMHGPKTIDOMJH-WLWJZTKJSA-N 2 0 315.436 3.191 20 30 DGEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476773 434441561 /nfs/dbraw/zinc/44/15/61/434441561.db2.gz RJMHGPKTIDOMJH-JZGRTCEGSA-N 2 0 315.436 3.191 20 30 DGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366659919 434477019 /nfs/dbraw/zinc/47/70/19/434477019.db2.gz BNOAHOMXLXSCFZ-QFBILLFUSA-N 2 0 306.494 3.354 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459732740 434685077 /nfs/dbraw/zinc/68/50/77/434685077.db2.gz MUBHTZRZOSOSCG-INIZCTEOSA-N 2 0 318.461 3.082 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424384233 434716800 /nfs/dbraw/zinc/71/68/00/434716800.db2.gz VACAVMMRAUNSOT-MRXNPFEDSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCCC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000639306224 435237772 /nfs/dbraw/zinc/23/77/72/435237772.db2.gz LQVPHTMKDHWFJZ-UHFFFAOYSA-N 2 0 308.510 3.338 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000516702101 435548173 /nfs/dbraw/zinc/54/81/73/435548173.db2.gz KUUXISYJOHSTHO-WMZOPIPTSA-N 2 0 312.461 3.040 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655826548 435825813 /nfs/dbraw/zinc/82/58/13/435825813.db2.gz IFEOBYMMYGNPQZ-GASCZTMLSA-N 2 0 308.853 3.335 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786239 436045886 /nfs/dbraw/zinc/04/58/86/436045886.db2.gz QNOCHIDLQRGEAR-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651322007 436164490 /nfs/dbraw/zinc/16/44/90/436164490.db2.gz PSYJGYPQBYVTBD-XUVXKRRUSA-N 2 0 314.473 3.222 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812580 436313951 /nfs/dbraw/zinc/31/39/51/436313951.db2.gz TUOYCUJWYQIGOC-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657837398 436321721 /nfs/dbraw/zinc/32/17/21/436321721.db2.gz ZMUFSNHGVQJDRB-RTBURBONSA-N 2 0 307.526 3.129 20 30 DGEDRP C=CC[C@@H]1[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000501876070 340090151 /nfs/dbraw/zinc/09/01/51/340090151.db2.gz SUYIONUVSULNEC-IBGZPJMESA-N 2 0 321.553 3.469 20 30 DGEDRP C=C(C)C[N@@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000505887267 340180841 /nfs/dbraw/zinc/18/08/41/340180841.db2.gz VSQCTSMCUCRPNI-UHFFFAOYSA-N 2 0 301.478 3.227 20 30 DGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345760287 533926029 /nfs/dbraw/zinc/92/60/29/533926029.db2.gz UABRYNLWYUGXEW-IRXDYDNUSA-N 2 0 321.509 3.138 20 30 DGEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000185813615 534747918 /nfs/dbraw/zinc/74/79/18/534747918.db2.gz CIJRAPWBNYJETD-XUVXKRRUSA-N 2 0 311.473 3.223 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000442925812 526865352 /nfs/dbraw/zinc/86/53/52/526865352.db2.gz WXIBWCSDJQVOMO-AWEZNQCLSA-N 2 0 308.853 3.466 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000442925946 526867095 /nfs/dbraw/zinc/86/70/95/526867095.db2.gz WXIBWCSDJQVOMO-CQSZACIVSA-N 2 0 308.853 3.466 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357057605 526932260 /nfs/dbraw/zinc/93/22/60/526932260.db2.gz UMORAYPCHYQQEP-KRWDZBQOSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CC[NH+](CC=C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678120937 548616249 /nfs/dbraw/zinc/61/62/49/548616249.db2.gz RXADIZLSBWJNEB-UHFFFAOYSA-N 2 0 300.446 3.335 20 30 DGEDRP C[C@@]1(C#N)CC[NH+](CCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686070 620641058 /nfs/dbraw/zinc/64/10/58/620641058.db2.gz FEXVPKMHZWQCEX-ROUUACIJSA-N 2 0 302.466 3.018 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000926369619 617979211 /nfs/dbraw/zinc/97/92/11/617979211.db2.gz HFZGKIDNEUSGNP-SJORKVTESA-N 2 0 303.837 3.318 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746881 619669413 /nfs/dbraw/zinc/66/94/13/619669413.db2.gz ADOBGPCGKBAAGH-IXDOHACOSA-N 2 0 314.477 3.362 20 30 DGEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902835667 619682074 /nfs/dbraw/zinc/68/20/74/619682074.db2.gz MYXIJMPMEFGEMR-INIZCTEOSA-N 2 0 314.477 3.362 20 30 DGEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158303 619726976 /nfs/dbraw/zinc/72/69/76/619726976.db2.gz HLZJQHSFWYZQPK-IVZBYUQCSA-N 2 0 307.441 3.293 20 30 DGEDRP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000903463425 619777206 /nfs/dbraw/zinc/77/72/06/619777206.db2.gz ASKXCQRJTRRHFO-QGZVFWFLSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CCC1 ZINC000903759611 619809015 /nfs/dbraw/zinc/80/90/15/619809015.db2.gz BHWFPJQMLRWWGQ-ROUUACIJSA-N 2 0 319.493 3.069 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490964 621197725 /nfs/dbraw/zinc/19/77/25/621197725.db2.gz UDVDJPBPPVIIKR-IRXDYDNUSA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765623 621991593 /nfs/dbraw/zinc/99/15/93/621991593.db2.gz DXWKVDZUIDWMIZ-UHFFFAOYSA-N 2 0 314.473 3.441 20 30 DGEDRP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769471002 622530802 /nfs/dbraw/zinc/53/08/02/622530802.db2.gz PTIVQNQDSACYHB-FUHWJXTLSA-N 2 0 300.446 3.003 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294116 623106223 /nfs/dbraw/zinc/10/62/23/623106223.db2.gz SUHBIXVUQDOIGQ-CVEARBPZSA-N 2 0 304.434 3.035 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125807351 623562755 /nfs/dbraw/zinc/56/27/55/623562755.db2.gz WEWPSDWOXLNYTA-ZWKOTPCHSA-N 2 0 314.473 3.470 20 30 DGEDRP CN(c1ccccc1C=[NH+]OC1CCC1)C1CC[NH+](C)CC1 ZINC000812235167 627362761 /nfs/dbraw/zinc/36/27/61/627362761.db2.gz NTWFLMPVZKNICU-UHFFFAOYSA-N 2 0 301.434 3.120 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000104181352 627412813 /nfs/dbraw/zinc/41/28/13/627412813.db2.gz AVXOTYOGVDOKBO-MRXNPFEDSA-N 2 0 302.466 3.150 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@H](C)C1 ZINC000925079643 627706778 /nfs/dbraw/zinc/70/67/78/627706778.db2.gz YCYIAJCEDVAAHJ-IKGGRYGDSA-N 2 0 309.498 3.041 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817416121 627897145 /nfs/dbraw/zinc/89/71/45/627897145.db2.gz JUCXPTOZZMIXHA-UHFFFAOYSA-N 2 0 300.446 3.051 20 30 DGEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000846178851 631213950 /nfs/dbraw/zinc/21/39/50/631213950.db2.gz XVPZHTKRYXOZOH-INIZCTEOSA-N 2 0 303.450 3.217 20 30 DGEDRP C[N@H+]1CC=C(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849016883 631808212 /nfs/dbraw/zinc/80/82/12/631808212.db2.gz OWKVWJKAKYNXPP-UHFFFAOYSA-N 2 0 312.461 3.202 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246877053 655826615 /nfs/dbraw/zinc/82/66/15/655826615.db2.gz DEXGOOWMOSWOIJ-RYQLBKOJSA-N 2 0 300.446 3.222 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303259148 657526199 /nfs/dbraw/zinc/52/61/99/657526199.db2.gz LUEVNBHNHPJTMY-JKSUJKDBSA-N 2 0 316.493 3.264 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303713511 657557374 /nfs/dbraw/zinc/55/73/74/657557374.db2.gz QUZVBYOBZADQGU-INIZCTEOSA-N 2 0 302.466 3.022 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C)cc1 ZINC000303770229 657561136 /nfs/dbraw/zinc/56/11/36/657561136.db2.gz BREPFVPIAMBWNW-QGZVFWFLSA-N 2 0 304.482 3.342 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303777536 657561895 /nfs/dbraw/zinc/56/18/95/657561895.db2.gz IXQHXJKRCPOELW-UHFFFAOYSA-N 2 0 316.493 3.075 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC000303790843 657564041 /nfs/dbraw/zinc/56/40/41/657564041.db2.gz WXKGGRRRPQBLHX-QGZVFWFLSA-N 2 0 302.466 3.150 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000303886658 657571776 /nfs/dbraw/zinc/57/17/76/657571776.db2.gz KLWXKCYSGVXWNE-CABCVRRESA-N 2 0 302.466 3.239 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCCCCCC[NH+](C)C)cc1 ZINC000303885480 657572069 /nfs/dbraw/zinc/57/20/69/657572069.db2.gz NFKGMJUVPUILKB-UHFFFAOYSA-N 2 0 304.482 3.488 20 30 DGEDRP COc1cccc(NC(=[NH2+])NCCC[N@H+](C)C2CCCCC2)c1 ZINC000303906478 657578943 /nfs/dbraw/zinc/57/89/43/657578943.db2.gz WCVWDXWJJRXHGC-UHFFFAOYSA-N 2 0 318.465 3.076 20 30 DGEDRP CC(C)(C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303978199 657583726 /nfs/dbraw/zinc/58/37/26/657583726.db2.gz MCJZJPIOWTXEJO-UHFFFAOYSA-N 2 0 316.493 3.265 20 30 DGEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304651829 657640831 /nfs/dbraw/zinc/64/08/31/657640831.db2.gz GZJOAGZICGFELN-HNNXBMFYSA-N 2 0 314.477 3.024 20 30 DGEDRP CCCCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304754289 657647661 /nfs/dbraw/zinc/64/76/61/657647661.db2.gz LTQOMFCCFDXERR-INIZCTEOSA-N 2 0 316.493 3.354 20 30 DGEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000304749384 657647811 /nfs/dbraw/zinc/64/78/11/657647811.db2.gz HRGNXEOHLZNJOV-MRXNPFEDSA-N 2 0 318.465 3.075 20 30 DGEDRP C[N@H+](CCNC(=[NH2+])Nc1cccc2c1CCCC2)C1CCCC1 ZINC000304763673 657650001 /nfs/dbraw/zinc/65/00/01/657650001.db2.gz XCIVXFDAEMUKMX-UHFFFAOYSA-N 2 0 314.477 3.166 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303267061 657672848 /nfs/dbraw/zinc/67/28/48/657672848.db2.gz WQRIZZKVAUTVMR-CVEARBPZSA-N 2 0 316.493 3.264 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000305796219 658048914 /nfs/dbraw/zinc/04/89/14/658048914.db2.gz ANLLPSOCMCQITA-MRXNPFEDSA-N 2 0 302.466 3.295 20 30 DGEDRP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCCC1 ZINC000237376002 658376859 /nfs/dbraw/zinc/37/68/59/658376859.db2.gz IRRMAFDLOFQRFE-KRWDZBQOSA-N 2 0 315.461 3.191 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000237501308 658722088 /nfs/dbraw/zinc/72/20/88/658722088.db2.gz DIFTUOQWRNRWON-SFHVURJKSA-N 2 0 314.473 3.443 20 30 DGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(C#N)c1 ZINC000931271345 661463196 /nfs/dbraw/zinc/46/31/96/661463196.db2.gz IDTXPURHSYRBGY-UHFFFAOYSA-N 2 0 308.429 3.037 20 30 DGEDRP C#CCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247237381 662305004 /nfs/dbraw/zinc/30/50/04/662305004.db2.gz WQSXFSJKKCYLHN-PXNSSMCTSA-N 2 0 324.468 3.147 20 30 DGEDRP C#CC[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805898 685289031 /nfs/dbraw/zinc/28/90/31/685289031.db2.gz XMJKZYUGGNCIAL-XUVXKRRUSA-N 2 0 300.490 3.236 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001577426207 1191900895 /nfs/dbraw/zinc/90/08/95/1191900895.db2.gz ITFGZEPGSJRNQH-HOTGVXAUSA-N 2 0 310.482 3.010 20 30 DGEDRP CCCn1ccnc1CCC[N@H+](C)CC1CCC(C#N)CC1 ZINC001334882177 1178822130 /nfs/dbraw/zinc/82/21/30/1178822130.db2.gz CZWXASZPXMTRFL-UHFFFAOYSA-N 2 0 302.466 3.487 20 30 DGEDRP CCCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001655207033 1195889992 /nfs/dbraw/zinc/88/99/92/1195889992.db2.gz UGNHSYOBYBKPTJ-UHFFFAOYSA-N 2 0 303.494 3.498 20 30 DGEDRP C=C[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001665298799 1197120432 /nfs/dbraw/zinc/12/04/32/1197120432.db2.gz TVDZILOUNVREPZ-QUCCMNQESA-N 2 0 316.489 3.061 20 30 DGEDRP CCCCCCCCCCCC[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000318731889 1199834125 /nfs/dbraw/zinc/83/41/25/1199834125.db2.gz IZZDDWGEPTZKJH-UHFFFAOYSA-N 2 0 309.542 3.497 20 30 DGEDRP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001725242218 1204126012 /nfs/dbraw/zinc/12/60/12/1204126012.db2.gz NQQINKVHLNRADE-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738090 1204320642 /nfs/dbraw/zinc/32/06/42/1204320642.db2.gz HUPURGQOBBHDBC-UHFFFAOYSA-N 2 0 323.444 3.033 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809424 1081658132 /nfs/dbraw/zinc/65/81/32/1081658132.db2.gz HBVHILMINZORPE-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109734629 1081904644 /nfs/dbraw/zinc/90/46/44/1081904644.db2.gz UQGYTOVTXYNCKB-OWSLCNJRSA-N 2 0 323.525 3.019 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868158 1081925635 /nfs/dbraw/zinc/92/56/35/1081925635.db2.gz DSHPGEJJODMZRQ-SQNIBIBYSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCOc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001648882507 1081953187 /nfs/dbraw/zinc/95/31/87/1081953187.db2.gz RWSMQJMAFLJHLZ-KRWDZBQOSA-N 2 0 302.462 3.463 20 30 DGEDRP C[C@H]1[C@H]2CC[N@@H+]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170364808 1082354164 /nfs/dbraw/zinc/35/41/64/1082354164.db2.gz GJJZDYXXLJLWJM-IMUWELDYSA-N 2 0 323.484 3.463 20 30 DGEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132364411 1082890377 /nfs/dbraw/zinc/89/03/77/1082890377.db2.gz CKSBDGPVZLGAKZ-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185601166 1084484479 /nfs/dbraw/zinc/48/44/79/1084484479.db2.gz YPNNJGGFMDOYFX-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560096 1091255085 /nfs/dbraw/zinc/25/50/85/1091255085.db2.gz ZNAYVEHNHDRYML-GOSISDBHSA-N 2 0 306.425 3.294 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001138663932 1091278946 /nfs/dbraw/zinc/27/89/46/1091278946.db2.gz GMSOEWSINNBAPQ-UHFFFAOYSA-N 2 0 302.462 3.415 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1 ZINC001138771408 1091322274 /nfs/dbraw/zinc/32/22/74/1091322274.db2.gz ORBZVBMYBJJQRH-UHFFFAOYSA-N 2 0 315.461 3.285 20 30 DGEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2)c1 ZINC001206622879 1091693154 /nfs/dbraw/zinc/69/31/54/1091693154.db2.gz IHNATMHOKGBINN-GOSISDBHSA-N 2 0 320.440 3.181 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(C#N)c1 ZINC001206755131 1091724760 /nfs/dbraw/zinc/72/47/60/1091724760.db2.gz CBLFCOJJDYVDOG-UHFFFAOYSA-N 2 0 319.452 3.359 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863616 1092550326 /nfs/dbraw/zinc/55/03/26/1092550326.db2.gz JDINSUJFLGTMPP-UHFFFAOYSA-N 2 0 320.440 3.017 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC001276684908 1093181463 /nfs/dbraw/zinc/18/14/63/1093181463.db2.gz PCVVTTDGBQDIQL-LJQANCHMSA-N 2 0 300.446 3.038 20 30 DGEDRP C[C@@H]1C[C@H](OCC[S+](c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001217790659 1094494748 /nfs/dbraw/zinc/49/47/48/1094494748.db2.gz WKULFHDDEBTDEN-SJORKVTESA-N 2 0 314.474 3.490 20 30 DGEDRP C[C@@H]1[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217908183 1094514638 /nfs/dbraw/zinc/51/46/38/1094514638.db2.gz OYAGOICJMHCGMT-MAUKXSAKSA-N 2 0 300.447 3.100 20 30 DGEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001121909530 1094822161 /nfs/dbraw/zinc/82/21/61/1094822161.db2.gz UOEPRQVBFDPFIP-SFHVURJKSA-N 2 0 315.461 3.295 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001121983418 1094858181 /nfs/dbraw/zinc/85/81/81/1094858181.db2.gz ZHAUCGIAOLPWGA-QGZVFWFLSA-N 2 0 311.514 3.007 20 30 DGEDRP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000315580812 1095117603 /nfs/dbraw/zinc/11/76/03/1095117603.db2.gz MYKJLAYLJKABKR-OAHLLOKOSA-N 2 0 301.434 3.114 20 30 DGEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726592 1095358422 /nfs/dbraw/zinc/35/84/22/1095358422.db2.gz JTQPSRYZGBJVID-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171122313 1095439669 /nfs/dbraw/zinc/43/96/69/1095439669.db2.gz YFSJCVZKZVSMPJ-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#CC1(Nc2cccc(C[NH3+])c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276789 1096024013 /nfs/dbraw/zinc/02/40/13/1096024013.db2.gz IDVMKSAENGQSRT-UHFFFAOYSA-N 2 0 320.440 3.116 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146715356 1096092926 /nfs/dbraw/zinc/09/29/26/1096092926.db2.gz UHUXVGSVWWKRPY-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001273447133 1096480039 /nfs/dbraw/zinc/48/00/39/1096480039.db2.gz VHYJHXNAMJRQTG-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172300413 1097094000 /nfs/dbraw/zinc/09/40/00/1097094000.db2.gz WFOHEHBBEGSNSA-KRWDZBQOSA-N 2 0 319.452 3.439 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001172299565 1097109660 /nfs/dbraw/zinc/10/96/60/1097109660.db2.gz LPKGPLRNSSVNKH-CQSZACIVSA-N 2 0 304.397 3.213 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172298087 1097109893 /nfs/dbraw/zinc/10/98/93/1097109893.db2.gz CQHVSGYJPYFUSG-YSSFQJQWSA-N 2 0 311.473 3.471 20 30 DGEDRP CC[C@H](C)OCC[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001172339149 1097118554 /nfs/dbraw/zinc/11/85/54/1097118554.db2.gz NYPCTVCWRGNDEC-CABCVRRESA-N 2 0 305.466 3.247 20 30 DGEDRP COc1cccc(CC2([NH3+])CC[NH+]([C@H](C)CCCC#N)CC2)c1 ZINC001172492893 1097168048 /nfs/dbraw/zinc/16/80/48/1097168048.db2.gz PLCJLPLQJZPVOE-MRXNPFEDSA-N 2 0 315.461 3.113 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H](C)CCCC#N)C[C@H]3C2)cc1 ZINC001172493424 1097169244 /nfs/dbraw/zinc/16/92/44/1097169244.db2.gz ANQOAZZQWOLDEX-DFQSSKMNSA-N 2 0 311.473 3.441 20 30 DGEDRP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001173309656 1097407696 /nfs/dbraw/zinc/40/76/96/1097407696.db2.gz JCCAWBSADJWDPQ-CVEARBPZSA-N 2 0 300.487 3.243 20 30 DGEDRP C=CCOC1CCC([NH+]2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001173325242 1097416686 /nfs/dbraw/zinc/41/66/86/1097416686.db2.gz HVNJPENSPVPWGM-UHFFFAOYSA-N 2 0 315.461 3.026 20 30 DGEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176111447 1098263061 /nfs/dbraw/zinc/26/30/61/1098263061.db2.gz HZSSTFNYOZGWIS-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176582511 1098379560 /nfs/dbraw/zinc/37/95/60/1098379560.db2.gz GXACCTPCCYPEDJ-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001277873654 1098633670 /nfs/dbraw/zinc/63/36/70/1098633670.db2.gz ZXRFCZQPAPVRBP-INIZCTEOSA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235002410 1098744243 /nfs/dbraw/zinc/74/42/43/1098744243.db2.gz PILHAHMVMRLRDF-MOPGFXCFSA-N 2 0 310.526 3.421 20 30 DGEDRP C#Cc1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)cc1 ZINC001235095980 1098797396 /nfs/dbraw/zinc/79/73/96/1098797396.db2.gz ZFXWUQLQQAPTBS-UHFFFAOYSA-N 2 0 316.448 3.305 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c[nH]c21 ZINC001235156309 1098841187 /nfs/dbraw/zinc/84/11/87/1098841187.db2.gz PJLMWJBBGSNNCT-LJQANCHMSA-N 2 0 322.456 3.394 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468354 1098842566 /nfs/dbraw/zinc/84/25/66/1098842566.db2.gz UGTKORVOWIJYKD-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235227835 1098901042 /nfs/dbraw/zinc/90/10/42/1098901042.db2.gz JFHHZDSGMUFSBR-IBGZPJMESA-N 2 0 322.456 3.394 20 30 DGEDRP N#Cc1cccc(CCC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235234485 1098908115 /nfs/dbraw/zinc/90/81/15/1098908115.db2.gz YUARDWAQLXBMQC-FQEVSTJZSA-N 2 0 311.473 3.345 20 30 DGEDRP N#Cc1cccc(CCC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235234487 1098908244 /nfs/dbraw/zinc/90/82/44/1098908244.db2.gz YUARDWAQLXBMQC-HXUWFJFHSA-N 2 0 311.473 3.345 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)s1 ZINC001235340518 1098964073 /nfs/dbraw/zinc/96/40/73/1098964073.db2.gz KJEIXEOUKDQKQR-KRWDZBQOSA-N 2 0 322.477 3.189 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235370717 1098984360 /nfs/dbraw/zinc/98/43/60/1098984360.db2.gz WJQNGXZMHRALHM-OKMMTOMJSA-N 2 0 306.494 3.356 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425555 1099019454 /nfs/dbraw/zinc/01/94/54/1099019454.db2.gz LVSACYOOLHJIAV-WOJBJXKFSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427799 1099021244 /nfs/dbraw/zinc/02/12/44/1099021244.db2.gz NNMQZUXYCWBJCW-LSDHHAIUSA-N 2 0 317.864 3.423 20 30 DGEDRP C[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235472340 1099057262 /nfs/dbraw/zinc/05/72/62/1099057262.db2.gz JGOKDRMDYLUZRW-UHFFFAOYSA-N 2 0 304.437 3.270 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701393 1099136270 /nfs/dbraw/zinc/13/62/70/1099136270.db2.gz AVCSIYXPSYCSKY-UHFFFAOYSA-N 2 0 311.473 3.332 20 30 DGEDRP C#CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC001235835583 1099200513 /nfs/dbraw/zinc/20/05/13/1099200513.db2.gz YEKOWQCKFQZGPL-JOCHJYFZSA-N 2 0 316.448 3.455 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1)c1ccccc1 ZINC001235934711 1099268870 /nfs/dbraw/zinc/26/88/70/1099268870.db2.gz CWHBDLJYQWUIBW-FCHUYYIVSA-N 2 0 316.448 3.128 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235963014 1099294620 /nfs/dbraw/zinc/29/46/20/1099294620.db2.gz QYQZCSGVNGEYOV-UHFFFAOYSA-N 2 0 324.424 3.062 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365747 1099398858 /nfs/dbraw/zinc/39/88/58/1099398858.db2.gz GBHKEKYRIOTXBV-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP [NH3+]Cc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1 ZINC001236302700 1099524147 /nfs/dbraw/zinc/52/41/47/1099524147.db2.gz CDAFIKXALZBBFJ-UHFFFAOYSA-N 2 0 304.437 3.409 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314410 1099528634 /nfs/dbraw/zinc/52/86/34/1099528634.db2.gz DFWKGXOUAXXQLM-CALCHBBNSA-N 2 0 300.446 3.073 20 30 DGEDRP N#Cc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236374420 1099561042 /nfs/dbraw/zinc/56/10/42/1099561042.db2.gz RCTBFIPQNIAYKM-INIZCTEOSA-N 2 0 315.436 3.442 20 30 DGEDRP C=CC[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001236434119 1099609045 /nfs/dbraw/zinc/60/90/45/1099609045.db2.gz OHDXIJJCVLLCDX-UHFFFAOYSA-N 2 0 313.489 3.417 20 30 DGEDRP C#CCOc1ccc(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236571420 1099684005 /nfs/dbraw/zinc/68/40/05/1099684005.db2.gz CNPPUZCXAMZAOU-UAPYVXQJSA-N 2 0 312.457 3.323 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236599584 1099695536 /nfs/dbraw/zinc/69/55/36/1099695536.db2.gz SYRFLRRDZRUUIR-KRWDZBQOSA-N 2 0 300.446 3.215 20 30 DGEDRP C[C@]1(C[NH3+])CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001236604799 1099699217 /nfs/dbraw/zinc/69/92/17/1099699217.db2.gz ODBWXOJGPBSRPH-LJQANCHMSA-N 2 0 310.466 3.319 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]12 ZINC001236821492 1099806969 /nfs/dbraw/zinc/80/69/69/1099806969.db2.gz VCQRNQPVEXRXDD-YPAWHYETSA-N 2 0 316.448 3.256 20 30 DGEDRP N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240355024 1100956174 /nfs/dbraw/zinc/95/61/74/1100956174.db2.gz AMKNBDOFSWLUTB-HXUWFJFHSA-N 2 0 321.399 3.476 20 30 DGEDRP N#Cc1cc(F)cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001241658912 1101613923 /nfs/dbraw/zinc/61/39/23/1101613923.db2.gz OLQXAWSYRAJPSA-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP Cn1cncc1C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001198771493 1101981400 /nfs/dbraw/zinc/98/14/00/1101981400.db2.gz WKXBXZOWEFURLB-UHFFFAOYSA-N 2 0 314.820 3.325 20 30 DGEDRP COc1cccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1C#N ZINC001242301520 1102040562 /nfs/dbraw/zinc/04/05/62/1102040562.db2.gz QGMQQRWGMAVVFU-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP CCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201846188 1102744515 /nfs/dbraw/zinc/74/45/15/1102744515.db2.gz DOQQYVFDEJOWAE-MOPGFXCFSA-N 2 0 309.542 3.447 20 30 DGEDRP Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1C#N ZINC001244493669 1103479354 /nfs/dbraw/zinc/47/93/54/1103479354.db2.gz FBFNQGUWNMWGCX-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258715874 1103512548 /nfs/dbraw/zinc/51/25/48/1103512548.db2.gz NCXNXIMVPMNEFL-CVEARBPZSA-N 2 0 300.487 3.099 20 30 DGEDRP N#Cc1ccc(F)c(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001244556405 1103518646 /nfs/dbraw/zinc/51/86/46/1103518646.db2.gz JAOKEQDTAZDVMM-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC001202750102 1104203621 /nfs/dbraw/zinc/20/36/21/1104203621.db2.gz NSNDEPJZVAIYQI-UHFFFAOYSA-N 2 0 305.381 3.026 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001245988597 1104346733 /nfs/dbraw/zinc/34/67/33/1104346733.db2.gz IOPQBHAMXSZZHA-QYZOEREBSA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246007404 1104353130 /nfs/dbraw/zinc/35/31/30/1104353130.db2.gz ZYOMAIWLADKEAL-BZSNNMDCSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246014435 1104353238 /nfs/dbraw/zinc/35/32/38/1104353238.db2.gz OCPYENGPNHHSHN-GOSISDBHSA-N 2 0 308.510 3.340 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246025439 1104355761 /nfs/dbraw/zinc/35/57/61/1104355761.db2.gz YJNDAAWPTFUFBN-SJORKVTESA-N 2 0 300.462 3.027 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246035049 1104358099 /nfs/dbraw/zinc/35/80/99/1104358099.db2.gz NQVANSVCRDGADY-HKUYNNGSSA-N 2 0 310.526 3.419 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069954 1104364343 /nfs/dbraw/zinc/36/43/43/1104364343.db2.gz ZTKWKHFFAOEBDD-UFYCRDLUSA-N 2 0 316.489 3.394 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@]3(C(F)(F)F)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246116097 1104395148 /nfs/dbraw/zinc/39/51/48/1104395148.db2.gz UVRWIJUAQYJZBS-IXXDHKBRSA-N 2 0 302.384 3.253 20 30 DGEDRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246122131 1104396439 /nfs/dbraw/zinc/39/64/39/1104396439.db2.gz WEVGOPLHVREWPG-QREPNTDJSA-N 2 0 311.473 3.226 20 30 DGEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246132549 1104399494 /nfs/dbraw/zinc/39/94/94/1104399494.db2.gz YVULEPIXDPJTNL-QRVBRYPASA-N 2 0 309.542 3.399 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH2+]CCOCCOCC[NH3+] ZINC001246281858 1104472004 /nfs/dbraw/zinc/47/20/04/1104472004.db2.gz AJMMXYHYRMLWCG-QGZVFWFLSA-N 2 0 302.503 3.097 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH2+]CCOCCOCC[NH3+] ZINC001246286460 1104475665 /nfs/dbraw/zinc/47/56/65/1104475665.db2.gz YSMDHBFPAHZBJU-KRWDZBQOSA-N 2 0 302.503 3.097 20 30 DGEDRP CC[C@@H]1CC(n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@@H](CC)[NH2+]1 ZINC001246327840 1104490465 /nfs/dbraw/zinc/49/04/65/1104490465.db2.gz UWAVEZBZRZAKAQ-IAGOWNOFSA-N 2 0 324.472 3.496 20 30 DGEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275032204 1104586418 /nfs/dbraw/zinc/58/64/18/1104586418.db2.gz KERIIZHHPAKOBY-HDICACEKSA-N 2 0 324.472 3.040 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550911 1104590987 /nfs/dbraw/zinc/59/09/87/1104590987.db2.gz ZKMGPAMAOGYHDN-VIQWUECVSA-N 2 0 315.436 3.343 20 30 DGEDRP CCCCCCC[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275131371 1104638187 /nfs/dbraw/zinc/63/81/87/1104638187.db2.gz QKTUGQZTPZHBAA-KDURUIRLSA-N 2 0 309.542 3.162 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246666943 1104654794 /nfs/dbraw/zinc/65/47/94/1104654794.db2.gz SWWLBQUNLGFZNN-UZLBHIALSA-N 2 0 311.473 3.343 20 30 DGEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001275296180 1104711877 /nfs/dbraw/zinc/71/18/77/1104711877.db2.gz UMQYVZHWSXDPPK-HDICACEKSA-N 2 0 324.472 3.040 20 30 DGEDRP C=CCCCCC[NH2+][C@@]12CC[C@@]([NH2+]COCCOC)(C1)CCC2 ZINC001276040498 1105003223 /nfs/dbraw/zinc/00/32/23/1105003223.db2.gz PMYGYOUQINENBB-RBUKOAKNSA-N 2 0 324.509 3.378 20 30 DGEDRP C=CCCCCCC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276041952 1105004661 /nfs/dbraw/zinc/00/46/61/1105004661.db2.gz RZCNFTYNOURPNC-FQEVSTJZSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276042089 1105004781 /nfs/dbraw/zinc/00/47/81/1105004781.db2.gz VYEFUSHDZCVLMJ-UHFFFAOYSA-N 2 0 316.493 3.444 20 30 DGEDRP C=CCOc1cccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001276091369 1105015062 /nfs/dbraw/zinc/01/50/62/1105015062.db2.gz ONAVBCPVSHUVFO-IBGZPJMESA-N 2 0 300.446 3.169 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001248752834 1105155157 /nfs/dbraw/zinc/15/51/57/1105155157.db2.gz DCYQUCQXOIKYOW-UHFFFAOYSA-N 2 0 320.440 3.146 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001252134845 1105748053 /nfs/dbraw/zinc/74/80/53/1105748053.db2.gz ZKIKXYJARNIHSF-QRVBRYPASA-N 2 0 310.526 3.372 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001253227257 1105904818 /nfs/dbraw/zinc/90/48/18/1105904818.db2.gz FWDDZEGJOONEJC-IBGZPJMESA-N 2 0 317.477 3.091 20 30 DGEDRP C=CC[N@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001254041960 1106012274 /nfs/dbraw/zinc/01/22/74/1106012274.db2.gz PKJJOUTUJFFRKY-UHFFFAOYSA-N 2 0 316.489 3.300 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001254651030 1106122382 /nfs/dbraw/zinc/12/23/82/1106122382.db2.gz ZWAHQUKHEQZXED-AEFFLSMTSA-N 2 0 315.436 3.320 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001254668674 1106128760 /nfs/dbraw/zinc/12/87/60/1106128760.db2.gz HTYGRVUVTXHCPQ-RBUKOAKNSA-N 2 0 309.457 3.277 20 30 DGEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CCN(Cc3ccccc3)C2)cc1C ZINC001255110067 1106181352 /nfs/dbraw/zinc/18/13/52/1106181352.db2.gz YQTRQSKGTRSBHA-LJQANCHMSA-N 2 0 307.441 3.283 20 30 DGEDRP CC[NH+](CC)CC[C@@H](C)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001255951251 1106348214 /nfs/dbraw/zinc/34/82/14/1106348214.db2.gz OTNANBRCGXSBRB-OAHLLOKOSA-N 2 0 312.461 3.307 20 30 DGEDRP CC(C)[NH+]1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001257210585 1106551704 /nfs/dbraw/zinc/55/17/04/1106551704.db2.gz UJFYFNVWRFHNAK-UHFFFAOYSA-N 2 0 310.445 3.059 20 30 DGEDRP CC(C)[NH+]1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001257210420 1106551767 /nfs/dbraw/zinc/55/17/67/1106551767.db2.gz PGTQTFBTIQEEBO-UHFFFAOYSA-N 2 0 311.429 3.124 20 30 DGEDRP C=C1C[C@@H]2CC(NC(=[NH2+])SCCSC(N)=[NH2+])C[C@H](C1)C2 ZINC001257887691 1106641030 /nfs/dbraw/zinc/64/10/30/1106641030.db2.gz FTXFZDJDHWUIJL-FOSCPWQOSA-N 2 0 312.508 3.006 20 30 DGEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001258728836 1106935025 /nfs/dbraw/zinc/93/50/25/1106935025.db2.gz QOJPYBXQKYKUFQ-QXAKKESOSA-N 2 0 306.494 3.021 20 30 DGEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001264122501 1108385528 /nfs/dbraw/zinc/38/55/28/1108385528.db2.gz OCHKYBUSZWVKCC-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001319473120 1108485318 /nfs/dbraw/zinc/48/53/18/1108485318.db2.gz BBCPWLUFMAGGMI-IBGZPJMESA-N 2 0 313.489 3.273 20 30 DGEDRP C=CCCOCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727844 210131329 /nfs/dbraw/zinc/13/13/29/210131329.db2.gz GNWANZLGKPYIHM-HKUYNNGSSA-N 2 0 302.462 3.079 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000066972990 432024941 /nfs/dbraw/zinc/02/49/41/432024941.db2.gz PARVGGIXXIJLRI-UHFFFAOYSA-N 2 0 323.440 3.179 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181616369 299289795 /nfs/dbraw/zinc/28/97/95/299289795.db2.gz OGDNMHPVDKOTTB-ZACQAIPSSA-N 2 0 315.461 3.098 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423544004 237857565 /nfs/dbraw/zinc/85/75/65/237857565.db2.gz NTIKVINFYCXQTR-RMJJICAUSA-N 2 0 309.457 3.303 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966379 209346359 /nfs/dbraw/zinc/34/63/59/209346359.db2.gz SRFGTTSWULDZFI-AWEZNQCLSA-N 2 0 303.425 3.470 20 30 DGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442786402 239122403 /nfs/dbraw/zinc/12/24/03/239122403.db2.gz XGJICVFROIMBEF-PPLKHSGQSA-N 2 0 311.473 3.425 20 30 DGEDRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449093137 240014928 /nfs/dbraw/zinc/01/49/28/240014928.db2.gz VZPFMDJGJGUIDM-UHFFFAOYSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CC(C)(C)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449485477 240238032 /nfs/dbraw/zinc/23/80/32/240238032.db2.gz NBQSGLRYJUPJNU-UHFFFAOYSA-N 2 0 301.478 3.130 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245903948 296121797 /nfs/dbraw/zinc/12/17/97/296121797.db2.gz OGDNMHPVDKOTTB-IXDOHACOSA-N 2 0 315.461 3.098 20 30 DGEDRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1C#N ZINC000282489371 217033409 /nfs/dbraw/zinc/03/34/09/217033409.db2.gz XKBREDAQMZYNLR-UHFFFAOYSA-N 2 0 315.461 3.121 20 30 DGEDRP COc1cc(C#N)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123179009 195552480 /nfs/dbraw/zinc/55/24/80/195552480.db2.gz RCMHQXRMORTOIC-UHFFFAOYSA-N 2 0 315.461 3.121 20 30 DGEDRP C=CCCSCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649720 400472139 /nfs/dbraw/zinc/47/21/39/400472139.db2.gz GFHWZRDZQYFXHJ-AEFFLSMTSA-N 2 0 318.486 3.141 20 30 DGEDRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593704051 400895824 /nfs/dbraw/zinc/89/58/24/400895824.db2.gz YJNYONBTTCEUPX-MRXNPFEDSA-N 2 0 320.440 3.268 20 30 DGEDRP N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(O)cc3)CC2)c1 ZINC000593701991 400896007 /nfs/dbraw/zinc/89/60/07/400896007.db2.gz JRBPIVVYDRAQKL-UHFFFAOYSA-N 2 0 321.424 3.018 20 30 DGEDRP C[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)CC1(C)C ZINC000598953555 400911297 /nfs/dbraw/zinc/91/12/97/400911297.db2.gz YHPDKCGSCJDNRQ-QGZVFWFLSA-N 2 0 317.502 3.254 20 30 DGEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269443411 432173896 /nfs/dbraw/zinc/17/38/96/432173896.db2.gz TWINKMJANJWSSL-UHFFFAOYSA-N 2 0 303.425 3.299 20 30 DGEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)o3)CC2)CC1 ZINC000131053326 196135751 /nfs/dbraw/zinc/13/57/51/196135751.db2.gz ZQJHWJFZKRXOOU-UHFFFAOYSA-N 2 0 301.434 3.284 20 30 DGEDRP CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423118399 277295502 /nfs/dbraw/zinc/29/55/02/277295502.db2.gz AHKRXDMRIIYHPT-VQIMIIECSA-N 2 0 313.445 3.162 20 30 DGEDRP CC1CC[NH+]([C@H](C[NH+]=C(N(C)C)N(C)C)c2cccs2)CC1 ZINC000263277455 278550628 /nfs/dbraw/zinc/55/06/28/278550628.db2.gz YYDGETYBOQXZEB-OAHLLOKOSA-N 2 0 322.522 3.000 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125340186 431921785 /nfs/dbraw/zinc/92/17/85/431921785.db2.gz NBQVUIXUPYFWBI-INIZCTEOSA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])N(C)C2CC2)CCCC1)c1ccccc1 ZINC000273359035 432589439 /nfs/dbraw/zinc/58/94/39/432589439.db2.gz SLRKXQLJVZTTAB-HNNXBMFYSA-N 2 0 314.477 3.059 20 30 DGEDRP C[NH+](C)CCC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177201768 432597077 /nfs/dbraw/zinc/59/70/77/432597077.db2.gz XNUIQTXWDZLEPV-UHFFFAOYSA-N 2 0 304.865 3.355 20 30 DGEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685830 432649492 /nfs/dbraw/zinc/64/94/92/432649492.db2.gz KSDKNCJAZMMENY-GJZGRUSLSA-N 2 0 305.491 3.467 20 30 DGEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159031196 432665623 /nfs/dbraw/zinc/66/56/23/432665623.db2.gz NUBLKGODVCDIQJ-PKOBYXMFSA-N 2 0 308.510 3.290 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCSCC#N ZINC000274845649 432715293 /nfs/dbraw/zinc/71/52/93/432715293.db2.gz POQAADIQWBAKOD-AEFFLSMTSA-N 2 0 317.502 3.133 20 30 DGEDRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C#N)cc1 ZINC000278863067 432909424 /nfs/dbraw/zinc/90/94/24/432909424.db2.gz WKWLIQXFYQQYGA-LJQANCHMSA-N 2 0 315.461 3.100 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290269263 433023517 /nfs/dbraw/zinc/02/35/17/433023517.db2.gz LHNKLVCYHBRASK-KRWDZBQOSA-N 2 0 305.466 3.247 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453354217 433115184 /nfs/dbraw/zinc/11/51/84/433115184.db2.gz NDZQTMXUNLZHCO-IPELMVKDSA-N 2 0 318.461 3.011 20 30 DGEDRP C[C@@H](CCC#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000299582352 433375574 /nfs/dbraw/zinc/37/55/74/433375574.db2.gz HTKITDZRDYILAB-INIZCTEOSA-N 2 0 300.450 3.312 20 30 DGEDRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000281804669 433388474 /nfs/dbraw/zinc/38/84/74/433388474.db2.gz VNSOWNFXQBYRCM-INIZCTEOSA-N 2 0 315.461 3.169 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422903597 434097519 /nfs/dbraw/zinc/09/75/19/434097519.db2.gz FTKHJVSBFYAEDA-KZNAEPCWSA-N 2 0 300.446 3.262 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422999704 434156934 /nfs/dbraw/zinc/15/69/34/434156934.db2.gz YHEGWMFBHAYXKP-DLBZAZTESA-N 2 0 303.475 3.041 20 30 DGEDRP C=CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000286119559 434171636 /nfs/dbraw/zinc/17/16/36/434171636.db2.gz NONMDYYDOUBSBE-RCCFBDPRSA-N 2 0 318.461 3.254 20 30 DGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130973 434236724 /nfs/dbraw/zinc/23/67/24/434236724.db2.gz HIAQHRGMZFLMRV-APWZRJJASA-N 2 0 300.446 3.434 20 30 DGEDRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000353629619 434289828 /nfs/dbraw/zinc/28/98/28/434289828.db2.gz ZHFVLFPVPMZFQU-KRWDZBQOSA-N 2 0 317.502 3.426 20 30 DGEDRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000353629620 434290512 /nfs/dbraw/zinc/29/05/12/434290512.db2.gz ZHFVLFPVPMZFQU-QGZVFWFLSA-N 2 0 317.502 3.426 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423483805 434446189 /nfs/dbraw/zinc/44/61/89/434446189.db2.gz ZRYGQWDIXAUSRE-OVZGMEQFSA-N 2 0 311.473 3.498 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000368952230 434584117 /nfs/dbraw/zinc/58/41/17/434584117.db2.gz UMWSQFKRCQDOEI-UHFFFAOYSA-N 2 0 300.446 3.312 20 30 DGEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000491816350 434866398 /nfs/dbraw/zinc/86/63/98/434866398.db2.gz WERZMQZTCJPCDK-LJQANCHMSA-N 2 0 309.388 3.154 20 30 DGEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000491816347 434866980 /nfs/dbraw/zinc/86/69/80/434866980.db2.gz WERZMQZTCJPCDK-IBGZPJMESA-N 2 0 309.388 3.154 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000651723745 435805281 /nfs/dbraw/zinc/80/52/81/435805281.db2.gz ZZZJXAIRXQMBEQ-OALUTQOASA-N 2 0 319.537 3.271 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000651733316 435808785 /nfs/dbraw/zinc/80/87/85/435808785.db2.gz DJMRVYPNEYRRRV-BVBHFADKSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647481030 436063454 /nfs/dbraw/zinc/06/34/54/436063454.db2.gz SGJHZBRUCOARPH-MJGOQNOKSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544079 436077192 /nfs/dbraw/zinc/07/71/92/436077192.db2.gz WKJMMTDRKAVNQE-RBUKOAKNSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658135505 436384519 /nfs/dbraw/zinc/38/45/19/436384519.db2.gz FDBUESLDMNQUDS-PMACEKPBSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137850 436384999 /nfs/dbraw/zinc/38/49/99/436384999.db2.gz LYPUFABGQSGHNV-PXNSSMCTSA-N 2 0 316.489 3.478 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137855 436385271 /nfs/dbraw/zinc/38/52/71/436385271.db2.gz LYPUFABGQSGHNV-YLJYHZDGSA-N 2 0 316.489 3.478 20 30 DGEDRP C=CCCC[C@H](C)[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000562990765 333020592 /nfs/dbraw/zinc/02/05/92/333020592.db2.gz FRAKIQBOMBQLKB-DLBZAZTESA-N 2 0 315.461 3.348 20 30 DGEDRP C=C(C)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000181044339 337179416 /nfs/dbraw/zinc/17/94/16/337179416.db2.gz FJPBMIBWBZKRKO-UHFFFAOYSA-N 2 0 301.478 3.225 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000130559574 341028302 /nfs/dbraw/zinc/02/83/02/341028302.db2.gz DDXVLTDZGJAQSE-UHFFFAOYSA-N 2 0 302.462 3.415 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928876 533918248 /nfs/dbraw/zinc/91/82/48/533918248.db2.gz JJSYOPKKYVXVBY-QFBILLFUSA-N 2 0 311.473 3.495 20 30 DGEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000174842070 533920932 /nfs/dbraw/zinc/92/09/32/533920932.db2.gz GSEJISSLTZUCQY-IRXDYDNUSA-N 2 0 321.509 3.138 20 30 DGEDRP C=CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435386260 526862757 /nfs/dbraw/zinc/86/27/57/526862757.db2.gz TWHZWBGSDRBWPG-KRWDZBQOSA-N 2 0 318.461 3.224 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000180406251 527114567 /nfs/dbraw/zinc/11/45/67/527114567.db2.gz JBBMSKSJFJHALT-MRXNPFEDSA-N 2 0 300.446 3.222 20 30 DGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680066 528146759 /nfs/dbraw/zinc/14/67/59/528146759.db2.gz NHXNRVMJMIXXJF-QFBILLFUSA-N 2 0 315.461 3.052 20 30 DGEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708939 528152554 /nfs/dbraw/zinc/15/25/54/528152554.db2.gz MKWWQYMMTCKAFG-QZTJIDSGSA-N 2 0 315.461 3.189 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000348217337 528665033 /nfs/dbraw/zinc/66/50/33/528665033.db2.gz PQVQIENJCZSXAF-DLBZAZTESA-N 2 0 309.498 3.043 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073826 545999741 /nfs/dbraw/zinc/99/97/41/545999741.db2.gz RKAOSSXTWYAIAN-IEBWSBKVSA-N 2 0 307.526 3.005 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000741465093 574549634 /nfs/dbraw/zinc/54/96/34/574549634.db2.gz SXVISEFNMOXEKG-AWZUXOBASA-N 2 0 303.450 3.140 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886359 574944906 /nfs/dbraw/zinc/94/49/06/574944906.db2.gz OCNXFHLLUVXCJM-SJLPKXTDSA-N 2 0 315.461 3.132 20 30 DGEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000925623731 618513037 /nfs/dbraw/zinc/51/30/37/618513037.db2.gz WNJLOKLOFLSQBW-IRXDYDNUSA-N 2 0 317.502 3.287 20 30 DGEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000925623729 618513224 /nfs/dbraw/zinc/51/32/24/618513224.db2.gz WNJLOKLOFLSQBW-IAGOWNOFSA-N 2 0 317.502 3.287 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924937573 618744501 /nfs/dbraw/zinc/74/45/01/618744501.db2.gz DOWLVXDIPLOFHD-MJGOQNOKSA-N 2 0 313.489 3.469 20 30 DGEDRP COc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1C#N ZINC000895683888 618818634 /nfs/dbraw/zinc/81/86/34/618818634.db2.gz XCPYBPGOMWUUCO-UHFFFAOYSA-N 2 0 315.461 3.265 20 30 DGEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887329 619825575 /nfs/dbraw/zinc/82/55/75/619825575.db2.gz YRPQMXYPJAMWNP-AYHJJNSGSA-N 2 0 300.446 3.214 20 30 DGEDRP C#CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000113314600 620900556 /nfs/dbraw/zinc/90/05/56/620900556.db2.gz SDFDSNFUDMJOAG-UHFFFAOYSA-N 2 0 300.446 3.097 20 30 DGEDRP C[NH+](C)Cc1cc(C[NH2+]Cc2csc(C#N)c2)ccc1F ZINC000921745651 620943526 /nfs/dbraw/zinc/94/35/26/620943526.db2.gz OTNIQJYIDPVSMD-UHFFFAOYSA-N 2 0 303.406 3.110 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765980 621991970 /nfs/dbraw/zinc/99/19/70/621991970.db2.gz VPBGNNWVDDQXBJ-DMKPSLHHSA-N 2 0 315.461 3.330 20 30 DGEDRP C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769352921 622520085 /nfs/dbraw/zinc/52/00/85/622520085.db2.gz QBCPRIWIJVXHBM-UHFFFAOYSA-N 2 0 322.452 3.392 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2ccccc2C#N)cc1 ZINC000769385121 622523157 /nfs/dbraw/zinc/52/31/57/622523157.db2.gz SSBHRFNXXYUFMP-UHFFFAOYSA-N 2 0 323.440 3.131 20 30 DGEDRP N#CCC[C@@H](C#N)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000871910707 622736565 /nfs/dbraw/zinc/73/65/65/622736565.db2.gz AIRBVTHCHKFEOF-FQEVSTJZSA-N 2 0 324.472 3.322 20 30 DGEDRP CC(=NNc1ccncc1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000779809348 623810926 /nfs/dbraw/zinc/81/09/26/623810926.db2.gz JBXJLRYSULYDEJ-UHFFFAOYSA-N 2 0 324.428 3.031 20 30 DGEDRP C[NH+]1CCC(C[NH2+]C2CCC(C#N)CC2)(c2ccccc2)CC1 ZINC000877718522 624004334 /nfs/dbraw/zinc/00/43/34/624004334.db2.gz LKUMYRGGDJFRKK-UHFFFAOYSA-N 2 0 311.473 3.322 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883210184 626609998 /nfs/dbraw/zinc/60/99/98/626609998.db2.gz PHRWLBKXXMJZIB-UYAOXDASSA-N 2 0 312.457 3.176 20 30 DGEDRP C=C(C)CN1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886524842 627156950 /nfs/dbraw/zinc/15/69/50/627156950.db2.gz SDMIHAHLTJWWHI-UHFFFAOYSA-N 2 0 319.537 3.414 20 30 DGEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134761 627228047 /nfs/dbraw/zinc/22/80/47/627228047.db2.gz PSYUIVAUUVFIFM-HZPDHXFCSA-N 2 0 306.413 3.225 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000104162732 627411167 /nfs/dbraw/zinc/41/11/67/627411167.db2.gz DRDHSUHWRSHWRA-INIZCTEOSA-N 2 0 316.493 3.218 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000924703873 627671009 /nfs/dbraw/zinc/67/10/09/627671009.db2.gz HGFCBMHVGZVSDI-OAHLLOKOSA-N 2 0 303.450 3.045 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924941152 627695651 /nfs/dbraw/zinc/69/56/51/627695651.db2.gz UFRWCJZIBLKMIO-INIZCTEOSA-N 2 0 317.477 3.435 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1Cl ZINC000925666986 627773947 /nfs/dbraw/zinc/77/39/47/627773947.db2.gz SOAUZIVVACANCK-WMZOPIPTSA-N 2 0 317.864 3.470 20 30 DGEDRP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926811041 627959689 /nfs/dbraw/zinc/95/96/89/627959689.db2.gz GJSRSJMTSRXZKS-BTYIYWSLSA-N 2 0 319.452 3.438 20 30 DGEDRP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926811043 627959782 /nfs/dbraw/zinc/95/97/82/627959782.db2.gz GJSRSJMTSRXZKS-VFNWGFHPSA-N 2 0 319.452 3.438 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817969706 627978383 /nfs/dbraw/zinc/97/83/83/627978383.db2.gz YFRYZLGFZIYKOZ-HNNXBMFYSA-N 2 0 306.409 3.153 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000105449729 630712383 /nfs/dbraw/zinc/71/23/83/630712383.db2.gz GCRRDRBJSVVEMG-UHFFFAOYSA-N 2 0 322.452 3.440 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793540381 661043793 /nfs/dbraw/zinc/04/37/93/661043793.db2.gz JLPGKDKICQROAW-ROUUACIJSA-N 2 0 307.526 3.270 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157399219 655823015 /nfs/dbraw/zinc/82/30/15/655823015.db2.gz HVVPQHBOGAHJSE-KRWDZBQOSA-N 2 0 316.493 3.398 20 30 DGEDRP C[NH+](C)CCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000125713411 656420333 /nfs/dbraw/zinc/42/03/33/656420333.db2.gz KPLCZYKAORLMNJ-UHFFFAOYSA-N 2 0 323.440 3.179 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000303712043 657557792 /nfs/dbraw/zinc/55/77/92/657557792.db2.gz PRKNFZDCIIDURU-RHSMWYFYSA-N 2 0 302.466 3.411 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303772925 657561096 /nfs/dbraw/zinc/56/10/96/657561096.db2.gz DWIPMWKWEYSYSE-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cc1 ZINC000303785698 657563713 /nfs/dbraw/zinc/56/37/13/657563713.db2.gz QPBVMNHSOMKQCN-INIZCTEOSA-N 2 0 316.493 3.075 20 30 DGEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])NC(C)(C)C)c2ccccc2)CC1 ZINC000303886487 657571710 /nfs/dbraw/zinc/57/17/10/657571710.db2.gz NVKZFFGPUBFXMG-QGZVFWFLSA-N 2 0 316.493 3.162 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000303901566 657576570 /nfs/dbraw/zinc/57/65/70/657576570.db2.gz SUBQUJMQJKDXNO-GJZGRUSLSA-N 2 0 316.493 3.398 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000303908858 657578393 /nfs/dbraw/zinc/57/83/93/657578393.db2.gz XVUJUQYTNBXTOH-BBRMVZONSA-N 2 0 302.466 3.150 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000930059963 659901756 /nfs/dbraw/zinc/90/17/56/659901756.db2.gz HNJROFSJWRLTGJ-KURKYZTESA-N 2 0 319.493 3.034 20 30 DGEDRP CCCCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000157701968 661868537 /nfs/dbraw/zinc/86/85/37/661868537.db2.gz LKWTTYSJBCUSOM-RTBURBONSA-N 2 0 309.542 3.447 20 30 DGEDRP C#CC[N@@H+](C)CCCN[C@H](C)c1sccc1Br ZINC000392928801 685216475 /nfs/dbraw/zinc/21/64/75/685216475.db2.gz JGSGWCOUSWGFNF-LLVKDONJSA-N 2 0 315.280 3.116 20 30 DGEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C3(C#N)CC3)cc1)CC[NH2+]CC2 ZINC001576639008 1191858158 /nfs/dbraw/zinc/85/81/58/1191858158.db2.gz VACSHQUAXCQXNQ-MRXNPFEDSA-N 2 0 309.457 3.206 20 30 DGEDRP Clc1ccc(C#CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001579938006 1192000065 /nfs/dbraw/zinc/00/00/65/1192000065.db2.gz KOTXYDGUPYUHLW-IAGOWNOFSA-N 2 0 302.849 3.013 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001580065486 1192005836 /nfs/dbraw/zinc/00/58/36/1192005836.db2.gz JSXKNQSKBFOIBP-UNEWFSDZSA-N 2 0 303.837 3.222 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001343525653 1179291379 /nfs/dbraw/zinc/29/13/79/1179291379.db2.gz KBJDZNUURFKAKM-KRWDZBQOSA-N 2 0 311.514 3.053 20 30 DGEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001344556124 1179450459 /nfs/dbraw/zinc/45/04/59/1179450459.db2.gz GPZDXEUPZJSICM-GOSISDBHSA-N 2 0 315.461 3.295 20 30 DGEDRP COc1cc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001474647418 1183954805 /nfs/dbraw/zinc/95/48/05/1183954805.db2.gz PFHRMDONBXPVNK-QAPCUYQASA-N 2 0 315.461 3.119 20 30 DGEDRP C=CCN(Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C1CC1 ZINC001652146753 1195553188 /nfs/dbraw/zinc/55/31/88/1195553188.db2.gz WQSHGFAEFDIXKL-UHFFFAOYSA-N 2 0 324.371 3.220 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001655281348 1195899413 /nfs/dbraw/zinc/89/94/13/1195899413.db2.gz ZPVDXEPXDOINPD-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP C[C@@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001660029961 1196439535 /nfs/dbraw/zinc/43/95/35/1196439535.db2.gz FKZZCDRMSWVUAB-SXLOBPIMSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001692132151 1200942127 /nfs/dbraw/zinc/94/21/27/1200942127.db2.gz QTKLBYPVZRPMBQ-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692333994 1201024180 /nfs/dbraw/zinc/02/41/80/1201024180.db2.gz QMNLGSIUFNTOQH-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C#CCCC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209265758 1081703868 /nfs/dbraw/zinc/70/38/68/1081703868.db2.gz HROLKOPMIGTPHO-SXLOBPIMSA-N 2 0 311.473 3.027 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109444155 1081839230 /nfs/dbraw/zinc/83/92/30/1081839230.db2.gz UQGYTOVTXYNCKB-XDNAFOTISA-N 2 0 323.525 3.019 20 30 DGEDRP C[NH+](C)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170375620 1082362094 /nfs/dbraw/zinc/36/20/94/1082362094.db2.gz ATXBZJYTUQLDLW-UHFFFAOYSA-N 2 0 311.473 3.417 20 30 DGEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270071 1082863766 /nfs/dbraw/zinc/86/37/66/1082863766.db2.gz QDLNLRCBVNGNCA-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365483 1082890567 /nfs/dbraw/zinc/89/05/67/1082890567.db2.gz KTYLBSFYFVTSNV-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369721 1083280634 /nfs/dbraw/zinc/28/06/34/1083280634.db2.gz RILFAPYANIRZEN-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750176 1083286315 /nfs/dbraw/zinc/28/63/15/1083286315.db2.gz HDGXMAGFRDPKNZ-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1cccc(F)c1 ZINC001168475848 1087997612 /nfs/dbraw/zinc/99/76/12/1087997612.db2.gz QICPCAITUHILEM-CQSZACIVSA-N 2 0 313.420 3.424 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153818808 1088372789 /nfs/dbraw/zinc/37/27/89/1088372789.db2.gz BDICMZAHDVMNMF-QZTJIDSGSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153818939 1088375053 /nfs/dbraw/zinc/37/50/53/1088375053.db2.gz GWAPQOOBAVVPEV-MSOLQXFVSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159910766 1088544181 /nfs/dbraw/zinc/54/41/81/1088544181.db2.gz UVIHHVUYIRYLCG-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C[NH+]1CCC(Oc2cc[nH+]c(NCC#CC(C)(C)C)c2)CC1 ZINC001160396492 1088781878 /nfs/dbraw/zinc/78/18/78/1088781878.db2.gz JODTZILWPCVIQP-UHFFFAOYSA-N 2 0 301.434 3.016 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161518950 1089271631 /nfs/dbraw/zinc/27/16/31/1089271631.db2.gz VHWWDTDIBLRETE-INIZCTEOSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166448400 1090607297 /nfs/dbraw/zinc/60/72/97/1090607297.db2.gz SNDVNEFFQVLLKN-KRWDZBQOSA-N 2 0 313.530 3.173 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC001204266985 1090936888 /nfs/dbraw/zinc/93/68/88/1090936888.db2.gz CFGXWKHOOBXYSI-UHFFFAOYSA-N 2 0 315.461 3.143 20 30 DGEDRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205109290 1091104773 /nfs/dbraw/zinc/10/47/73/1091104773.db2.gz DLCLGTREROPODZ-QGZVFWFLSA-N 2 0 310.466 3.461 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC001139651668 1091635455 /nfs/dbraw/zinc/63/54/55/1091635455.db2.gz SNQMFAJPAUOVPB-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP C=CCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001209161658 1092678200 /nfs/dbraw/zinc/67/82/00/1092678200.db2.gz OBDHVUQTUWLDMB-QGZVFWFLSA-N 2 0 318.461 3.301 20 30 DGEDRP C#CCCC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209263685 1092717935 /nfs/dbraw/zinc/71/79/35/1092717935.db2.gz PMJLMXZUDKNIMA-UHFFFAOYSA-N 2 0 302.487 3.449 20 30 DGEDRP C=CCCCCCC[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221778 1095498210 /nfs/dbraw/zinc/49/82/10/1095498210.db2.gz SISZXRGFBXKILP-KRWDZBQOSA-N 2 0 322.493 3.130 20 30 DGEDRP CC(C)C[NH+]1CCC(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194936 1095691125 /nfs/dbraw/zinc/69/11/25/1095691125.db2.gz NNDUEXUBADSJRX-KRWDZBQOSA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@@H](C[NH2+][C@H](C)Cc1cccc(C#N)c1)CC(C)(C)CC[NH3+] ZINC001171195827 1095693281 /nfs/dbraw/zinc/69/32/81/1095693281.db2.gz UXQPGKXBUKZKGY-HZPDHXFCSA-N 2 0 301.478 3.480 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001171194180 1095694527 /nfs/dbraw/zinc/69/45/27/1095694527.db2.gz GYSCNAQLKIZYTG-MRXNPFEDSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199136 1095724961 /nfs/dbraw/zinc/72/49/61/1095724961.db2.gz VKEWWZYYTUVJCL-CDHQVMDDSA-N 2 0 311.473 3.471 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001171229458 1095858505 /nfs/dbraw/zinc/85/85/05/1095858505.db2.gz NQFPQZUINIVFQJ-KRWDZBQOSA-N 2 0 311.473 3.297 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340216182 1095908886 /nfs/dbraw/zinc/90/88/86/1095908886.db2.gz QROTVARVXRJTPR-DLBZAZTESA-N 2 0 311.514 3.007 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398300 1096032412 /nfs/dbraw/zinc/03/24/12/1096032412.db2.gz NQJYPARELOIDDY-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150387 1096881297 /nfs/dbraw/zinc/88/12/97/1096881297.db2.gz PUVLJJRYABHSFF-GVDBMIGSSA-N 2 0 323.525 3.088 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001172290459 1097105987 /nfs/dbraw/zinc/10/59/87/1097105987.db2.gz PXMDWVZEAKOFSR-INIZCTEOSA-N 2 0 307.441 3.341 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](CC)CC(C)C)CC1 ZINC001172401896 1097145609 /nfs/dbraw/zinc/14/56/09/1097145609.db2.gz HIMRWBBECMRELK-IBGZPJMESA-N 2 0 307.526 3.103 20 30 DGEDRP C[C@H](CCCC#N)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493997 1097168885 /nfs/dbraw/zinc/16/88/85/1097168885.db2.gz XCNRRWNNFVLVJX-JFIYKMOQSA-N 2 0 300.450 3.236 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001172508028 1097174186 /nfs/dbraw/zinc/17/41/86/1097174186.db2.gz FBFIEOFDEDACTM-SJORKVTESA-N 2 0 313.530 3.349 20 30 DGEDRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@H]1F ZINC001206165850 1097187767 /nfs/dbraw/zinc/18/77/67/1097187767.db2.gz PIDVOYYRWMEBEP-NHCUHLMSSA-N 2 0 322.427 3.348 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229523092 1097339260 /nfs/dbraw/zinc/33/92/60/1097339260.db2.gz AKEBUXQPHYPOEJ-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001173316315 1097427646 /nfs/dbraw/zinc/42/76/46/1097427646.db2.gz GBOZEYHYBOEFKI-UHFFFAOYSA-N 2 0 308.510 3.458 20 30 DGEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001173316676 1097427882 /nfs/dbraw/zinc/42/78/82/1097427882.db2.gz LGNSYIKJPVPOIN-UHFFFAOYSA-N 2 0 306.494 3.354 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564495 1098099915 /nfs/dbraw/zinc/09/99/15/1098099915.db2.gz BNUXJFNYLYRCHM-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091931 1098793522 /nfs/dbraw/zinc/79/35/22/1098793522.db2.gz FLJLPPWMUNKIOP-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C=CCc1cccc(CN2CCCC[C@]23CCC[NH2+]C3)c1O ZINC001235169798 1098853371 /nfs/dbraw/zinc/85/33/71/1098853371.db2.gz YUCMICZLAIYPKX-LJQANCHMSA-N 2 0 300.446 3.229 20 30 DGEDRP N#Cc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228330 1098902031 /nfs/dbraw/zinc/90/20/31/1098902031.db2.gz LRYBVQGNTSWDBJ-SFHVURJKSA-N 2 0 301.409 3.051 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431100 1099025579 /nfs/dbraw/zinc/02/55/79/1099025579.db2.gz UPEFDAULUSVVBU-IAGOWNOFSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430706 1099026543 /nfs/dbraw/zinc/02/65/43/1099026543.db2.gz XHTWBVQJULUALZ-SJORKVTESA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1Cl ZINC001235706213 1099138292 /nfs/dbraw/zinc/13/82/92/1099138292.db2.gz QEFGWVMLZMEMGQ-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP C=CCCCCCCCCC[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236074306 1099371252 /nfs/dbraw/zinc/37/12/52/1099371252.db2.gz XHMPHBNJLAUHPQ-LJQANCHMSA-N 2 0 307.526 3.401 20 30 DGEDRP C=CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC001236432666 1099609300 /nfs/dbraw/zinc/60/93/00/1099609300.db2.gz DBMYVORDNXRFQZ-UHFFFAOYSA-N 2 0 313.489 3.417 20 30 DGEDRP N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351124 1100954020 /nfs/dbraw/zinc/95/40/20/1100954020.db2.gz LQMUAWJBGFNEOC-FQEVSTJZSA-N 2 0 303.409 3.337 20 30 DGEDRP Cc1cc(C#N)ccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242474426 1102155172 /nfs/dbraw/zinc/15/51/72/1102155172.db2.gz ODGAOPJOPBZAIL-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP Cc1ccc(C#N)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242542475 1102200387 /nfs/dbraw/zinc/20/03/87/1102200387.db2.gz JAABLGTVIQGSSS-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP N#Cc1ccccc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001242716732 1102303099 /nfs/dbraw/zinc/30/30/99/1102303099.db2.gz FBAWZJGQENYBNF-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP Cc1cc(C#N)cc(C)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665773 1102691938 /nfs/dbraw/zinc/69/19/38/1102691938.db2.gz HVGJPQYBAJRSMS-UHFFFAOYSA-N 2 0 321.428 3.066 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001245982063 1104344836 /nfs/dbraw/zinc/34/48/36/1104344836.db2.gz JOPXLCYKESKCGG-HUUCEWRRSA-N 2 0 324.431 3.230 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@H]1F ZINC001246001028 1104350340 /nfs/dbraw/zinc/35/03/40/1104350340.db2.gz KWCRIIPXJCZBDK-FGTMMUONSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246026878 1104354711 /nfs/dbraw/zinc/35/47/11/1104354711.db2.gz VPDUFNWMRGEKAS-MOPGFXCFSA-N 2 0 308.510 3.340 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246055949 1104359033 /nfs/dbraw/zinc/35/90/33/1104359033.db2.gz NAGKKTZRZPRPBB-RTBURBONSA-N 2 0 308.510 3.338 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089439 1104378531 /nfs/dbraw/zinc/37/85/31/1104378531.db2.gz FILLRPQKSLSNHG-JLAWEPINSA-N 2 0 315.436 3.261 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246126597 1104398870 /nfs/dbraw/zinc/39/88/70/1104398870.db2.gz ICERNHLTGYBRGW-QRVBRYPASA-N 2 0 309.542 3.399 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246395821 1104524316 /nfs/dbraw/zinc/52/43/16/1104524316.db2.gz AKQSFXQXQTYCMU-XUWXXGDYSA-N 2 0 301.409 3.148 20 30 DGEDRP CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275131431 1104645449 /nfs/dbraw/zinc/64/54/49/1104645449.db2.gz DOQQYVFDEJOWAE-OALUTQOASA-N 2 0 309.542 3.447 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677675 1104658243 /nfs/dbraw/zinc/65/82/43/1104658243.db2.gz KXRMPRVFIVNPQD-NSISKUIASA-N 2 0 311.473 3.201 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679558 1104660699 /nfs/dbraw/zinc/66/06/99/1104660699.db2.gz UYQCGRBRIYAQOL-UXPWSPDFSA-N 2 0 311.473 3.201 20 30 DGEDRP C[C@@H]1CC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246805903 1104683405 /nfs/dbraw/zinc/68/34/05/1104683405.db2.gz KXMBAKMEZCYVBS-HZPDHXFCSA-N 2 0 311.473 3.342 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC001275296160 1104712330 /nfs/dbraw/zinc/71/23/30/1104712330.db2.gz SNBSKHXMGCMZJK-UHFFFAOYSA-N 2 0 324.472 3.184 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1 ZINC001275828928 1104924889 /nfs/dbraw/zinc/92/48/89/1104924889.db2.gz MQFPMLKICFWINF-UHFFFAOYSA-N 2 0 309.457 3.399 20 30 DGEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001276128656 1105024820 /nfs/dbraw/zinc/02/48/20/1105024820.db2.gz MNFLVBCFGPWEIN-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252134841 1105747907 /nfs/dbraw/zinc/74/79/07/1105747907.db2.gz ZKIKXYJARNIHSF-FHWLQOOXSA-N 2 0 310.526 3.372 20 30 DGEDRP C[N@@H+]1CCC[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254525459 1106093631 /nfs/dbraw/zinc/09/36/31/1106093631.db2.gz JFMOIYGBUOYVGF-FQEVSTJZSA-N 2 0 311.473 3.297 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c2ccccc2[nH+]1 ZINC001254660029 1106126422 /nfs/dbraw/zinc/12/64/22/1106126422.db2.gz FQLUJGYEIICWDJ-IAGOWNOFSA-N 2 0 320.440 3.358 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001258722669 1106928021 /nfs/dbraw/zinc/92/80/21/1106928021.db2.gz SOGWMOCUNOVSIG-MISYRCLQSA-N 2 0 319.537 3.270 20 30 DGEDRP Cc1cccnc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181720271 199343973 /nfs/dbraw/zinc/34/39/73/199343973.db2.gz MFPQBEFQWPQDNX-UHFFFAOYSA-N 2 0 320.440 3.016 20 30 DGEDRP C=CCCOCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727846 210132939 /nfs/dbraw/zinc/13/29/39/210132939.db2.gz GNWANZLGKPYIHM-IEBWSBKVSA-N 2 0 302.462 3.079 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000339203480 283058690 /nfs/dbraw/zinc/05/86/90/283058690.db2.gz VCVUWNKUHSQPGE-WTGUMLROSA-N 2 0 309.457 3.133 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966381 209346769 /nfs/dbraw/zinc/34/67/69/209346769.db2.gz SRFGTTSWULDZFI-CQSZACIVSA-N 2 0 303.425 3.470 20 30 DGEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245903944 296122236 /nfs/dbraw/zinc/12/22/36/296122236.db2.gz OGDNMHPVDKOTTB-BRWVUGGUSA-N 2 0 315.461 3.098 20 30 DGEDRP N#CCC[C@H](C#N)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595550480 400184944 /nfs/dbraw/zinc/18/49/44/400184944.db2.gz BDZRZJHOFWAPKE-MRXNPFEDSA-N 2 0 321.428 3.261 20 30 DGEDRP CCCn1ccnc1CCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595454680 400154960 /nfs/dbraw/zinc/15/49/60/400154960.db2.gz NDUYJODSNXMYJB-UHFFFAOYSA-N 2 0 310.445 3.272 20 30 DGEDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132022 400565865 /nfs/dbraw/zinc/56/58/65/400565865.db2.gz FRLBBUXXLBIXIG-MJGOQNOKSA-N 2 0 309.457 3.158 20 30 DGEDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859721 228363805 /nfs/dbraw/zinc/36/38/05/228363805.db2.gz NAFOHMYYLHNHRZ-PVAVHDDUSA-N 2 0 301.434 3.112 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000123150523 431856630 /nfs/dbraw/zinc/85/66/30/431856630.db2.gz BYXOZBSVVNJNEX-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP CCC[N@H+](C)C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154265314 432486229 /nfs/dbraw/zinc/48/62/29/432486229.db2.gz GNDASBLJWWBHLV-QGZVFWFLSA-N 2 0 304.865 3.355 20 30 DGEDRP C[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689400 432524368 /nfs/dbraw/zinc/52/43/68/432524368.db2.gz UOWFBMCJXVGGNE-ZBFHGGJFSA-N 2 0 315.436 3.440 20 30 DGEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000186310109 432580870 /nfs/dbraw/zinc/58/08/70/432580870.db2.gz BTDNQTORSJTNEH-UYAOXDASSA-N 2 0 309.457 3.315 20 30 DGEDRP CC(C)[NH+](CCCNC(=[NH2+])Nc1cc(F)ccc1F)C(C)C ZINC000288629607 432895199 /nfs/dbraw/zinc/89/51/99/432895199.db2.gz ATSMTZQMEHNVTL-UHFFFAOYSA-N 2 0 312.408 3.200 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000278535422 432896622 /nfs/dbraw/zinc/89/66/22/432896622.db2.gz FOBABAQWKFEWED-ZWKOTPCHSA-N 2 0 312.461 3.312 20 30 DGEDRP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000279727165 432991532 /nfs/dbraw/zinc/99/15/32/432991532.db2.gz VKLJZISHASTGIS-KDURUIRLSA-N 2 0 311.473 3.380 20 30 DGEDRP N#CC1(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000375596357 433502600 /nfs/dbraw/zinc/50/26/00/433502600.db2.gz JWOGMDVNPFSXKA-SFHVURJKSA-N 2 0 319.493 3.037 20 30 DGEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000283969460 433808293 /nfs/dbraw/zinc/80/82/93/433808293.db2.gz FGOMNUVYTQYXFT-HOTGVXAUSA-N 2 0 324.424 3.103 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000285978762 434121557 /nfs/dbraw/zinc/12/15/57/434121557.db2.gz HMUJJYQFSBSNOK-QZTJIDSGSA-N 2 0 319.493 3.150 20 30 DGEDRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422998302 434157408 /nfs/dbraw/zinc/15/74/08/434157408.db2.gz WIZICBPNGKYGLJ-FAEJEUNOSA-N 2 0 315.461 3.355 20 30 DGEDRP C=CCOCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576879518 435058526 /nfs/dbraw/zinc/05/85/26/435058526.db2.gz NXBRHNVFPCOMRQ-QGZVFWFLSA-N 2 0 322.518 3.403 20 30 DGEDRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000475290466 435187316 /nfs/dbraw/zinc/18/73/16/435187316.db2.gz IQHNYVOUTNCETJ-HXUWFJFHSA-N 2 0 319.452 3.478 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1 ZINC000651709636 435798655 /nfs/dbraw/zinc/79/86/55/435798655.db2.gz CEXBUAUHZOBOEB-ZSYWTGECSA-N 2 0 308.510 3.458 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812715 435836581 /nfs/dbraw/zinc/83/65/81/435836581.db2.gz IXCWWJPDUFHYSK-WMZOPIPTSA-N 2 0 317.477 3.247 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537137 436238816 /nfs/dbraw/zinc/23/88/16/436238816.db2.gz AAYLYYHLKHPXLP-FUHWJXTLSA-N 2 0 306.494 3.212 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000657927959 436342427 /nfs/dbraw/zinc/34/24/27/436342427.db2.gz NICMQRKABMAXOG-MDNKFWRPSA-N 2 0 320.521 3.479 20 30 DGEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657837397 436322109 /nfs/dbraw/zinc/32/21/09/436322109.db2.gz ZMUFSNHGVQJDRB-RBUKOAKNSA-N 2 0 307.526 3.129 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137847 436385579 /nfs/dbraw/zinc/38/55/79/436385579.db2.gz LYPUFABGQSGHNV-FXAWDEMLSA-N 2 0 316.489 3.478 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000293564449 334199113 /nfs/dbraw/zinc/19/91/13/334199113.db2.gz MJSGHNQLUDQTGF-AABGKKOBSA-N 2 0 309.457 3.277 20 30 DGEDRP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567604299 341619713 /nfs/dbraw/zinc/61/97/13/341619713.db2.gz NJARCGWOQHXSIP-BMFAXAFESA-N 2 0 313.445 3.018 20 30 DGEDRP C=CCOCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824826 526756939 /nfs/dbraw/zinc/75/69/39/526756939.db2.gz NIZRMIAOUOIXMZ-HXUWFJFHSA-N 2 0 314.473 3.177 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346856269 526873870 /nfs/dbraw/zinc/87/38/70/526873870.db2.gz VVCWTJRFWWRLFW-YQQAZPJKSA-N 2 0 320.864 3.464 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347020977 526897371 /nfs/dbraw/zinc/89/73/71/526897371.db2.gz NLQXFKVCKPHCQT-IBGZPJMESA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424384231 526898855 /nfs/dbraw/zinc/89/88/55/526898855.db2.gz VACAVMMRAUNSOT-INIZCTEOSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCOc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353212316 526902674 /nfs/dbraw/zinc/90/26/74/526902674.db2.gz PUVFUMQITUBWEJ-UHFFFAOYSA-N 2 0 320.502 3.168 20 30 DGEDRP C=CC[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180138585 527032250 /nfs/dbraw/zinc/03/22/50/527032250.db2.gz DXYYUQIWTPDBGW-CQSZACIVSA-N 2 0 307.869 3.146 20 30 DGEDRP CC[NH+](CC)CCOC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000354034543 528140198 /nfs/dbraw/zinc/14/01/98/528140198.db2.gz RXZUYWDTPQRULS-UHFFFAOYSA-N 2 0 309.498 3.139 20 30 DGEDRP C#CCOc1ccc(CNCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000733322333 574615515 /nfs/dbraw/zinc/61/55/15/574615515.db2.gz HFQKVFBNNQOJTP-UHFFFAOYSA-N 2 0 314.473 3.443 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925774006 618615090 /nfs/dbraw/zinc/61/50/90/618615090.db2.gz QUTOUBPDVIJJOK-LSDHHAIUSA-N 2 0 303.475 3.276 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903481398 619780809 /nfs/dbraw/zinc/78/08/09/619780809.db2.gz AQYJJQYLJMZZGV-QGZVFWFLSA-N 2 0 303.837 3.177 20 30 DGEDRP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903790860 619811213 /nfs/dbraw/zinc/81/12/13/619811213.db2.gz DYHHFTXUDLNHOU-UHFFFAOYSA-N 2 0 305.853 3.409 20 30 DGEDRP N#Cc1ccccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792723 619811573 /nfs/dbraw/zinc/81/15/73/619811573.db2.gz HLZKBKWMXLXRLW-UHFFFAOYSA-N 2 0 305.425 3.051 20 30 DGEDRP CC(C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(C#N)c1 ZINC000903932999 619836702 /nfs/dbraw/zinc/83/67/02/619836702.db2.gz JKYWGQHAZVPFRI-UHFFFAOYSA-N 2 0 305.425 3.229 20 30 DGEDRP N#CC1CCC(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923506361 621189772 /nfs/dbraw/zinc/18/97/72/621189772.db2.gz JWQZZYHZHKKSFB-DAWZGUTISA-N 2 0 303.494 3.418 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259548 622077777 /nfs/dbraw/zinc/07/77/77/622077777.db2.gz CIURZOLSWIOAIW-LSDHHAIUSA-N 2 0 301.434 3.035 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765015894 622240074 /nfs/dbraw/zinc/24/00/74/622240074.db2.gz RMOCUWDFARVNPL-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP C=CCCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000883186437 625960547 /nfs/dbraw/zinc/96/05/47/625960547.db2.gz RSYOMFNJGPCCFY-UYAOXDASSA-N 2 0 315.505 3.310 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1Cc2ccccc2O1 ZINC000883234201 626618424 /nfs/dbraw/zinc/61/84/24/626618424.db2.gz YVAAAECDFTUUEE-MJKGWSOKSA-N 2 0 314.473 3.255 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883237960 626619813 /nfs/dbraw/zinc/61/98/13/626619813.db2.gz OMCXEYPBKMUFSH-CEXWTWQISA-N 2 0 306.494 3.212 20 30 DGEDRP C=C(C)C[C@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000883391996 626671384 /nfs/dbraw/zinc/67/13/84/626671384.db2.gz XXIJXXUSXGUDDG-IOJLRTSASA-N 2 0 316.489 3.346 20 30 DGEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000809781231 626952042 /nfs/dbraw/zinc/95/20/42/626952042.db2.gz KCWSOANXDBBQJC-IBGZPJMESA-N 2 0 314.473 3.299 20 30 DGEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000886647843 627180227 /nfs/dbraw/zinc/18/02/27/627180227.db2.gz DLXICUDHQLPGSB-KBWCOIMZSA-N 2 0 323.484 3.412 20 30 DGEDRP Cc1nc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)[nH]c1C ZINC000886671933 627185651 /nfs/dbraw/zinc/18/56/51/627185651.db2.gz GLOAXDATMXKBQS-UHFFFAOYSA-N 2 0 312.392 3.417 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000925800226 627797213 /nfs/dbraw/zinc/79/72/13/627797213.db2.gz XKNBHVRSLJBXIM-NXMBOHNASA-N 2 0 311.473 3.226 20 30 DGEDRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000925887323 627812597 /nfs/dbraw/zinc/81/25/97/627812597.db2.gz ZKJFNNZMEAZEHE-YSGRDPCXSA-N 2 0 305.425 3.268 20 30 DGEDRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000925887009 627812608 /nfs/dbraw/zinc/81/26/08/627812608.db2.gz PGZWULZFTPGWCC-YSGRDPCXSA-N 2 0 305.425 3.268 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000827566632 628971366 /nfs/dbraw/zinc/97/13/66/628971366.db2.gz XBXCTJSLSCOBIY-UXPWSPDFSA-N 2 0 318.505 3.048 20 30 DGEDRP C#CC[C@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805899 629195611 /nfs/dbraw/zinc/19/56/11/629195611.db2.gz XMJKZYUGGNCIAL-ZCNNSNEGSA-N 2 0 300.490 3.236 20 30 DGEDRP C=CCCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849019861 631807927 /nfs/dbraw/zinc/80/79/27/631807927.db2.gz XRFODUCNNAMNGR-UHFFFAOYSA-N 2 0 314.477 3.121 20 30 DGEDRP CC(C)C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849101698 631835658 /nfs/dbraw/zinc/83/56/58/631835658.db2.gz DQBZVZDLNKEDQO-FUHWJXTLSA-N 2 0 318.509 3.231 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000793545348 661044289 /nfs/dbraw/zinc/04/42/89/661044289.db2.gz BILHUNPKYKXZAJ-WDSOQIARSA-N 2 0 308.510 3.479 20 30 DGEDRP C#CCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236984512 657031917 /nfs/dbraw/zinc/03/19/17/657031917.db2.gz JCKNQCIVBMXPDL-GOSISDBHSA-N 2 0 302.462 3.155 20 30 DGEDRP CN(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000303720887 657557737 /nfs/dbraw/zinc/55/77/37/657557737.db2.gz WXXFEDUQAQDAEL-IBGZPJMESA-N 2 0 322.456 3.205 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303771052 657560458 /nfs/dbraw/zinc/56/04/58/657560458.db2.gz CHBUPIXCQIQOLC-INIZCTEOSA-N 2 0 316.493 3.265 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)c1 ZINC000303768537 657560669 /nfs/dbraw/zinc/56/06/69/657560669.db2.gz AJMNUMLLSUMQEF-UHFFFAOYSA-N 2 0 302.466 3.296 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303773761 657560784 /nfs/dbraw/zinc/56/07/84/657560784.db2.gz FLIGBXHGKVNZHQ-HNNXBMFYSA-N 2 0 302.466 3.240 20 30 DGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)CC(C)C ZINC000303786060 657563603 /nfs/dbraw/zinc/56/36/03/657563603.db2.gz RBAXVBWJYKWPBQ-MRXNPFEDSA-N 2 0 320.481 3.178 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)c1 ZINC000303793083 657565500 /nfs/dbraw/zinc/56/55/00/657565500.db2.gz YZBSOXXWWXUOOG-UHFFFAOYSA-N 2 0 302.466 3.242 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000303872671 657570493 /nfs/dbraw/zinc/57/04/93/657570493.db2.gz GMVQKMUOSKNVPQ-MRXNPFEDSA-N 2 0 302.466 3.152 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303886661 657571806 /nfs/dbraw/zinc/57/18/06/657571806.db2.gz KLWXKCYSGVXWNE-LSDHHAIUSA-N 2 0 302.466 3.239 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000303888536 657573127 /nfs/dbraw/zinc/57/31/27/657573127.db2.gz LMUSREKPQNRHKW-HOTGVXAUSA-N 2 0 302.466 3.293 20 30 DGEDRP C[C@@H]([NH2+]C1(C[NH+]=C(N(C)C)N(C)C)CCCC1)c1ccccc1 ZINC000304756129 657647705 /nfs/dbraw/zinc/64/77/05/657647705.db2.gz NKXMSRPBYZDDNE-MRXNPFEDSA-N 2 0 316.493 3.129 20 30 DGEDRP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304765831 657650522 /nfs/dbraw/zinc/65/05/22/657650522.db2.gz ZVMHDVJHSHKNEM-OAHLLOKOSA-N 2 0 304.482 3.066 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000304786141 657651473 /nfs/dbraw/zinc/65/14/73/657651473.db2.gz IFHRZUVRCWCQPL-UHFFFAOYSA-N 2 0 304.482 3.485 20 30 DGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCC(C)CC1 ZINC000303898097 657698959 /nfs/dbraw/zinc/69/89/59/657698959.db2.gz VJBCMKOPMHZSAC-HNNXBMFYSA-N 2 0 314.477 3.022 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000305841658 658075771 /nfs/dbraw/zinc/07/57/71/658075771.db2.gz ZNAJEGIWUJPLFH-INIZCTEOSA-N 2 0 302.466 3.295 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237370525 658376462 /nfs/dbraw/zinc/37/64/62/658376462.db2.gz SBZAQXBTWJLXRE-IRXDYDNUSA-N 2 0 315.461 3.189 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157399387 659056608 /nfs/dbraw/zinc/05/66/08/659056608.db2.gz HVVPQHBOGAHJSE-QGZVFWFLSA-N 2 0 316.493 3.398 20 30 DGEDRP COCC[N@H+](CCCCC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000931380467 661473090 /nfs/dbraw/zinc/47/30/90/661473090.db2.gz PPQYDTVETYFBJW-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001580065485 1192005943 /nfs/dbraw/zinc/00/59/43/1192005943.db2.gz JSXKNQSKBFOIBP-LXZKKBNFSA-N 2 0 303.837 3.222 20 30 DGEDRP [NH3+]C[C@@H]1CCCC12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC001580260964 1192017059 /nfs/dbraw/zinc/01/70/59/1192017059.db2.gz UZYSKQMRZHSKDL-KRWDZBQOSA-N 2 0 300.421 3.018 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629532 1177354743 /nfs/dbraw/zinc/35/47/43/1177354743.db2.gz QASFZUCMXAGEFE-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001343505919 1179287653 /nfs/dbraw/zinc/28/76/53/1179287653.db2.gz OXJLQLLMSTYBQP-QGZVFWFLSA-N 2 0 303.450 3.306 20 30 DGEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001344556127 1179450288 /nfs/dbraw/zinc/45/02/88/1179450288.db2.gz GPZDXEUPZJSICM-SFHVURJKSA-N 2 0 315.461 3.295 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](CC#Cc1cccc(Cl)c1)CC2 ZINC001473704142 1183791332 /nfs/dbraw/zinc/79/13/32/1183791332.db2.gz IREHGMMERCGGKB-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP N#Cc1ccnc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001653148304 1195692118 /nfs/dbraw/zinc/69/21/18/1195692118.db2.gz MARMNALHKVVVJX-UHFFFAOYSA-N 2 0 312.461 3.041 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001655317348 1195902989 /nfs/dbraw/zinc/90/29/89/1195902989.db2.gz LEIWHNXUVPQFAO-WMZOPIPTSA-N 2 0 302.462 3.461 20 30 DGEDRP C=CC(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001656261806 1196024561 /nfs/dbraw/zinc/02/45/61/1196024561.db2.gz KZRAFIWDAZLRGI-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001657908683 1196192163 /nfs/dbraw/zinc/19/21/63/1196192163.db2.gz MPPGHKIHVZIDQA-SFHVURJKSA-N 2 0 324.509 3.184 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001660468521 1196486619 /nfs/dbraw/zinc/48/66/19/1196486619.db2.gz ZVRWBWNNNSXZDC-GTAWCEEGSA-N 2 0 311.473 3.426 20 30 DGEDRP Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC001663459458 1196872946 /nfs/dbraw/zinc/87/29/46/1196872946.db2.gz XMQAEYIFBFQYKY-UHFFFAOYSA-N 2 0 306.413 3.020 20 30 DGEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(C)cc2)c1 ZINC000104178409 1199516528 /nfs/dbraw/zinc/51/65/28/1199516528.db2.gz LNNPQFKJEXWPAX-UHFFFAOYSA-N 2 0 310.445 3.374 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109934254 1081935229 /nfs/dbraw/zinc/93/52/29/1081935229.db2.gz WTPRDXYBMGAITD-SQNIBIBYSA-N 2 0 323.525 3.020 20 30 DGEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132364410 1082890362 /nfs/dbraw/zinc/89/03/62/1082890362.db2.gz CKSBDGPVZLGAKZ-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490659 1082925301 /nfs/dbraw/zinc/92/53/01/1082925301.db2.gz WUXYDUCPQUEHFJ-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770484 1083328311 /nfs/dbraw/zinc/32/83/11/1083328311.db2.gz YPPQRJKPPZKEDH-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP CC(C)[Si](C#CNC(N)=[NH+]CCCC[NH3+])(C(C)C)C(C)C ZINC001167878482 1084355904 /nfs/dbraw/zinc/35/59/04/1084355904.db2.gz LVLUMHLTBTWSRQ-UHFFFAOYSA-N 2 0 310.562 3.018 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156200498 1089432738 /nfs/dbraw/zinc/43/27/38/1089432738.db2.gz OWBHHGAINALSTB-QGZVFWFLSA-N 2 0 313.530 3.125 20 30 DGEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164490784 1090432275 /nfs/dbraw/zinc/43/22/75/1090432275.db2.gz ABKQUXSEPJTBFZ-GBESFXJTSA-N 2 0 312.533 3.325 20 30 DGEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1 ZINC001203901398 1090833088 /nfs/dbraw/zinc/83/30/88/1090833088.db2.gz MMWMQALMTLKKTL-KDURUIRLSA-N 2 0 321.424 3.105 20 30 DGEDRP CCCC[NH+]1CCC(N(C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001205502260 1091237683 /nfs/dbraw/zinc/23/76/83/1091237683.db2.gz NQUGERGZQXVROL-UHFFFAOYSA-N 2 0 303.425 3.394 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1O ZINC001138631470 1091264306 /nfs/dbraw/zinc/26/43/06/1091264306.db2.gz SZXXJBBVIZTYOM-UHFFFAOYSA-N 2 0 323.440 3.146 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527882 1091586212 /nfs/dbraw/zinc/58/62/12/1091586212.db2.gz SJLILSUDIJRWRX-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2)c1 ZINC001206622882 1091693719 /nfs/dbraw/zinc/69/37/19/1091693719.db2.gz IHNATMHOKGBINN-SFHVURJKSA-N 2 0 320.440 3.181 20 30 DGEDRP c1ccc([S+](CCO[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001217822957 1094500161 /nfs/dbraw/zinc/50/01/61/1094500161.db2.gz TUJAWLZKSWSZTI-INIZCTEOSA-N 2 0 300.447 3.101 20 30 DGEDRP C[C@@H]1[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217908190 1094514807 /nfs/dbraw/zinc/51/48/07/1094514807.db2.gz OYAGOICJMHCGMT-YJBOKZPZSA-N 2 0 300.447 3.100 20 30 DGEDRP C=CC[C@H]1[NH2+]CCC[C@H]1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001217926444 1094517910 /nfs/dbraw/zinc/51/79/10/1094517910.db2.gz GVDHCGGQCPZNRX-CEXWTWQISA-N 2 0 302.462 3.393 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336889236 1094775024 /nfs/dbraw/zinc/77/50/24/1094775024.db2.gz QAVBVHYAPPYGNL-GBESFXJTSA-N 2 0 311.473 3.337 20 30 DGEDRP C(#Cc1ccc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc1)c1ccccc1 ZINC001222203590 1095491256 /nfs/dbraw/zinc/49/12/56/1095491256.db2.gz JBCKEWWLWHMBQC-UHFFFAOYSA-N 2 0 316.448 3.272 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC001222620733 1095698074 /nfs/dbraw/zinc/69/80/74/1095698074.db2.gz YONFSGPSJHKSRH-RBBKRZOGSA-N 2 0 316.448 3.270 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC001117815768 1095879734 /nfs/dbraw/zinc/87/97/34/1095879734.db2.gz WTWUFJUSILMGEU-UHFFFAOYSA-N 2 0 302.381 3.048 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157733 1096823793 /nfs/dbraw/zinc/82/37/93/1096823793.db2.gz YNONZYBMDYDQPJ-SQNIBIBYSA-N 2 0 323.525 3.019 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001172297484 1097108982 /nfs/dbraw/zinc/10/89/82/1097108982.db2.gz FHSMIPRSXCKOGX-MRXNPFEDSA-N 2 0 320.440 3.143 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001172299639 1097109789 /nfs/dbraw/zinc/10/97/89/1097109789.db2.gz NGAREMVWMHJQFI-INIZCTEOSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001172349501 1097121411 /nfs/dbraw/zinc/12/14/11/1097121411.db2.gz DJECESUTIHKZBA-BSDSXHPESA-N 2 0 314.514 3.440 20 30 DGEDRP C[C@H](CCCC#N)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172495782 1097170301 /nfs/dbraw/zinc/17/03/01/1097170301.db2.gz UZKFSKJIOMLNAJ-CVEARBPZSA-N 2 0 307.482 3.080 20 30 DGEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001229641951 1097357792 /nfs/dbraw/zinc/35/77/92/1097357792.db2.gz UDEJMHVYGJFVCS-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCOC1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173319048 1097429631 /nfs/dbraw/zinc/42/96/31/1097429631.db2.gz WCKUPNPFVFTACV-POSCCBCBSA-N 2 0 306.494 3.482 20 30 DGEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001173590726 1097465666 /nfs/dbraw/zinc/46/56/66/1097465666.db2.gz AISQXGGVUMUCGL-UHFFFAOYSA-N 2 0 311.473 3.495 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176759586 1098433841 /nfs/dbraw/zinc/43/38/41/1098433841.db2.gz KSXRGNZQJSPBPK-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1O ZINC001235153200 1098839954 /nfs/dbraw/zinc/83/99/54/1098839954.db2.gz IPJVAPZISZYFSS-LJQANCHMSA-N 2 0 314.473 3.475 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c[nH]c2c1 ZINC001235155523 1098843082 /nfs/dbraw/zinc/84/30/82/1098843082.db2.gz DIVUXWHJBVPLPE-HXUWFJFHSA-N 2 0 322.456 3.394 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235370715 1098984721 /nfs/dbraw/zinc/98/47/21/1098984721.db2.gz WJQNGXZMHRALHM-FIIXJZFESA-N 2 0 306.494 3.356 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235423673 1099017892 /nfs/dbraw/zinc/01/78/92/1099017892.db2.gz GGRPHTSFIFAZDE-MSOLQXFVSA-N 2 0 314.473 3.332 20 30 DGEDRP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426752 1099019093 /nfs/dbraw/zinc/01/90/93/1099019093.db2.gz LDAWFQXWTDCDOJ-CVEARBPZSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428684 1099021582 /nfs/dbraw/zinc/02/15/82/1099021582.db2.gz OSQHZPJNCGFFGG-JKSUJKDBSA-N 2 0 317.864 3.423 20 30 DGEDRP CCc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC001235431195 1099027441 /nfs/dbraw/zinc/02/74/41/1099027441.db2.gz MPYYHACNBVWIGD-VQTJNVASSA-N 2 0 311.473 3.332 20 30 DGEDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235674399 1099117661 /nfs/dbraw/zinc/11/76/61/1099117661.db2.gz SMNSYBZOHKBEBS-OAQYLSRUSA-N 2 0 304.437 3.257 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235963253 1099294644 /nfs/dbraw/zinc/29/46/44/1099294644.db2.gz VTPWKUBMFVUEEI-UHFFFAOYSA-N 2 0 321.468 3.284 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008983 1099331175 /nfs/dbraw/zinc/33/11/75/1099331175.db2.gz JZWOYPOCZPNBJT-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180373080 1099400643 /nfs/dbraw/zinc/40/06/43/1099400643.db2.gz RLDAQAPMFLSSFA-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236374421 1099561121 /nfs/dbraw/zinc/56/11/21/1099561121.db2.gz RCTBFIPQNIAYKM-MRXNPFEDSA-N 2 0 315.436 3.442 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554367 1099677241 /nfs/dbraw/zinc/67/72/41/1099677241.db2.gz ZTFPNAOTDIOUNY-WGSAOQKQSA-N 2 0 312.457 3.181 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]12 ZINC001236832926 1099817684 /nfs/dbraw/zinc/81/76/84/1099817684.db2.gz XNMDTDANLDVLNN-NSISKUIASA-N 2 0 322.477 3.317 20 30 DGEDRP N#Cc1cc(-c2ccc(C3=[NH+]CCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240345233 1100950796 /nfs/dbraw/zinc/95/07/96/1100950796.db2.gz DIBNWLBCUIINKJ-UHFFFAOYSA-N 2 0 301.393 3.495 20 30 DGEDRP C[NH+](C)Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1F ZINC001240361247 1100959307 /nfs/dbraw/zinc/95/93/07/1100959307.db2.gz MUWDZGFHDNRORD-UHFFFAOYSA-N 2 0 309.388 3.113 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001198821806 1101996771 /nfs/dbraw/zinc/99/67/71/1101996771.db2.gz XGDGQVTUAGHMHG-OYRHEFFESA-N 2 0 323.484 3.483 20 30 DGEDRP COc1cccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1C#N ZINC001242301641 1102040426 /nfs/dbraw/zinc/04/04/26/1102040426.db2.gz SZMWZGJRWOBFTJ-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP Cc1ccc(C#N)cc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242542513 1102199623 /nfs/dbraw/zinc/19/96/23/1102199623.db2.gz KJLYRFGOYRASTB-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C=CC(C)(C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001203986901 1102970078 /nfs/dbraw/zinc/97/00/78/1102970078.db2.gz ODAMTDZFLBAPES-UHFFFAOYSA-N 2 0 312.360 3.124 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245978993 1104345078 /nfs/dbraw/zinc/34/50/78/1104345078.db2.gz RAOSLFDKDMTPRO-ZSYWTGECSA-N 2 0 308.510 3.099 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001245987359 1104346498 /nfs/dbraw/zinc/34/64/98/1104346498.db2.gz RFMHIMXNCHINGH-YDZRNGNQSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246044035 1104356445 /nfs/dbraw/zinc/35/64/45/1104356445.db2.gz FEACEAGXWUZYSD-OTWHNJEPSA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246039515 1104356852 /nfs/dbraw/zinc/35/68/52/1104356852.db2.gz NEHHQIXEYYRGSI-KSZLIROESA-N 2 0 314.489 3.121 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246070328 1104365662 /nfs/dbraw/zinc/36/56/62/1104365662.db2.gz NISHICUHEQDOFA-IBGZPJMESA-N 2 0 308.510 3.480 20 30 DGEDRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246116796 1104394081 /nfs/dbraw/zinc/39/40/81/1104394081.db2.gz WZOJOQBZSSTDDB-UGKFFRBESA-N 2 0 311.473 3.420 20 30 DGEDRP CCCCCCCCC[C@H](C)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246127781 1104398942 /nfs/dbraw/zinc/39/89/42/1104398942.db2.gz BWVHCWKQWYAWLL-INIZCTEOSA-N 2 0 321.513 3.390 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246326102 1104490358 /nfs/dbraw/zinc/49/03/58/1104490358.db2.gz NGOYEKHPPQCLIH-MRXNPFEDSA-N 2 0 312.498 3.400 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246326276 1104491221 /nfs/dbraw/zinc/49/12/21/1104491221.db2.gz FIVWIPXBHZRKHJ-DLBZAZTESA-N 2 0 312.498 3.256 20 30 DGEDRP CCCC[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328384 1104493443 /nfs/dbraw/zinc/49/34/43/1104493443.db2.gz LRFSRECNGULVMR-QZTJIDSGSA-N 2 0 315.461 3.228 20 30 DGEDRP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3nccn3CC)C2)CC1 ZINC001274964572 1104557963 /nfs/dbraw/zinc/55/79/63/1104557963.db2.gz OPWJTMAATPRGDX-UHFFFAOYSA-N 2 0 316.493 3.157 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679557 1104658216 /nfs/dbraw/zinc/65/82/16/1104658216.db2.gz UYQCGRBRIYAQOL-NSISKUIASA-N 2 0 311.473 3.201 20 30 DGEDRP CC1(C)C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246805560 1104683790 /nfs/dbraw/zinc/68/37/90/1104683790.db2.gz KHECJMNGHGVDSH-IBGZPJMESA-N 2 0 311.473 3.343 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246808284 1104684143 /nfs/dbraw/zinc/68/41/43/1104684143.db2.gz VYSLVEGLVRPWJF-WKCHPHFGSA-N 2 0 323.484 3.486 20 30 DGEDRP C[C@H]1CC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246805902 1104684259 /nfs/dbraw/zinc/68/42/59/1104684259.db2.gz KXMBAKMEZCYVBS-HOTGVXAUSA-N 2 0 311.473 3.342 20 30 DGEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001252577980 1105796903 /nfs/dbraw/zinc/79/69/03/1105796903.db2.gz AGVDJUIYTAMLRI-GOSISDBHSA-N 2 0 322.880 3.079 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643867 1106120916 /nfs/dbraw/zinc/12/09/16/1106120916.db2.gz NZQJAJBVEHNYOK-LJDSDSDDSA-N 2 0 309.457 3.464 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001254647159 1106121653 /nfs/dbraw/zinc/12/16/53/1106121653.db2.gz DZRYABCZOZHIRO-NVXWUHKLSA-N 2 0 317.864 3.368 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@H]2CC[C@@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254657181 1106124700 /nfs/dbraw/zinc/12/47/00/1106124700.db2.gz OEOXMLKSKWWXGD-AFYVEPGGSA-N 2 0 322.456 3.322 20 30 DGEDRP CC[C@@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162645 1106195260 /nfs/dbraw/zinc/19/52/60/1106195260.db2.gz VFDWFSVUNDEFIQ-BZSNNMDCSA-N 2 0 315.461 3.459 20 30 DGEDRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257018385 1106524824 /nfs/dbraw/zinc/52/48/24/1106524824.db2.gz RGPIXRYCVCNXTA-YZDRJCRTSA-N 2 0 323.484 3.468 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001264047371 1108352239 /nfs/dbraw/zinc/35/22/39/1108352239.db2.gz ATPLYPFSOASJGC-KSZLIROESA-N 2 0 323.525 3.020 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319762887 1108627337 /nfs/dbraw/zinc/62/73/37/1108627337.db2.gz JTMYZEJGMBFYAF-IRXDYDNUSA-N 2 0 301.478 3.129 20 30 DGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266988443 529792362 /nfs/dbraw/zinc/79/23/62/529792362.db2.gz SFHRFUYREMBILS-HNNXBMFYSA-N 2 0 324.428 3.157 20 30 DGEDRP Cn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1C#N ZINC000191616534 200731446 /nfs/dbraw/zinc/73/14/46/200731446.db2.gz CLUFWGOJMBQMDQ-UHFFFAOYSA-N 2 0 302.466 3.031 20 30 DGEDRP Cc1cc(C[NH2+]CCCN2CCc3ccccc3C2)ccc1C#N ZINC000443976511 239244226 /nfs/dbraw/zinc/24/42/26/239244226.db2.gz ASOOAEHNNHPKQE-UHFFFAOYSA-N 2 0 319.452 3.405 20 30 DGEDRP C=C(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449480044 240233286 /nfs/dbraw/zinc/23/32/86/240233286.db2.gz XDQBSZMANRBWDT-UHFFFAOYSA-N 2 0 301.478 3.273 20 30 DGEDRP Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(C#N)c1 ZINC000600776107 400149078 /nfs/dbraw/zinc/14/90/78/400149078.db2.gz LFUQBELSKXLMJR-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1C#N ZINC000600795476 400157996 /nfs/dbraw/zinc/15/79/96/400157996.db2.gz XVKDTPQAMIDESA-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965933 400333369 /nfs/dbraw/zinc/33/33/69/400333369.db2.gz UADMMIZAOUGEKO-RLLQIKCJSA-N 2 0 324.472 3.320 20 30 DGEDRP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965932 400333681 /nfs/dbraw/zinc/33/36/81/400333681.db2.gz UADMMIZAOUGEKO-MISYRCLQSA-N 2 0 324.472 3.320 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000591573450 400541972 /nfs/dbraw/zinc/54/19/72/400541972.db2.gz YWAYKTBACJJCAS-BHYGNILZSA-N 2 0 303.837 3.222 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000603121132 400644729 /nfs/dbraw/zinc/64/47/29/400644729.db2.gz RFZJQSYJRMQZNP-UHFFFAOYSA-N 2 0 303.425 3.395 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593321237 400818052 /nfs/dbraw/zinc/81/80/52/400818052.db2.gz GYGKYBGIQOQNHW-IBGZPJMESA-N 2 0 309.388 3.323 20 30 DGEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192917789 165310283 /nfs/dbraw/zinc/31/02/83/165310283.db2.gz LHSAZLIJZPQONS-FQEVSTJZSA-N 2 0 305.425 3.170 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000246860719 432173941 /nfs/dbraw/zinc/17/39/41/432173941.db2.gz DADHDBWOBZBIHJ-NCXUSEDFSA-N 2 0 307.526 3.003 20 30 DGEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190760866 432186643 /nfs/dbraw/zinc/18/66/43/432186643.db2.gz HBOKWOROTVWPQL-UHFFFAOYSA-N 2 0 310.445 3.027 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247064362 432198377 /nfs/dbraw/zinc/19/83/77/432198377.db2.gz VOLZRZNIVBDEOF-ROUUACIJSA-N 2 0 315.486 3.008 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000247029762 432194429 /nfs/dbraw/zinc/19/44/29/432194429.db2.gz MDTVLADZAXHYBN-IPMKNSEASA-N 2 0 307.526 3.005 20 30 DGEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000174842083 228293998 /nfs/dbraw/zinc/29/39/98/228293998.db2.gz GSEJISSLTZUCQY-IAGOWNOFSA-N 2 0 321.509 3.138 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185813399 228398535 /nfs/dbraw/zinc/39/85/35/228398535.db2.gz CSCKMAYEAYLHDJ-QZTJIDSGSA-N 2 0 315.461 3.189 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273744 266155528 /nfs/dbraw/zinc/15/55/28/266155528.db2.gz PCQDLUIAUZBMQP-AEFFLSMTSA-N 2 0 315.461 3.132 20 30 DGEDRP N#Cc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968080 271104261 /nfs/dbraw/zinc/10/42/61/271104261.db2.gz WNVBYMOTVFKMBI-ROUUACIJSA-N 2 0 321.424 3.105 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248412916 432286535 /nfs/dbraw/zinc/28/65/35/432286535.db2.gz KHLYYCYRZUPELZ-XUVXKRRUSA-N 2 0 314.473 3.079 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000264136746 432618759 /nfs/dbraw/zinc/61/87/59/432618759.db2.gz ZXGVDYZGHTUMII-INIZCTEOSA-N 2 0 302.466 3.150 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278104180 432884729 /nfs/dbraw/zinc/88/47/29/432884729.db2.gz AJWCECCFIDVQGN-UHFFFAOYSA-N 2 0 312.457 3.053 20 30 DGEDRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000298359946 433106969 /nfs/dbraw/zinc/10/69/69/433106969.db2.gz KDFNBLLNZSGOCA-HNNXBMFYSA-N 2 0 306.413 3.273 20 30 DGEDRP C=CC[N@H+](Cc1cccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420322906 433168049 /nfs/dbraw/zinc/16/80/49/433168049.db2.gz SSDIQFJVRCVMRH-INIZCTEOSA-N 2 0 316.470 3.487 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000374073485 433172340 /nfs/dbraw/zinc/17/23/40/433172340.db2.gz AKHRAGXOAUUWKC-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449549165 433751653 /nfs/dbraw/zinc/75/16/53/433751653.db2.gz VHOGFSZMSCRWKH-KANFNMMFSA-N 2 0 306.494 3.353 20 30 DGEDRP C=CCc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435395713 433871692 /nfs/dbraw/zinc/87/16/92/433871692.db2.gz UXKVPCRZEYUHPD-KRWDZBQOSA-N 2 0 318.461 3.093 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340763477 434346751 /nfs/dbraw/zinc/34/67/51/434346751.db2.gz LETPXWYDNPWGRH-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423483804 434445939 /nfs/dbraw/zinc/44/59/39/434445939.db2.gz ZRYGQWDIXAUSRE-HSFDUWRESA-N 2 0 311.473 3.498 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423544003 434485425 /nfs/dbraw/zinc/48/54/25/434485425.db2.gz NTIKVINFYCXQTR-MLYOOKFZSA-N 2 0 309.457 3.303 20 30 DGEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459734036 434683608 /nfs/dbraw/zinc/68/36/08/434683608.db2.gz RGDRFIVQOGSMLB-IPMKNSEASA-N 2 0 311.473 3.426 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000651758563 435818756 /nfs/dbraw/zinc/81/87/56/435818756.db2.gz DZGSKHFUOKPLJR-AHRSYUTCSA-N 2 0 314.473 3.088 20 30 DGEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC#Cc1ccc(Cl)cc1)C2 ZINC000660659113 435844322 /nfs/dbraw/zinc/84/43/22/435844322.db2.gz NHLUCJAZGRTKRB-GOSISDBHSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783904 436043047 /nfs/dbraw/zinc/04/30/47/436043047.db2.gz BFXMEFNLDOJXBN-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647481009 436064272 /nfs/dbraw/zinc/06/42/72/436064272.db2.gz OSAJZUJVRCRWDW-PKOBYXMFSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000647881217 436141216 /nfs/dbraw/zinc/14/12/16/436141216.db2.gz VGXKTXJJDRJCQY-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537139 436238966 /nfs/dbraw/zinc/23/89/66/436238966.db2.gz AAYLYYHLKHPXLP-SJLPKXTDSA-N 2 0 306.494 3.212 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000657927957 436342437 /nfs/dbraw/zinc/34/24/37/436342437.db2.gz NICMQRKABMAXOG-GSEOLPGOSA-N 2 0 320.521 3.479 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657837395 436321936 /nfs/dbraw/zinc/32/19/36/436321936.db2.gz ZMUFSNHGVQJDRB-MOPGFXCFSA-N 2 0 307.526 3.129 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347317 436443087 /nfs/dbraw/zinc/44/30/87/436443087.db2.gz KEWIIHSNKLWMFL-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347736 436444998 /nfs/dbraw/zinc/44/49/98/436444998.db2.gz UGPOKMSIHJGFCA-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449549018 534577111 /nfs/dbraw/zinc/57/71/11/534577111.db2.gz SZKYDUSVUWBWDC-MDNKFWRPSA-N 2 0 314.473 3.220 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449230728 534695702 /nfs/dbraw/zinc/69/57/02/534695702.db2.gz BGMXZINDQLJTLH-YLJYHZDGSA-N 2 0 316.489 3.478 20 30 DGEDRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000183207476 527963824 /nfs/dbraw/zinc/96/38/24/527963824.db2.gz XRJMVISIDRFLFD-INIZCTEOSA-N 2 0 315.461 3.360 20 30 DGEDRP C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000090180665 545822317 /nfs/dbraw/zinc/82/23/17/545822317.db2.gz VPJHYLVRCPXOQE-CQSZACIVSA-N 2 0 324.390 3.377 20 30 DGEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030193 547034935 /nfs/dbraw/zinc/03/49/35/547034935.db2.gz QVBTZQSBCNWKIX-HKUYNNGSSA-N 2 0 309.457 3.158 20 30 DGEDRP C(#CC[N@@H+]1CC[C@@H](c2ccco2)C1)C[NH+]1CC[C@@H](c2ccco2)C1 ZINC000671241562 547780541 /nfs/dbraw/zinc/78/05/41/547780541.db2.gz ZVQFJBHFKBARJE-QZTJIDSGSA-N 2 0 324.424 3.155 20 30 DGEDRP C#CCSCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000747100109 575496504 /nfs/dbraw/zinc/49/65/04/575496504.db2.gz RJEDYNCYPYXQKN-UHFFFAOYSA-N 2 0 304.503 3.101 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924970964 618753604 /nfs/dbraw/zinc/75/36/04/618753604.db2.gz VODUHHCWYAHIKM-INIZCTEOSA-N 2 0 317.477 3.087 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902394890 619630652 /nfs/dbraw/zinc/63/06/52/619630652.db2.gz XJCCVBNXVOYAIO-QEORTHHSSA-N 2 0 307.388 3.417 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259543 622078029 /nfs/dbraw/zinc/07/80/29/622078029.db2.gz CIURZOLSWIOAIW-GJZGRUSLSA-N 2 0 301.434 3.035 20 30 DGEDRP CC1CC[NH+](CCCC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000876935508 623748698 /nfs/dbraw/zinc/74/86/98/623748698.db2.gz TWFLOIFNCKMZAQ-UHFFFAOYSA-N 2 0 320.868 3.208 20 30 DGEDRP C#CCCCCCC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000877625296 623967387 /nfs/dbraw/zinc/96/73/87/623967387.db2.gz IIRQDKGMUQGFMX-UHFFFAOYSA-N 2 0 313.489 3.467 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000877698611 623995372 /nfs/dbraw/zinc/99/53/72/623995372.db2.gz ZCJYKQOLFRKYLC-QGZVFWFLSA-N 2 0 321.509 3.185 20 30 DGEDRP C[C@H](CCC#N)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818139 624048528 /nfs/dbraw/zinc/04/85/28/624048528.db2.gz XJDUELFNRMMRJP-RLLQIKCJSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CC[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000879018964 624409279 /nfs/dbraw/zinc/40/92/79/624409279.db2.gz LPUPIZFAGSXZLW-APWZRJJASA-N 2 0 317.477 3.340 20 30 DGEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259037 624874630 /nfs/dbraw/zinc/87/46/30/624874630.db2.gz GZXGHMINXSIMSR-HOTGVXAUSA-N 2 0 306.413 3.225 20 30 DGEDRP C=CCCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000883187684 625960973 /nfs/dbraw/zinc/96/09/73/625960973.db2.gz TZXQYONROMXNAW-AZUAARDMSA-N 2 0 315.505 3.310 20 30 DGEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809656351 626933979 /nfs/dbraw/zinc/93/39/79/626933979.db2.gz CCMLPFYRJRPMKC-OAQYLSRUSA-N 2 0 304.437 3.280 20 30 DGEDRP N#C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886646842 627179648 /nfs/dbraw/zinc/17/96/48/627179648.db2.gz VCVUWNKUHSQPGE-HAGHYFMRSA-N 2 0 309.457 3.133 20 30 DGEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133171 627227698 /nfs/dbraw/zinc/22/76/98/627227698.db2.gz VQTRQAMGTSAGSI-HOTGVXAUSA-N 2 0 306.413 3.225 20 30 DGEDRP CN(c1ccccc1C=[NH+]OCCC1CC1)C1CC[NH+](C)CC1 ZINC000814245574 627554086 /nfs/dbraw/zinc/55/40/86/627554086.db2.gz YFNMFMZWGLIIOP-UHFFFAOYSA-N 2 0 315.461 3.368 20 30 DGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CC2 ZINC000925880820 627811271 /nfs/dbraw/zinc/81/12/71/627811271.db2.gz CFGHXJBDUVAKNR-NRSPTQNISA-N 2 0 317.436 3.194 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000817967790 627977713 /nfs/dbraw/zinc/97/77/13/627977713.db2.gz BWBGEXKJRQSMNK-AWEZNQCLSA-N 2 0 307.397 3.043 20 30 DGEDRP C#CC[C@H]1CCC[N@@H+](C[C@H](C)C[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829803984 629195637 /nfs/dbraw/zinc/19/56/37/629195637.db2.gz DFPOJZZLQQHTGH-OWZKRDHZSA-N 2 0 300.490 3.093 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000844923316 630986238 /nfs/dbraw/zinc/98/62/38/630986238.db2.gz HTMWEFCAXDGBRN-AWEZNQCLSA-N 2 0 312.388 3.147 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000237670937 655795725 /nfs/dbraw/zinc/79/57/25/655795725.db2.gz WVTWZYIAFJYNCP-GOSISDBHSA-N 2 0 314.473 3.443 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000161608562 655807551 /nfs/dbraw/zinc/80/75/51/655807551.db2.gz DXKLHDDQGOAPQD-INIZCTEOSA-N 2 0 300.446 3.224 20 30 DGEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000066243810 655939330 /nfs/dbraw/zinc/93/93/30/655939330.db2.gz JUIDOAJLBBAYDN-GOSISDBHSA-N 2 0 322.456 3.325 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C)cc1 ZINC000303770228 657560890 /nfs/dbraw/zinc/56/08/90/657560890.db2.gz BREPFVPIAMBWNW-KRWDZBQOSA-N 2 0 304.482 3.342 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303789960 657564131 /nfs/dbraw/zinc/56/41/31/657564131.db2.gz VYXDBJAUIDRXNF-OAHLLOKOSA-N 2 0 320.506 3.002 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000303880988 657571602 /nfs/dbraw/zinc/57/16/02/657571602.db2.gz HHEBPFOXRRKHFI-GJZGRUSLSA-N 2 0 314.477 3.411 20 30 DGEDRP CC[N@@H+]1CC[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000303882736 657571707 /nfs/dbraw/zinc/57/17/07/657571707.db2.gz IJMXYWBVZVGURH-QGZVFWFLSA-N 2 0 314.477 3.282 20 30 DGEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304655006 657641393 /nfs/dbraw/zinc/64/13/93/657641393.db2.gz HYMPPBXUQSUCQY-UHFFFAOYSA-N 2 0 302.466 3.024 20 30 DGEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304750268 657647784 /nfs/dbraw/zinc/64/77/84/657647784.db2.gz IFDYICSQURCSNX-INIZCTEOSA-N 2 0 314.477 3.166 20 30 DGEDRP CCCCCCNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000304801474 657653221 /nfs/dbraw/zinc/65/32/21/657653221.db2.gz ZMLPULWSPHWKSG-UHFFFAOYSA-N 2 0 310.530 3.229 20 30 DGEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000305742828 657733175 /nfs/dbraw/zinc/73/31/75/657733175.db2.gz IPZFNUIXAJHUAG-IRXDYDNUSA-N 2 0 322.541 3.372 20 30 DGEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000305744856 657733871 /nfs/dbraw/zinc/73/38/71/657733871.db2.gz MQQXMSFZRYNCJQ-UHFFFAOYSA-N 2 0 322.541 3.372 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)cc1C ZINC000305796210 658048321 /nfs/dbraw/zinc/04/83/21/658048321.db2.gz ANLLPSOCMCQITA-INIZCTEOSA-N 2 0 302.466 3.295 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000057964693 659040368 /nfs/dbraw/zinc/04/03/68/659040368.db2.gz HWGNUSPXZOMPQF-KRWDZBQOSA-N 2 0 318.461 3.082 20 30 DGEDRP C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175010970 659914902 /nfs/dbraw/zinc/91/49/02/659914902.db2.gz YSVVVPXODQADDD-ROUUACIJSA-N 2 0 300.446 3.051 20 30 DGEDRP CCCC[N@H+](CCO[C@H](C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032946 661447031 /nfs/dbraw/zinc/44/70/31/661447031.db2.gz CQKLRINPFHKJNY-OAHLLOKOSA-N 2 0 309.498 3.326 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001577425948 1191900902 /nfs/dbraw/zinc/90/09/02/1191900902.db2.gz BWGDPPBNRWBGHY-MRXNPFEDSA-N 2 0 311.514 3.007 20 30 DGEDRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001579194426 1191968796 /nfs/dbraw/zinc/96/87/96/1191968796.db2.gz MZYCIGVTQZSMOW-KXBFYZLASA-N 2 0 323.440 3.302 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC001580040237 1192004564 /nfs/dbraw/zinc/00/45/64/1192004564.db2.gz HYMAWNGYNTVDTC-IAFLDTSXSA-N 2 0 309.457 3.250 20 30 DGEDRP N#CCc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC001580055458 1192005298 /nfs/dbraw/zinc/00/52/98/1192005298.db2.gz OSRLSEMGHYRDOJ-UHFFFAOYSA-N 2 0 319.452 3.245 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001331441072 1178214469 /nfs/dbraw/zinc/21/44/69/1178214469.db2.gz VWACEBYRWKRJHC-SJORKVTESA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001341634613 1179041621 /nfs/dbraw/zinc/04/16/21/1179041621.db2.gz QSFBGKXKDVDNIW-QZTJIDSGSA-N 2 0 323.525 3.055 20 30 DGEDRP C#CCN(CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC1 ZINC001460117318 1182653302 /nfs/dbraw/zinc/65/33/02/1182653302.db2.gz DRLUMSFAQXMAIG-UHFFFAOYSA-N 2 0 310.485 3.429 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001461069341 1182764275 /nfs/dbraw/zinc/76/42/75/1182764275.db2.gz VCOLIXTWXWTGGR-WMZOPIPTSA-N 2 0 302.462 3.461 20 30 DGEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920274 1186164085 /nfs/dbraw/zinc/16/40/85/1186164085.db2.gz JHNVYGZYZDSCDE-SJORKVTESA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527931 1187028524 /nfs/dbraw/zinc/02/85/24/1187028524.db2.gz YKFIPXMGUXALEF-QGZVFWFLSA-N 2 0 323.525 3.057 20 30 DGEDRP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CCCCC1 ZINC001574927087 1191458447 /nfs/dbraw/zinc/45/84/47/1191458447.db2.gz DRMGPRVHLAOBRD-SFHVURJKSA-N 2 0 306.494 3.213 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)cc1OC ZINC001574947745 1191459743 /nfs/dbraw/zinc/45/97/43/1191459743.db2.gz NFZOZKYXBAFTOG-MRXNPFEDSA-N 2 0 318.461 3.129 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC001647037037 1195242408 /nfs/dbraw/zinc/24/24/08/1195242408.db2.gz LXCXTRBUBUXARA-DLBZAZTESA-N 2 0 318.461 3.222 20 30 DGEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001656909117 1196082158 /nfs/dbraw/zinc/08/21/58/1196082158.db2.gz MGLVWRLVZMBOEY-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001660468522 1196486744 /nfs/dbraw/zinc/48/67/44/1196486744.db2.gz ZVRWBWNNNSXZDC-LMCOJAPRSA-N 2 0 311.473 3.426 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC)C1 ZINC000303886799 1199601379 /nfs/dbraw/zinc/60/13/79/1199601379.db2.gz NZTSAYXDGGFBBL-OAHLLOKOSA-N 2 0 316.493 3.270 20 30 DGEDRP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001690440474 1200557637 /nfs/dbraw/zinc/55/76/37/1200557637.db2.gz GIEMPXUMVRJBTI-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001755307003 1200788347 /nfs/dbraw/zinc/78/83/47/1200788347.db2.gz WYGTZWKNLLRKBG-INIZCTEOSA-N 2 0 323.525 3.042 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1CCCNC1CC(C#N)(c2ccccc2)C1 ZINC000237504932 1202675692 /nfs/dbraw/zinc/67/56/92/1202675692.db2.gz PIUJMHRBNINKFA-KKXNLOMOSA-N 2 0 311.473 3.464 20 30 DGEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170359460 1082352040 /nfs/dbraw/zinc/35/20/40/1082352040.db2.gz YYWJDLJEOCUXSC-HDYDNRTBSA-N 2 0 311.473 3.464 20 30 DGEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132364412 1082890449 /nfs/dbraw/zinc/89/04/49/1082890449.db2.gz CKSBDGPVZLGAKZ-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770483 1083328296 /nfs/dbraw/zinc/32/82/96/1083328296.db2.gz YPPQRJKPPZKEDH-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919262 1084784853 /nfs/dbraw/zinc/78/48/53/1084784853.db2.gz WQTVBBGFLQPXMK-JSYLVRCQSA-N 2 0 309.457 3.429 20 30 DGEDRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001168304360 1087287291 /nfs/dbraw/zinc/28/72/91/1087287291.db2.gz YEJPNRONLSOAFF-UHFFFAOYSA-N 2 0 310.445 3.059 20 30 DGEDRP CC(C)(C[NH3+])c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001159579451 1088400900 /nfs/dbraw/zinc/40/09/00/1088400900.db2.gz CCINWIKDDGCQTG-UHFFFAOYSA-N 2 0 320.440 3.225 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612256 1089186194 /nfs/dbraw/zinc/18/61/94/1089186194.db2.gz RMILWQZBRQCNIK-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900559 1089294104 /nfs/dbraw/zinc/29/41/04/1089294104.db2.gz YXTMBSOBTSONAT-QGZVFWFLSA-N 2 0 313.530 3.125 20 30 DGEDRP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156306395 1089472998 /nfs/dbraw/zinc/47/29/98/1089472998.db2.gz QPSOTYVOFOQGTO-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255083 1089893323 /nfs/dbraw/zinc/89/33/23/1089893323.db2.gz ASTMVCBYQMLFHN-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]c1nc(C)nc2ccoc21 ZINC001163466998 1090193087 /nfs/dbraw/zinc/19/30/87/1090193087.db2.gz XFECIZIBXSIXSH-UHFFFAOYSA-N 2 0 309.373 3.020 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617874 1091284454 /nfs/dbraw/zinc/28/44/54/1091284454.db2.gz OTGUKNBXSQNRLU-DLBZAZTESA-N 2 0 302.462 3.448 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617876 1091284849 /nfs/dbraw/zinc/28/48/49/1091284849.db2.gz OTGUKNBXSQNRLU-IRXDYDNUSA-N 2 0 302.462 3.448 20 30 DGEDRP C=CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C(C)(C)C ZINC001139259797 1091504272 /nfs/dbraw/zinc/50/42/72/1091504272.db2.gz BQRFHMKYPMKRQT-UHFFFAOYSA-N 2 0 306.450 3.249 20 30 DGEDRP Cn1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c2cc(C#N)ccc21 ZINC001206325305 1091581870 /nfs/dbraw/zinc/58/18/70/1091581870.db2.gz HNJZZQUZQJCHLG-LJQANCHMSA-N 2 0 310.445 3.001 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC001139726234 1091655927 /nfs/dbraw/zinc/65/59/27/1091655927.db2.gz BBZSEPRYXKHDTE-UHFFFAOYSA-N 2 0 311.473 3.421 20 30 DGEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454689 1092359687 /nfs/dbraw/zinc/35/96/87/1092359687.db2.gz ZKSCEBOGWJBPDP-KRWDZBQOSA-N 2 0 323.525 3.044 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001169141630 1092556890 /nfs/dbraw/zinc/55/68/90/1092556890.db2.gz RAVKZUWROBHCLN-PMOLBWCYSA-N 2 0 309.457 3.363 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001169155597 1092569364 /nfs/dbraw/zinc/56/93/64/1092569364.db2.gz RZHNQGYREVAFQE-PMOLBWCYSA-N 2 0 309.457 3.363 20 30 DGEDRP C#CCCC[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209263924 1092718728 /nfs/dbraw/zinc/71/87/28/1092718728.db2.gz RGYIRCXLDRXXRN-GOSISDBHSA-N 2 0 300.446 3.369 20 30 DGEDRP CC(C)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#N)c1 ZINC001210268534 1093102977 /nfs/dbraw/zinc/10/29/77/1093102977.db2.gz DTJVLZWFDPUFFD-UHFFFAOYSA-N 2 0 321.428 3.230 20 30 DGEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210788573 1093283748 /nfs/dbraw/zinc/28/37/48/1093283748.db2.gz FSDJPJSRVVFVDT-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076678 1094390892 /nfs/dbraw/zinc/39/08/92/1094390892.db2.gz FHAMWHYPPFJXJS-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP F[C@H]1C[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217782670 1094494155 /nfs/dbraw/zinc/49/41/55/1094494155.db2.gz QZMDSIHOTVSCEZ-ROUUACIJSA-N 2 0 318.437 3.049 20 30 DGEDRP C[C@@H](OCC[S+](c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC001217830065 1094501707 /nfs/dbraw/zinc/50/17/07/1094501707.db2.gz CMDWQJQNSCZKKK-MRXNPFEDSA-N 2 0 314.474 3.347 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001336887890 1094772547 /nfs/dbraw/zinc/77/25/47/1094772547.db2.gz FSPLANOHEYNWEU-OTWHNJEPSA-N 2 0 314.473 3.414 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980349 1094773720 /nfs/dbraw/zinc/77/37/20/1094773720.db2.gz ODDRWTBIYHJGFN-DLBZAZTESA-N 2 0 313.530 3.172 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336889234 1094774011 /nfs/dbraw/zinc/77/40/11/1094774011.db2.gz QAVBVHYAPPYGNL-FHWLQOOXSA-N 2 0 311.473 3.337 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171203133 1095751571 /nfs/dbraw/zinc/75/15/71/1095751571.db2.gz JIEBKTDTLYGKIC-HNNXBMFYSA-N 2 0 320.440 3.156 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340107503 1095865100 /nfs/dbraw/zinc/86/51/00/1095865100.db2.gz YRPQZGLNMXHJLR-IKGGRYGDSA-N 2 0 311.514 3.005 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237694 1095890455 /nfs/dbraw/zinc/89/04/55/1095890455.db2.gz RWFQESHXFMXMSE-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001341148418 1096123434 /nfs/dbraw/zinc/12/34/34/1096123434.db2.gz LJSAYOGSQZGKLU-IRXDYDNUSA-N 2 0 323.525 3.055 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330853 1096362615 /nfs/dbraw/zinc/36/26/15/1096362615.db2.gz VVHQAXCJMGZYPV-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330692 1096362869 /nfs/dbraw/zinc/36/28/69/1096362869.db2.gz ULWFOLPFSGTMPT-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312932 1097098320 /nfs/dbraw/zinc/09/83/20/1097098320.db2.gz MHHUYSZSQDAUQA-KRWDZBQOSA-N 2 0 320.440 3.015 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001173322662 1097416767 /nfs/dbraw/zinc/41/67/67/1097416767.db2.gz HWJATEKDPFJSLH-UHFFFAOYSA-N 2 0 306.494 3.308 20 30 DGEDRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CCC(C)(C#N)CC1 ZINC001173596919 1097466763 /nfs/dbraw/zinc/46/67/63/1097466763.db2.gz HSOAULMXSHOMCW-UHFFFAOYSA-N 2 0 312.461 3.421 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175571673 1098100525 /nfs/dbraw/zinc/10/05/25/1098100525.db2.gz DPTLYAWXSYBHOP-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(C#N)c1 ZINC001232966279 1098185187 /nfs/dbraw/zinc/18/51/87/1098185187.db2.gz JPBDHVWSFDOGCV-UHFFFAOYSA-N 2 0 311.473 3.421 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176758768 1098434196 /nfs/dbraw/zinc/43/41/96/1098434196.db2.gz DJJRWIZLKCNZCQ-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c[nH]c2c1 ZINC001235155519 1098841719 /nfs/dbraw/zinc/84/17/19/1098841719.db2.gz DIVUXWHJBVPLPE-FQEVSTJZSA-N 2 0 322.456 3.394 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235226872 1098898896 /nfs/dbraw/zinc/89/88/96/1098898896.db2.gz BJUFUPWEJMIIAI-FQEVSTJZSA-N 2 0 312.457 3.053 20 30 DGEDRP CCc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1C#N ZINC001235238526 1098910993 /nfs/dbraw/zinc/91/09/93/1098910993.db2.gz PGNFJCNPDOJNCJ-HXUWFJFHSA-N 2 0 311.473 3.475 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431101 1099026140 /nfs/dbraw/zinc/02/61/40/1099026140.db2.gz UPEFDAULUSVVBU-IRXDYDNUSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430747 1099027093 /nfs/dbraw/zinc/02/70/93/1099027093.db2.gz XTYASOUMMJKWPY-CVEARBPZSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CCCCCN1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001277948059 1099059156 /nfs/dbraw/zinc/05/91/56/1099059156.db2.gz DZFOKHAIFDDGJO-UHFFFAOYSA-N 2 0 303.372 3.030 20 30 DGEDRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277949088 1099063567 /nfs/dbraw/zinc/06/35/67/1099063567.db2.gz RHWNKIVIYUKSNV-UHFFFAOYSA-N 2 0 318.490 3.043 20 30 DGEDRP CCCCCCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464154 1099106727 /nfs/dbraw/zinc/10/67/27/1099106727.db2.gz OCIKWDIYQWZIAR-UHFFFAOYSA-N 2 0 313.530 3.175 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235663933 1099112624 /nfs/dbraw/zinc/11/26/24/1099112624.db2.gz YNRXSGROTGVXDS-UHFFFAOYSA-N 2 0 317.521 3.494 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534517 1099120855 /nfs/dbraw/zinc/12/08/55/1099120855.db2.gz NQCALVONSMOPFC-SQNIBIBYSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235701002 1099134514 /nfs/dbraw/zinc/13/45/14/1099134514.db2.gz BRJAXWVIZOYVJD-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)ccc1Cl ZINC001235701955 1099136590 /nfs/dbraw/zinc/13/65/90/1099136590.db2.gz FLARDAWXSYBREK-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(CN2CCCC3(C[NH2+]C3)C2)s1 ZINC001235711658 1099140000 /nfs/dbraw/zinc/14/00/00/1099140000.db2.gz SRGZASVZWIQHLM-UHFFFAOYSA-N 2 0 322.477 3.333 20 30 DGEDRP [NH3+]C1CC2(C1)C[NH+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235819156 1099194266 /nfs/dbraw/zinc/19/42/66/1099194266.db2.gz AXCPLUARPIBQME-UHFFFAOYSA-N 2 0 302.421 3.010 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236129773 1099417577 /nfs/dbraw/zinc/41/75/77/1099417577.db2.gz RNTNWMJAYOJOKB-CMDGGOBGSA-N 2 0 307.526 3.273 20 30 DGEDRP COc1cc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1C#N ZINC001236459242 1099622228 /nfs/dbraw/zinc/62/22/28/1099622228.db2.gz JKFNGUKOQGAJSK-UHFFFAOYSA-N 2 0 315.461 3.167 20 30 DGEDRP CC(C)(C)C[N@H+](Cc1ccc(C#N)cc1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779144 1099779953 /nfs/dbraw/zinc/77/99/53/1099779953.db2.gz FPKWMZWBZHUBSI-QAQDUYKDSA-N 2 0 315.461 3.382 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@H]12 ZINC001236832925 1099817073 /nfs/dbraw/zinc/81/70/73/1099817073.db2.gz XNMDTDANLDVLNN-LSTHTHJFSA-N 2 0 322.477 3.317 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)CC1 ZINC001237752995 1100238812 /nfs/dbraw/zinc/23/88/12/1100238812.db2.gz HJZLCTPZYBTTIR-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP Cc1cc(C#N)cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001242479797 1102158863 /nfs/dbraw/zinc/15/88/63/1102158863.db2.gz JRMZDDOZSFWOPF-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C[C@H]1CC(=O)C=C(c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)C1 ZINC001242744089 1102321339 /nfs/dbraw/zinc/32/13/39/1102321339.db2.gz HUOOCNFBLPADAB-OAHLLOKOSA-N 2 0 312.457 3.240 20 30 DGEDRP CCCCCCCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001201840323 1102745581 /nfs/dbraw/zinc/74/55/81/1102745581.db2.gz TUYGHRBZCZHMDW-UHFFFAOYSA-N 2 0 323.525 3.009 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](C1CC1)C1C[NH2+]C1 ZINC001246018458 1104354034 /nfs/dbraw/zinc/35/40/34/1104354034.db2.gz FUKJWIHMPYPPKI-MOPGFXCFSA-N 2 0 310.526 3.466 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]CCc1ccc(C[NH3+])cc1 ZINC001246019955 1104354387 /nfs/dbraw/zinc/35/43/87/1104354387.db2.gz QFRLFENSZANRMW-IBGZPJMESA-N 2 0 304.478 3.165 20 30 DGEDRP CCCCCCCC[N@H+](C)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246044766 1104357680 /nfs/dbraw/zinc/35/76/80/1104357680.db2.gz QLXWBEKRIJJFEN-RBUKOAKNSA-N 2 0 306.494 3.210 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246054887 1104360632 /nfs/dbraw/zinc/36/06/32/1104360632.db2.gz LCTUBSIPSXUHTE-IBGZPJMESA-N 2 0 320.452 3.015 20 30 DGEDRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001246094923 1104382249 /nfs/dbraw/zinc/38/22/49/1104382249.db2.gz AQTROHOMSOJGOL-WSCVDHEUSA-N 2 0 311.473 3.226 20 30 DGEDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104089 1104388810 /nfs/dbraw/zinc/38/88/10/1104388810.db2.gz JETJEPCXTFBBDH-OTBHMBEGSA-N 2 0 311.473 3.368 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246126598 1104397693 /nfs/dbraw/zinc/39/76/93/1104397693.db2.gz ICERNHLTGYBRGW-QYZOEREBSA-N 2 0 309.542 3.399 20 30 DGEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246270035 1104466952 /nfs/dbraw/zinc/46/69/52/1104466952.db2.gz ZYUGWZJLQWNQPZ-NHCUHLMSSA-N 2 0 304.437 3.121 20 30 DGEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246270036 1104467983 /nfs/dbraw/zinc/46/79/83/1104467983.db2.gz ZYUGWZJLQWNQPZ-RTWAWAEBSA-N 2 0 304.437 3.121 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246326587 1104490604 /nfs/dbraw/zinc/49/06/04/1104490604.db2.gz FIVWIPXBHZRKHJ-SJORKVTESA-N 2 0 312.498 3.256 20 30 DGEDRP CCCCCCCC[C@H](CCC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246403596 1104529939 /nfs/dbraw/zinc/52/99/39/1104529939.db2.gz GNESVZRBKVFKBP-IRXDYDNUSA-N 2 0 313.530 3.478 20 30 DGEDRP N#Cc1ccc(C2CCC([NH+]3CCC(F)(C[NH3+])CC3)CC2)cc1 ZINC001246623179 1104633090 /nfs/dbraw/zinc/63/30/90/1104633090.db2.gz BGQYGHBRWJXRFS-UHFFFAOYSA-N 2 0 315.436 3.347 20 30 DGEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)C[NH2+]CCC4(F)F)C[C@H](C1)C2 ZINC001246639152 1104639958 /nfs/dbraw/zinc/63/99/58/1104639958.db2.gz OJZNGPYNGIRNRY-WFVVYAPDSA-N 2 0 310.432 3.442 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275130814 1104640843 /nfs/dbraw/zinc/64/08/43/1104640843.db2.gz HJTPGLKQQWWZLE-LJQANCHMSA-N 2 0 309.542 3.306 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677676 1104658141 /nfs/dbraw/zinc/65/81/41/1104658141.db2.gz KXRMPRVFIVNPQD-UXPWSPDFSA-N 2 0 311.473 3.201 20 30 DGEDRP CCCCCCC[C@H](CC)[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246870940 1104714240 /nfs/dbraw/zinc/71/42/40/1104714240.db2.gz LWBLKESOOSNOJH-OALUTQOASA-N 2 0 309.542 3.480 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC001275326672 1104724017 /nfs/dbraw/zinc/72/40/17/1104724017.db2.gz ACPAHYDHFMIENH-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)C1 ZINC001275412737 1104752044 /nfs/dbraw/zinc/75/20/44/1104752044.db2.gz APROAWPMBGHBSV-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP CCCCCCCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164858 1106028652 /nfs/dbraw/zinc/02/86/52/1106028652.db2.gz YTBVOWQUUNXIHI-UHFFFAOYSA-N 2 0 323.529 3.290 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001254665580 1106127580 /nfs/dbraw/zinc/12/75/80/1106127580.db2.gz OKJTXJFUMGCWHD-IEBWSBKVSA-N 2 0 324.472 3.062 20 30 DGEDRP Cc1ccc(C(=[NH2+])NC2CC[NH+](Cc3ccncc3)CC2)cc1C ZINC001256586993 1106450308 /nfs/dbraw/zinc/45/03/08/1106450308.db2.gz WWJYOYXDLACBKY-UHFFFAOYSA-N 2 0 322.456 3.068 20 30 DGEDRP Cc1ccc(C(=[NH2+])NC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC001256857351 1106498799 /nfs/dbraw/zinc/49/87/99/1106498799.db2.gz XPTXJCTZFGAECX-UHFFFAOYSA-N 2 0 308.429 3.073 20 30 DGEDRP C#CCCC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N=N1 ZINC001258139915 1106680205 /nfs/dbraw/zinc/68/02/05/1106680205.db2.gz QDTISVUHCZKILV-UHFFFAOYSA-N 2 0 324.472 3.249 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCCCCCC2)CC1 ZINC001258244359 1106705300 /nfs/dbraw/zinc/70/53/00/1106705300.db2.gz XJCOJECUNIRZIA-UHFFFAOYSA-N 2 0 319.537 3.391 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC001258293166 1106711405 /nfs/dbraw/zinc/71/14/05/1106711405.db2.gz JUSBMXKPNRDTQN-LJQANCHMSA-N 2 0 319.537 3.247 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000411404780 282224153 /nfs/dbraw/zinc/22/41/53/282224153.db2.gz ZJLQWCVDYJOEJI-FGTMMUONSA-N 2 0 319.493 3.034 20 30 DGEDRP C=CCCOCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727851 210132871 /nfs/dbraw/zinc/13/28/71/210132871.db2.gz GNWANZLGKPYIHM-PKOBYXMFSA-N 2 0 302.462 3.079 20 30 DGEDRP COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000174272886 198313916 /nfs/dbraw/zinc/31/39/16/198313916.db2.gz SVHCCDMRINIDEA-UHFFFAOYSA-N 2 0 315.461 3.169 20 30 DGEDRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1C#N ZINC000174385996 198329255 /nfs/dbraw/zinc/32/92/55/198329255.db2.gz WSOBWAFAHCGUML-UHFFFAOYSA-N 2 0 315.461 3.313 20 30 DGEDRP Cn1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)cc1C#N ZINC000276967966 213208229 /nfs/dbraw/zinc/20/82/29/213208229.db2.gz OJQJWTHIWNKPRV-UHFFFAOYSA-N 2 0 302.466 3.033 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422999709 283215036 /nfs/dbraw/zinc/21/50/36/283215036.db2.gz YHEGWMFBHAYXKP-IAGOWNOFSA-N 2 0 303.475 3.041 20 30 DGEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262308545 296384264 /nfs/dbraw/zinc/38/42/64/296384264.db2.gz RXHQKIYINMULAX-GFCCVEGCSA-N 2 0 324.419 3.202 20 30 DGEDRP Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(C#N)c1 ZINC000600774023 400149498 /nfs/dbraw/zinc/14/94/98/400149498.db2.gz BBCPMKFIXJPPQR-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP N#CC[C@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621088 400210007 /nfs/dbraw/zinc/21/00/07/400210007.db2.gz SYQMWFQPSWFDIM-KDURUIRLSA-N 2 0 316.493 3.408 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000602503538 400481647 /nfs/dbraw/zinc/48/16/47/400481647.db2.gz QALMFQDLLTWJJL-QGZVFWFLSA-N 2 0 321.509 3.330 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012049 400538526 /nfs/dbraw/zinc/53/85/26/400538526.db2.gz KZEQVRXVRCTJTK-APWZRJJASA-N 2 0 311.473 3.404 20 30 DGEDRP N#CC1(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)CC1 ZINC000597117865 400562674 /nfs/dbraw/zinc/56/26/74/400562674.db2.gz YALUHLXJDSIWBV-LJQANCHMSA-N 2 0 319.408 3.290 20 30 DGEDRP COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1C#N ZINC000603111406 400643949 /nfs/dbraw/zinc/64/39/49/400643949.db2.gz QEMKWHWVVXBSOT-UHFFFAOYSA-N 2 0 315.461 3.265 20 30 DGEDRP N#CC1(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000602845782 400589053 /nfs/dbraw/zinc/58/90/53/400589053.db2.gz BMWYDMSRJLOESE-UHFFFAOYSA-N 2 0 312.461 3.458 20 30 DGEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847091 400589657 /nfs/dbraw/zinc/58/96/57/400589657.db2.gz IDPJAWMDBOYZHQ-MRXNPFEDSA-N 2 0 306.413 3.227 20 30 DGEDRP C=C(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000620757795 400967420 /nfs/dbraw/zinc/96/74/20/400967420.db2.gz IRPXJVIEFXOVQM-UHFFFAOYSA-N 2 0 310.441 3.430 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000090523831 401267510 /nfs/dbraw/zinc/26/75/10/401267510.db2.gz HOKBTNVYMJWDIA-OTWHNJEPSA-N 2 0 306.494 3.089 20 30 DGEDRP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1 ZINC000191295111 165242428 /nfs/dbraw/zinc/24/24/28/165242428.db2.gz KUDPWWBJRSWSHJ-VQIMIIECSA-N 2 0 322.456 3.039 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192934129 165309416 /nfs/dbraw/zinc/30/94/16/165309416.db2.gz ZZPUFPNXVANQNV-FQEVSTJZSA-N 2 0 305.425 3.170 20 30 DGEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269404625 432169671 /nfs/dbraw/zinc/16/96/71/432169671.db2.gz HGTYKJNHYZUGMZ-OAHLLOKOSA-N 2 0 303.425 3.299 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247217697 432213003 /nfs/dbraw/zinc/21/30/03/432213003.db2.gz VUJWNZPDTGSQFH-PKOBYXMFSA-N 2 0 300.446 3.168 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185813358 228398758 /nfs/dbraw/zinc/39/87/58/228398758.db2.gz CSCKMAYEAYLHDJ-ZWKOTPCHSA-N 2 0 315.461 3.189 20 30 DGEDRP CCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000450233224 267246370 /nfs/dbraw/zinc/24/63/70/267246370.db2.gz NCZFBNWYEBXMPB-UHFFFAOYSA-N 2 0 320.440 3.228 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000123187277 431857656 /nfs/dbraw/zinc/85/76/56/431857656.db2.gz RAPJQISAPIWDLC-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP N#Cc1csc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924102 432428443 /nfs/dbraw/zinc/42/84/43/432428443.db2.gz GJQOCWLLFLLWTE-INIZCTEOSA-N 2 0 311.454 3.231 20 30 DGEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000267376850 432834046 /nfs/dbraw/zinc/83/40/46/432834046.db2.gz ACKKBGGSRJRTHT-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983232 432924149 /nfs/dbraw/zinc/92/41/49/432924149.db2.gz POXUQMUXWXFVGB-SJORKVTESA-N 2 0 306.450 3.113 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000278535418 432897049 /nfs/dbraw/zinc/89/70/49/432897049.db2.gz FOBABAQWKFEWED-ROUUACIJSA-N 2 0 312.461 3.312 20 30 DGEDRP C=CCC[C@@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453379511 433136549 /nfs/dbraw/zinc/13/65/49/433136549.db2.gz YPRRMYMULJMOGB-GPJFCIFZSA-N 2 0 316.489 3.346 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421336936 433484968 /nfs/dbraw/zinc/48/49/68/433484968.db2.gz XOUPXHYOYVHJJO-HNNXBMFYSA-N 2 0 303.425 3.442 20 30 DGEDRP COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215833 433532252 /nfs/dbraw/zinc/53/22/52/433532252.db2.gz HOXQDSBMDZRTDV-GOSISDBHSA-N 2 0 313.445 3.017 20 30 DGEDRP C#CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377622496 433931469 /nfs/dbraw/zinc/93/14/69/433931469.db2.gz HWSKYARNIYKREO-DFNIBXOVSA-N 2 0 312.457 3.146 20 30 DGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423032582 434177708 /nfs/dbraw/zinc/17/77/08/434177708.db2.gz WFIKAAXETLEBRZ-AWEZNQCLSA-N 2 0 306.413 3.060 20 30 DGEDRP O=C(CN1CCC(c2ncc[nH]2)CC1)NC1CCCCCC1 ZINC000329757317 434476595 /nfs/dbraw/zinc/47/65/95/434476595.db2.gz MVDRSXKDFWLRNA-UHFFFAOYSA-N 2 0 304.438 3.268 20 30 DGEDRP N#CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000366892129 434527505 /nfs/dbraw/zinc/52/75/05/434527505.db2.gz YLIGWVOGUOAOSK-GBESFXJTSA-N 2 0 309.457 3.180 20 30 DGEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459734029 434684460 /nfs/dbraw/zinc/68/44/60/434684460.db2.gz RGDRFIVQOGSMLB-GBESFXJTSA-N 2 0 311.473 3.426 20 30 DGEDRP C=CCOCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576879512 435058165 /nfs/dbraw/zinc/05/81/65/435058165.db2.gz NXBRHNVFPCOMRQ-KRWDZBQOSA-N 2 0 322.518 3.403 20 30 DGEDRP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567604300 435332967 /nfs/dbraw/zinc/33/29/67/435332967.db2.gz NJARCGWOQHXSIP-FAJBIJEISA-N 2 0 313.445 3.018 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000516702096 435547309 /nfs/dbraw/zinc/54/73/09/435547309.db2.gz KUUXISYJOHSTHO-AEFFLSMTSA-N 2 0 312.461 3.040 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000651322005 436164951 /nfs/dbraw/zinc/16/49/51/436164951.db2.gz PSYJGYPQBYVTBD-AQNXPRMDSA-N 2 0 314.473 3.222 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136631 436385096 /nfs/dbraw/zinc/38/50/96/436385096.db2.gz DQADIZOJKUMKDV-RTBURBONSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789757 334097696 /nfs/dbraw/zinc/09/76/96/334097696.db2.gz YVQNMBCVSXNRDV-ROUUACIJSA-N 2 0 300.446 3.073 20 30 DGEDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859669 533985764 /nfs/dbraw/zinc/98/57/64/533985764.db2.gz NAFOHMYYLHNHRZ-UAGQMJEPSA-N 2 0 301.434 3.112 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449082744 534696322 /nfs/dbraw/zinc/69/63/22/534696322.db2.gz PNGHVUABEMGQIZ-QGZVFWFLSA-N 2 0 316.493 3.058 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347108614 526865559 /nfs/dbraw/zinc/86/55/59/526865559.db2.gz OYEHNGHJFQYOSX-LJQANCHMSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347232055 526932462 /nfs/dbraw/zinc/93/24/62/526932462.db2.gz YMUDKGDXERKFHC-GOSISDBHSA-N 2 0 300.446 3.215 20 30 DGEDRP CC(C)(C#N)CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182955689 527462162 /nfs/dbraw/zinc/46/21/62/527462162.db2.gz HUWVPAYKJBWPOK-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP CC1(C#N)CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449250378 535273232 /nfs/dbraw/zinc/27/32/32/535273232.db2.gz LPFUUWDAVSAHIC-UHFFFAOYSA-N 2 0 312.461 3.360 20 30 DGEDRP Cc1ccncc1[C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c1cnccc1C ZINC000671243009 547779857 /nfs/dbraw/zinc/77/98/57/547779857.db2.gz FRQYRIIHDQVRRS-QZTJIDSGSA-N 2 0 322.456 3.098 20 30 DGEDRP C=C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678242600 548651956 /nfs/dbraw/zinc/65/19/56/548651956.db2.gz OCWNPZAIAGUQAC-UHFFFAOYSA-N 2 0 300.446 3.313 20 30 DGEDRP C=CCCC[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678722479 548752652 /nfs/dbraw/zinc/75/26/52/548752652.db2.gz ZCFIPBXCOLPPMY-SFHVURJKSA-N 2 0 307.526 3.222 20 30 DGEDRP C[N@H+](CCCOc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000743855198 575065957 /nfs/dbraw/zinc/06/59/57/575065957.db2.gz FSRBIAICTOQWFB-SFHVURJKSA-N 2 0 315.461 3.133 20 30 DGEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000903253711 619745295 /nfs/dbraw/zinc/74/52/95/619745295.db2.gz ORQIXGJTRANHNP-LSJNQWAISA-N 2 0 312.461 3.401 20 30 DGEDRP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000903463424 619777436 /nfs/dbraw/zinc/77/74/36/619777436.db2.gz ASKXCQRJTRRHFO-KRWDZBQOSA-N 2 0 317.864 3.423 20 30 DGEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903987822 619852533 /nfs/dbraw/zinc/85/25/33/619852533.db2.gz KLUCJMUNTMSDDA-UHFFFAOYSA-N 2 0 319.452 3.315 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000759187903 621833599 /nfs/dbraw/zinc/83/35/99/621833599.db2.gz SWVUOYGHAATGHM-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)ccc1C#N ZINC000865717095 621982802 /nfs/dbraw/zinc/98/28/02/621982802.db2.gz OFXFBHHCBPBQMB-UHFFFAOYSA-N 2 0 315.461 3.167 20 30 DGEDRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000873238032 623086947 /nfs/dbraw/zinc/08/69/47/623086947.db2.gz VRTIQUMTXZTJKC-OAHLLOKOSA-N 2 0 321.424 3.085 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294117 623106402 /nfs/dbraw/zinc/10/64/02/623106402.db2.gz SUHBIXVUQDOIGQ-HOTGVXAUSA-N 2 0 304.434 3.035 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000790751780 625692948 /nfs/dbraw/zinc/69/29/48/625692948.db2.gz XOGZQIMMTAJWSD-KRWDZBQOSA-N 2 0 314.473 3.471 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000883194684 625965215 /nfs/dbraw/zinc/96/52/15/625965215.db2.gz ALZFMZMZWOTJTC-OALUTQOASA-N 2 0 306.494 3.497 20 30 DGEDRP N#CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605637 627171835 /nfs/dbraw/zinc/17/18/35/627171835.db2.gz VWMGVVAKIFKEOW-OTWHNJEPSA-N 2 0 309.457 3.323 20 30 DGEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133173 627227684 /nfs/dbraw/zinc/22/76/84/627227684.db2.gz VQTRQAMGTSAGSI-JKSUJKDBSA-N 2 0 306.413 3.225 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000104181355 627412701 /nfs/dbraw/zinc/41/27/01/627412701.db2.gz AVXOTYOGVDOKBO-INIZCTEOSA-N 2 0 302.466 3.150 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779297 627793574 /nfs/dbraw/zinc/79/35/74/627793574.db2.gz WOEFPMOZYZRQNF-RDJZCZTQSA-N 2 0 319.399 3.160 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000817939264 627967561 /nfs/dbraw/zinc/96/75/61/627967561.db2.gz BRDIQCFFMCHCFG-CQSZACIVSA-N 2 0 308.853 3.468 20 30 DGEDRP C#CC[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829805207 629195465 /nfs/dbraw/zinc/19/54/65/629195465.db2.gz QZUHBGJJJZHNIW-PMACEKPBSA-N 2 0 300.490 3.237 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835062670 629841442 /nfs/dbraw/zinc/84/14/42/629841442.db2.gz FGEHSSXYXHBVMM-UHFFFAOYSA-N 2 0 320.864 3.316 20 30 DGEDRP C=C[C@H](C)O[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844622891 630744188 /nfs/dbraw/zinc/74/41/88/630744188.db2.gz CRZJXWKHZQHVEM-HNNXBMFYSA-N 2 0 301.434 3.142 20 30 DGEDRP CCC[N@H+](C)[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000849053022 631819495 /nfs/dbraw/zinc/81/94/95/631819495.db2.gz ZRPLSOBZDSDFCZ-INIZCTEOSA-N 2 0 324.900 3.202 20 30 DGEDRP c1ccc(NC(=[NH+]CC[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000849054874 631821252 /nfs/dbraw/zinc/82/12/52/631821252.db2.gz WYKKACBWLFWHJT-UHFFFAOYSA-N 2 0 314.477 3.426 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303774596 657561104 /nfs/dbraw/zinc/56/11/04/657561104.db2.gz GBMYHBZJRFZQBS-HNNXBMFYSA-N 2 0 314.477 3.166 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303787225 657563333 /nfs/dbraw/zinc/56/33/33/657563333.db2.gz SHJKDWUJZNTADW-KRWDZBQOSA-N 2 0 302.466 3.096 20 30 DGEDRP CCCCCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000303788152 657563935 /nfs/dbraw/zinc/56/39/35/657563935.db2.gz TZLAKHUASDJBMB-OAHLLOKOSA-N 2 0 322.522 3.370 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303792334 657565577 /nfs/dbraw/zinc/56/55/77/657565577.db2.gz YJODRBPVAJZGMF-MRXNPFEDSA-N 2 0 302.466 3.295 20 30 DGEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2c(CC)cccc2CC)C1 ZINC000303868789 657567887 /nfs/dbraw/zinc/56/78/87/657567887.db2.gz DOAVIWJJRDSAJJ-HNNXBMFYSA-N 2 0 316.493 3.270 20 30 DGEDRP CCCCCCNC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000303885867 657571640 /nfs/dbraw/zinc/57/16/40/657571640.db2.gz NLPPXXIMCNRKFO-UHFFFAOYSA-N 2 0 304.482 3.123 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000303883905 657572020 /nfs/dbraw/zinc/57/20/20/657572020.db2.gz IWJDXSSJFIOVDT-UHFFFAOYSA-N 2 0 316.493 3.488 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303882711 657572139 /nfs/dbraw/zinc/57/21/39/657572139.db2.gz IIISFKROFIPHLR-JKSUJKDBSA-N 2 0 302.466 3.293 20 30 DGEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303896530 657574342 /nfs/dbraw/zinc/57/43/42/657574342.db2.gz UOUATPBNIVRTIV-MRXNPFEDSA-N 2 0 318.465 3.076 20 30 DGEDRP Cc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)cc1 ZINC000303904713 657577052 /nfs/dbraw/zinc/57/70/52/657577052.db2.gz YZLUGDMNISSGEU-GOSISDBHSA-N 2 0 316.493 3.082 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303902924 657577315 /nfs/dbraw/zinc/57/73/15/657577315.db2.gz UIGNKIOTDPHHSK-GJZGRUSLSA-N 2 0 302.466 3.096 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303908582 657579246 /nfs/dbraw/zinc/57/92/46/657579246.db2.gz XQFNQFUYVHLJHD-OAHLLOKOSA-N 2 0 302.466 3.269 20 30 DGEDRP CCC(CC)(CNC(NC1CC1)=[NH+]C)[NH2+][C@H](C)c1ccccc1 ZINC000304032031 657588676 /nfs/dbraw/zinc/58/86/76/657588676.db2.gz GMHRJFUKWHUOJN-OAHLLOKOSA-N 2 0 316.493 3.223 20 30 DGEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+](C)C ZINC000304664196 657642254 /nfs/dbraw/zinc/64/22/54/657642254.db2.gz KKNPDQULJKFEMA-INIZCTEOSA-N 2 0 316.493 3.268 20 30 DGEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304739028 657645726 /nfs/dbraw/zinc/64/57/26/657645726.db2.gz AYXYNTOOHRJBDI-KRWDZBQOSA-N 2 0 302.466 3.411 20 30 DGEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccccc1 ZINC000304765745 657650455 /nfs/dbraw/zinc/65/04/55/657650455.db2.gz ZQXANANFOFXTQV-HZPDHXFCSA-N 2 0 316.493 3.162 20 30 DGEDRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCCCCC1 ZINC000305067397 657671834 /nfs/dbraw/zinc/67/18/34/657671834.db2.gz NKFUXOVISUBXEX-SFHVURJKSA-N 2 0 314.477 3.014 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157390171 659055715 /nfs/dbraw/zinc/05/57/15/659055715.db2.gz LXXRPOVGHLQHOV-KRWDZBQOSA-N 2 0 316.493 3.344 20 30 DGEDRP C=CC[NH+]1CCC(/[NH+]=C/c2ccc(N(CC)CC)cc2O)CC1 ZINC000171647798 659293650 /nfs/dbraw/zinc/29/36/50/659293650.db2.gz OKBUQKVDPSVQTP-HMMYKYKNSA-N 2 0 315.461 3.308 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000237578382 659930026 /nfs/dbraw/zinc/93/00/26/659930026.db2.gz WQEWMVMRNGUQOZ-MRXNPFEDSA-N 2 0 323.440 3.329 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929762050 661335947 /nfs/dbraw/zinc/33/59/47/661335947.db2.gz BRNFNNLCZMLSDU-GOSISDBHSA-N 2 0 311.473 3.339 20 30 DGEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000931683508 661497676 /nfs/dbraw/zinc/49/76/76/661497676.db2.gz KLJZIYRUIHDITI-KRWDZBQOSA-N 2 0 312.461 3.456 20 30 DGEDRP C#CCC1([NH2+]Cc2cncc(C[NH2+]C3(CC#C)CCC3)c2)CCC1 ZINC000933296899 661628125 /nfs/dbraw/zinc/62/81/25/661628125.db2.gz QMNYAFVCCFBOJZ-UHFFFAOYSA-N 2 0 321.468 3.153 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247292033 662306180 /nfs/dbraw/zinc/30/61/80/662306180.db2.gz ZFHOBNMSGWHPPG-AZUAARDMSA-N 2 0 312.457 3.005 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043417 662326701 /nfs/dbraw/zinc/32/67/01/662326701.db2.gz ZFHOBNMSGWHPPG-QUCCMNQESA-N 2 0 312.457 3.005 20 30 DGEDRP N#CC1(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCCCC1 ZINC001580037935 1192004330 /nfs/dbraw/zinc/00/43/30/1192004330.db2.gz AXVHNEIABROOAU-QZTJIDSGSA-N 2 0 319.493 3.069 20 30 DGEDRP C=CCCC[N@@H+](CC)CCCN1CCN(c2ccccc2)CC1 ZINC001620646711 1192057438 /nfs/dbraw/zinc/05/74/38/1192057438.db2.gz MFMLEWQGONCNRJ-UHFFFAOYSA-N 2 0 315.505 3.487 20 30 DGEDRP C#CCCCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC001559840937 1189248944 /nfs/dbraw/zinc/24/89/44/1189248944.db2.gz UNZJQPXSYVGXCU-UHFFFAOYSA-N 2 0 306.494 3.004 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001569528140 1190713658 /nfs/dbraw/zinc/71/36/58/1190713658.db2.gz UCHAVZSRMFGJQH-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1O ZINC001655725489 1195956120 /nfs/dbraw/zinc/95/61/20/1195956120.db2.gz YLFBOVLDWVDDIO-DLBZAZTESA-N 2 0 318.461 3.092 20 30 DGEDRP C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1O ZINC001655725492 1195956761 /nfs/dbraw/zinc/95/67/61/1195956761.db2.gz YLFBOVLDWVDDIO-SJORKVTESA-N 2 0 318.461 3.092 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001657522620 1196151290 /nfs/dbraw/zinc/15/12/90/1196151290.db2.gz IFQXWLUMARQDDZ-VQIMIIECSA-N 2 0 302.462 3.088 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001658219872 1196227897 /nfs/dbraw/zinc/22/78/97/1196227897.db2.gz LFMPTKXDSLUHPO-UHFFFAOYSA-N 2 0 314.477 3.287 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001660264695 1196463660 /nfs/dbraw/zinc/46/36/60/1196463660.db2.gz AOZTWPNYQPMXHL-IBGZPJMESA-N 2 0 315.505 3.315 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000104155325 1199517077 /nfs/dbraw/zinc/51/70/77/1199517077.db2.gz HHFFWBSNBSQJOL-QGZVFWFLSA-N 2 0 314.408 3.164 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000303886798 1199601122 /nfs/dbraw/zinc/60/11/22/1199601122.db2.gz NZTSAYXDGGFBBL-HNNXBMFYSA-N 2 0 316.493 3.270 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291101 1201520936 /nfs/dbraw/zinc/52/09/36/1201520936.db2.gz NBNIZNRPKHYMRU-SFHVURJKSA-N 2 0 322.456 3.244 20 30 DGEDRP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132440442 1082910131 /nfs/dbraw/zinc/91/01/31/1082910131.db2.gz AJWCPKYLSUQGTN-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP N#Cc1c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)sc2c1CC[NH2+]C2 ZINC001159157352 1088210604 /nfs/dbraw/zinc/21/06/04/1088210604.db2.gz HWCWBIZJPFRTGT-MRXNPFEDSA-N 2 0 324.453 3.434 20 30 DGEDRP N#Cc1cc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159775404 1088477005 /nfs/dbraw/zinc/47/70/05/1088477005.db2.gz HQHUICVTARSEBH-INIZCTEOSA-N 2 0 318.424 3.066 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001162481114 1089754639 /nfs/dbraw/zinc/75/46/39/1089754639.db2.gz ILRROTKCSLSWOS-RYQLBKOJSA-N 2 0 303.425 3.121 20 30 DGEDRP [NH2+]=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001163680059 1090231459 /nfs/dbraw/zinc/23/14/59/1090231459.db2.gz IIEQQRWRNBLJJX-UHFFFAOYSA-N 2 0 305.303 3.346 20 30 DGEDRP C=CCC[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203314195 1090719426 /nfs/dbraw/zinc/71/94/26/1090719426.db2.gz ZARKUGJBYNZNQA-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001204359691 1090955618 /nfs/dbraw/zinc/95/56/18/1090955618.db2.gz QIZPBIQVRMMLGK-UXHICEINSA-N 2 0 311.473 3.490 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001139527770 1091586254 /nfs/dbraw/zinc/58/62/54/1091586254.db2.gz OZKUKLPNOZLFGL-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCC2CCCC2)CC1 ZINC001208094666 1092194205 /nfs/dbraw/zinc/19/42/05/1092194205.db2.gz ORENPIIQIZGYHF-UHFFFAOYSA-N 2 0 319.537 3.248 20 30 DGEDRP CC[NH+]1CCC(C[NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001208603161 1092421709 /nfs/dbraw/zinc/42/17/09/1092421709.db2.gz VDUZTKRQIPQPCM-UHFFFAOYSA-N 2 0 310.485 3.482 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC001276684907 1093180562 /nfs/dbraw/zinc/18/05/62/1093180562.db2.gz PCVVTTDGBQDIQL-IBGZPJMESA-N 2 0 300.446 3.038 20 30 DGEDRP C[C@H]1[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217908181 1094514935 /nfs/dbraw/zinc/51/49/35/1094514935.db2.gz OYAGOICJMHCGMT-CRAIPNDOSA-N 2 0 300.447 3.100 20 30 DGEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC001336858360 1094762637 /nfs/dbraw/zinc/76/26/37/1094762637.db2.gz LXALSSMMXQWHIA-UHFFFAOYSA-N 2 0 318.852 3.103 20 30 DGEDRP N#Cc1cc[nH]c1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222120194 1095444287 /nfs/dbraw/zinc/44/42/87/1095444287.db2.gz UIDSPTGOGJMCIE-UHFFFAOYSA-N 2 0 300.450 3.022 20 30 DGEDRP C(#Cc1ccccc1C[NH+]1CCC2(C[NH2+]C2)CC1)c1ccccc1 ZINC001222204167 1095491438 /nfs/dbraw/zinc/49/14/38/1095491438.db2.gz VAPDOPBPHJUPGL-UHFFFAOYSA-N 2 0 316.448 3.272 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001222265453 1095518253 /nfs/dbraw/zinc/51/82/53/1095518253.db2.gz SXCNGXFFKGAPFY-IBGZPJMESA-N 2 0 300.446 3.086 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314408 1095546723 /nfs/dbraw/zinc/54/67/23/1095546723.db2.gz FSNZRWQXGYOJKD-IBGZPJMESA-N 2 0 300.446 3.360 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1)c1ccccc1 ZINC001222620391 1095695759 /nfs/dbraw/zinc/69/57/59/1095695759.db2.gz PXRRVRDYEVLDQK-FCHUYYIVSA-N 2 0 316.448 3.270 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237701 1095889544 /nfs/dbraw/zinc/88/95/44/1095889544.db2.gz RWFQESHXFMXMSE-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171247272 1095916546 /nfs/dbraw/zinc/91/65/46/1095916546.db2.gz KOUXHQFVZGTOQM-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398626 1096032328 /nfs/dbraw/zinc/03/23/28/1096032328.db2.gz PLWRLXMDRRWLMJ-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146600658 1096069289 /nfs/dbraw/zinc/06/92/89/1096069289.db2.gz HZJJROGJEMUKQN-DLBZAZTESA-N 2 0 313.530 3.170 20 30 DGEDRP C[C@@H](C[NH2+][C@H](C)Cc1ccc(C#N)cc1)CC(C)(C)CC[NH3+] ZINC001172300053 1097110019 /nfs/dbraw/zinc/11/00/19/1097110019.db2.gz RKYMARABZUMMGQ-HZPDHXFCSA-N 2 0 301.478 3.480 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229170470 1097269341 /nfs/dbraw/zinc/26/93/41/1097269341.db2.gz CERVZNPJQDPAGE-FUHWJXTLSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229851920 1097399599 /nfs/dbraw/zinc/39/95/99/1097399599.db2.gz AGVJMTAEWDCZGY-KZNAEPCWSA-N 2 0 323.525 3.090 20 30 DGEDRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337346 1097422063 /nfs/dbraw/zinc/42/20/63/1097422063.db2.gz ILMWIIBOJBSDRW-TVPLGVNVSA-N 2 0 319.493 3.034 20 30 DGEDRP C#Cc1cccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c1 ZINC001235095055 1098797322 /nfs/dbraw/zinc/79/73/22/1098797322.db2.gz SVTDPDGUZJVAGP-UHFFFAOYSA-N 2 0 316.448 3.305 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1O ZINC001235153196 1098839215 /nfs/dbraw/zinc/83/92/15/1098839215.db2.gz IPJVAPZISZYFSS-IBGZPJMESA-N 2 0 314.473 3.475 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235154483 1098839393 /nfs/dbraw/zinc/83/93/93/1098839393.db2.gz LYNMBGMJVVLDPI-HXUWFJFHSA-N 2 0 322.456 3.394 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178733513 1098919924 /nfs/dbraw/zinc/91/99/24/1098919924.db2.gz ONQABBSKVQPHOL-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178728685 1098929725 /nfs/dbraw/zinc/92/97/25/1098929725.db2.gz AJRMLXLQJIYLSE-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235368836 1098983897 /nfs/dbraw/zinc/98/38/97/1098983897.db2.gz OIUXGNRVTKMTNW-GUDVDZBRSA-N 2 0 306.494 3.356 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235424833 1099017312 /nfs/dbraw/zinc/01/73/12/1099017312.db2.gz KJTMDMLHWIGPCY-PMACEKPBSA-N 2 0 311.473 3.202 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179133801 1099025595 /nfs/dbraw/zinc/02/55/95/1099025595.db2.gz ASDDREKNBASUGM-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235431913 1099029696 /nfs/dbraw/zinc/02/96/96/1099029696.db2.gz PCQNTNSOUABXAK-QZTJIDSGSA-N 2 0 322.456 3.251 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccccc3CC#N)CC2)CC1 ZINC001235523340 1099073093 /nfs/dbraw/zinc/07/30/93/1099073093.db2.gz QVKOAZKEQMNYPM-UHFFFAOYSA-N 2 0 311.473 3.306 20 30 DGEDRP N#Cc1ccc(CCC[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235701222 1099136633 /nfs/dbraw/zinc/13/66/33/1099136633.db2.gz FXFCEMJSACVLRS-UHFFFAOYSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235787998 1099178885 /nfs/dbraw/zinc/17/88/85/1099178885.db2.gz AYSRJOLHNHITCA-HXUWFJFHSA-N 2 0 311.473 3.345 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180373081 1099400686 /nfs/dbraw/zinc/40/06/86/1099400686.db2.gz RLDAQAPMFLSSFA-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc(CC[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236284939 1099516962 /nfs/dbraw/zinc/51/69/62/1099516962.db2.gz AJECDRCTVMOCSL-UHFFFAOYSA-N 2 0 319.452 3.355 20 30 DGEDRP CCN(CCC[NH+](C)C)Cc1ccc(C#N)c(Br)c1 ZINC001236865813 1099840741 /nfs/dbraw/zinc/84/07/41/1099840741.db2.gz GYPNUNFQWMCYTB-UHFFFAOYSA-N 2 0 324.266 3.094 20 30 DGEDRP CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236866098 1099841014 /nfs/dbraw/zinc/84/10/14/1099841014.db2.gz SBTTVXYRDVREJZ-SFHVURJKSA-N 2 0 322.456 3.495 20 30 DGEDRP C[N@@H+]1CC[C@H](c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)C1 ZINC001240361491 1100959044 /nfs/dbraw/zinc/95/90/44/1100959044.db2.gz QXCGWQQFYXPWKZ-SFHVURJKSA-N 2 0 317.436 3.331 20 30 DGEDRP N#CC1(c2ccccc2-c2ccc3c(c2)CC[NH2+]C3)CC[NH2+]CC1 ZINC001240459280 1101005700 /nfs/dbraw/zinc/00/57/00/1101005700.db2.gz XCWDRFKFYAFXMG-UHFFFAOYSA-N 2 0 317.436 3.144 20 30 DGEDRP Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C#N ZINC001328835509 1104086819 /nfs/dbraw/zinc/08/68/19/1104086819.db2.gz WEQCIMQTLMEPPG-MRXNPFEDSA-N 2 0 308.429 3.055 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1(CC2CC2)CC[NH2+]CC1 ZINC001245997470 1104348557 /nfs/dbraw/zinc/34/85/57/1104348557.db2.gz PBRMCSIHYBNIEL-GOSISDBHSA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCCCC[C@@H](O)CNC(=[NH2+])C1CC[NH2+]CC1 ZINC001246003212 1104350671 /nfs/dbraw/zinc/35/06/71/1104350671.db2.gz PWMSBGPZYRKJEL-QGZVFWFLSA-N 2 0 311.514 3.445 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246039502 1104357042 /nfs/dbraw/zinc/35/70/42/1104357042.db2.gz NEHHQIXEYYRGSI-BZSNNMDCSA-N 2 0 314.489 3.121 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246130495 1104400218 /nfs/dbraw/zinc/40/02/18/1104400218.db2.gz TVXFPVKSJYLBGP-QYZOEREBSA-N 2 0 309.542 3.399 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CCOCCOCC[NH3+] ZINC001246285245 1104474239 /nfs/dbraw/zinc/47/42/39/1104474239.db2.gz QOGYAVOTCRTJRQ-GOSISDBHSA-N 2 0 316.530 3.343 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246326278 1104491337 /nfs/dbraw/zinc/49/13/37/1104491337.db2.gz FIVWIPXBHZRKHJ-IRXDYDNUSA-N 2 0 312.498 3.256 20 30 DGEDRP CCCC[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327918 1104492536 /nfs/dbraw/zinc/49/25/36/1104492536.db2.gz KFZFXVSOVILAPJ-MSOLQXFVSA-N 2 0 315.461 3.228 20 30 DGEDRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328304 1104493075 /nfs/dbraw/zinc/49/30/75/1104493075.db2.gz KZQZMANGPOWFMS-FUHWJXTLSA-N 2 0 315.461 3.083 20 30 DGEDRP C=CCCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001274964394 1104556657 /nfs/dbraw/zinc/55/66/57/1104556657.db2.gz LFOCHOHOSGOHGF-UHFFFAOYSA-N 2 0 316.493 3.027 20 30 DGEDRP C=CCCC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001274962707 1104557604 /nfs/dbraw/zinc/55/76/04/1104557604.db2.gz SIHDVSOTVOWDFO-UHFFFAOYSA-N 2 0 302.466 3.054 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001274974682 1104564594 /nfs/dbraw/zinc/56/45/94/1104564594.db2.gz OVGDILAQTGFDFU-UHFFFAOYSA-N 2 0 302.466 3.054 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001275032586 1104586764 /nfs/dbraw/zinc/58/67/64/1104586764.db2.gz VUUZIVMDNSUIGN-UHFFFAOYSA-N 2 0 324.472 3.184 20 30 DGEDRP CCCCCCC[C@H](CC)[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001246885381 1104722310 /nfs/dbraw/zinc/72/23/10/1104722310.db2.gz GBRZGIYRZAYGAI-SFHVURJKSA-N 2 0 309.542 3.495 20 30 DGEDRP C(#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC001246919387 1104736886 /nfs/dbraw/zinc/73/68/86/1104736886.db2.gz ATXSKSXWPKFTFI-WKCHPHFGSA-N 2 0 308.469 3.423 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3c[nH]c4c3cccc4C#N)CC2)C1 ZINC001275368375 1104737555 /nfs/dbraw/zinc/73/75/55/1104737555.db2.gz SXZIZUASFAZAKJ-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252620675 1105805361 /nfs/dbraw/zinc/80/53/61/1105805361.db2.gz NRZNNWOTQOFMMJ-HAGHYFMRSA-N 2 0 314.473 3.099 20 30 DGEDRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254346070 1106057254 /nfs/dbraw/zinc/05/72/54/1106057254.db2.gz ITVSULKLBQRYNE-MNNVXMFVSA-N 2 0 315.436 3.071 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001254651039 1106122492 /nfs/dbraw/zinc/12/24/92/1106122492.db2.gz ZWAHQUKHEQZXED-WMZOPIPTSA-N 2 0 315.436 3.320 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001254668675 1106128366 /nfs/dbraw/zinc/12/83/66/1106128366.db2.gz HTYGRVUVTXHCPQ-RTBURBONSA-N 2 0 309.457 3.277 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673744 1106130465 /nfs/dbraw/zinc/13/04/65/1106130465.db2.gz OFHICNDNPFVDSC-ZRNYENFQSA-N 2 0 309.457 3.133 20 30 DGEDRP SC1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407241 1106247229 /nfs/dbraw/zinc/24/72/29/1106247229.db2.gz XTGAZVCWJIHHHI-QGZVFWFLSA-N 2 0 304.503 3.435 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258040482 1106663311 /nfs/dbraw/zinc/66/33/11/1106663311.db2.gz DMFYFHYNLCRIRF-VQHPVUNQSA-N 2 0 300.487 3.050 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCC=C(C)C)CC1 ZINC001258095533 1106671501 /nfs/dbraw/zinc/67/15/01/1106671501.db2.gz HHXLUWFBUBFXHE-HXUWFJFHSA-N 2 0 319.537 3.413 20 30 DGEDRP CCC[NH+]1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001258769171 1106963930 /nfs/dbraw/zinc/96/39/30/1106963930.db2.gz DWAUORKIWHHYAO-UHFFFAOYSA-N 2 0 311.429 3.125 20 30 DGEDRP C=CCO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001261360349 1107414142 /nfs/dbraw/zinc/41/41/42/1107414142.db2.gz ITTLOSIETUJZIA-HXUWFJFHSA-N 2 0 314.473 3.449 20 30 DGEDRP C=C[C@@H](COC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001322452026 1107677828 /nfs/dbraw/zinc/67/78/28/1107677828.db2.gz NMXTYVFWRQLNJW-VIQWUECVSA-N 2 0 302.462 3.220 20 30 DGEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001264122503 1108384924 /nfs/dbraw/zinc/38/49/24/1108384924.db2.gz OCHKYBUSZWVKCC-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(C#N)c1 ZINC000181627262 199329258 /nfs/dbraw/zinc/32/92/58/199329258.db2.gz ZURAWZKMFKRIAJ-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104181503 432014898 /nfs/dbraw/zinc/01/48/98/432014898.db2.gz PAIHHGICUWZVEV-HNNXBMFYSA-N 2 0 314.477 3.022 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174429679 198333581 /nfs/dbraw/zinc/33/35/81/198333581.db2.gz MNFVLGUNVGTVRM-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000449184729 240057137 /nfs/dbraw/zinc/05/71/37/240057137.db2.gz IHDZLZXLRBHYJZ-QXAKKESOSA-N 2 0 308.510 3.479 20 30 DGEDRP N#Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000600790415 400156333 /nfs/dbraw/zinc/15/63/33/400156333.db2.gz ZBQOABXJDBBUDS-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595896457 400290662 /nfs/dbraw/zinc/29/06/62/400290662.db2.gz PPAUBBPWSQGULT-UHFFFAOYSA-N 2 0 311.351 3.138 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000602503537 400481183 /nfs/dbraw/zinc/48/11/83/400481183.db2.gz QALMFQDLLTWJJL-KRWDZBQOSA-N 2 0 321.509 3.330 20 30 DGEDRP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000597127927 400565077 /nfs/dbraw/zinc/56/50/77/400565077.db2.gz RXRQMRLPOQHDPR-DFNIBXOVSA-N 2 0 309.457 3.299 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000597135439 400567639 /nfs/dbraw/zinc/56/76/39/400567639.db2.gz LCTQIWLTVYNPEQ-IBGZPJMESA-N 2 0 309.457 3.159 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1C#N ZINC000599338794 401026044 /nfs/dbraw/zinc/02/60/44/401026044.db2.gz HDXIZVINBNDNAV-UHFFFAOYSA-N 2 0 306.413 3.338 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192140690 165283731 /nfs/dbraw/zinc/28/37/31/165283731.db2.gz YFGCTXRFOPLBCD-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337170413 229044436 /nfs/dbraw/zinc/04/44/36/229044436.db2.gz CTRNKUQANDALDU-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092587611 431910361 /nfs/dbraw/zinc/91/03/61/431910361.db2.gz JYXAZAPPCFIEGM-CALCHBBNSA-N 2 0 321.509 3.138 20 30 DGEDRP C=CCCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000193323660 432464741 /nfs/dbraw/zinc/46/47/41/432464741.db2.gz KJWYRJROJXBOLN-KDURUIRLSA-N 2 0 307.526 3.223 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H](C)C1 ZINC000187009066 432641461 /nfs/dbraw/zinc/64/14/61/432641461.db2.gz YFPJQEOSCMBXGQ-IAGOWNOFSA-N 2 0 309.498 3.043 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268066165 432841548 /nfs/dbraw/zinc/84/15/48/432841548.db2.gz HLCJFJNGPYUENT-INIZCTEOSA-N 2 0 302.466 3.008 20 30 DGEDRP CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278875683 432911862 /nfs/dbraw/zinc/91/18/62/432911862.db2.gz XLUCFYMIRJGQRJ-VQIMIIECSA-N 2 0 315.461 3.100 20 30 DGEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421326057 433478414 /nfs/dbraw/zinc/47/84/14/433478414.db2.gz NDLILJQMJMXMQN-UHFFFAOYSA-N 2 0 311.404 3.439 20 30 DGEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1C[NH2+]C1 ZINC000423029577 434178428 /nfs/dbraw/zinc/17/84/28/434178428.db2.gz ILFZLLLNSWIFBT-LSDHHAIUSA-N 2 0 305.425 3.484 20 30 DGEDRP N#CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000366892130 434529035 /nfs/dbraw/zinc/52/90/35/434529035.db2.gz YLIGWVOGUOAOSK-GUDVDZBRSA-N 2 0 309.457 3.180 20 30 DGEDRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1C#N ZINC000514774942 435437352 /nfs/dbraw/zinc/43/73/52/435437352.db2.gz ZDLDCGHEVVTPEV-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000651733317 435808594 /nfs/dbraw/zinc/80/85/94/435808594.db2.gz DJMRVYPNEYRRRV-LULLPPNCSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594845 436256866 /nfs/dbraw/zinc/25/68/66/436256866.db2.gz DEBMJTRNLZKSJS-LSTHTHJFSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347316 436443701 /nfs/dbraw/zinc/44/37/01/436443701.db2.gz KEWIIHSNKLWMFL-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000293564456 334199135 /nfs/dbraw/zinc/19/91/35/334199135.db2.gz MJSGHNQLUDQTGF-VAMGGRTRSA-N 2 0 309.457 3.277 20 30 DGEDRP C=CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000572243049 337600008 /nfs/dbraw/zinc/60/00/08/337600008.db2.gz JKTJCRDFSKARIA-UHFFFAOYSA-N 2 0 312.413 3.009 20 30 DGEDRP C=CCOCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352446907 526758978 /nfs/dbraw/zinc/75/89/78/526758978.db2.gz HWTUSQDCZWOKLI-WOJBJXKFSA-N 2 0 314.473 3.033 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000180732481 526901251 /nfs/dbraw/zinc/90/12/51/526901251.db2.gz VUJWNZPDTGSQFH-MJGOQNOKSA-N 2 0 300.446 3.168 20 30 DGEDRP CC(C)(CCC#N)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180795266 526983489 /nfs/dbraw/zinc/98/34/89/526983489.db2.gz ISLDRBQTLILRBJ-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccco1 ZINC000286121529 527446739 /nfs/dbraw/zinc/44/67/39/527446739.db2.gz ODEPFQQYFLFWRR-GOSISDBHSA-N 2 0 319.493 3.150 20 30 DGEDRP COc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000925583520 618500635 /nfs/dbraw/zinc/50/06/35/618500635.db2.gz MAPFHALFVUOSRW-HNNXBMFYSA-N 2 0 323.440 3.479 20 30 DGEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000901153073 619474835 /nfs/dbraw/zinc/47/48/35/619474835.db2.gz UTDARZCKFFVPLB-UHFFFAOYSA-N 2 0 315.461 3.105 20 30 DGEDRP C#CC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)C1CCN(C)CC1 ZINC000902536971 619646777 /nfs/dbraw/zinc/64/67/77/619646777.db2.gz KHRSASMPGCZWOA-UHFFFAOYSA-N 2 0 314.473 3.353 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]1(C)CCCCO1 ZINC000902741965 619668986 /nfs/dbraw/zinc/66/89/86/619668986.db2.gz JIQJFWJFOOCSIJ-YTQUADARSA-N 2 0 306.494 3.354 20 30 DGEDRP C=CCC[C@H](O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343820 621178340 /nfs/dbraw/zinc/17/83/40/621178340.db2.gz XORAPPXKIFXIBM-DLBZAZTESA-N 2 0 320.502 3.019 20 30 DGEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)(c2ccccc2)CC1 ZINC000865773954 621992698 /nfs/dbraw/zinc/99/26/98/621992698.db2.gz KGIILWNZSDBCKG-UHFFFAOYSA-N 2 0 319.452 3.311 20 30 DGEDRP C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000873270869 623099718 /nfs/dbraw/zinc/09/97/18/623099718.db2.gz BWJAGNYZCQBNKC-DZIBYMRMSA-N 2 0 311.473 3.368 20 30 DGEDRP C#CCCCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876653448 623671313 /nfs/dbraw/zinc/67/13/13/623671313.db2.gz QRBIYWUWAZIUAH-BGYRXZFFSA-N 2 0 319.537 3.061 20 30 DGEDRP C=CCCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000880390317 624949381 /nfs/dbraw/zinc/94/93/81/624949381.db2.gz YDFINHDHZUITQG-FQEVSTJZSA-N 2 0 315.505 3.311 20 30 DGEDRP C=CCC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1Cc2ccccc2O1 ZINC000883180929 625957298 /nfs/dbraw/zinc/95/72/98/625957298.db2.gz OHQZSHAIFMICLF-IEBWSBKVSA-N 2 0 302.462 3.256 20 30 DGEDRP C#CCOc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956818 626262365 /nfs/dbraw/zinc/26/23/65/626262365.db2.gz BKPFUORUHVHPKX-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886605736 627171738 /nfs/dbraw/zinc/17/17/38/627171738.db2.gz XIZWMZYSGRKXOE-BKVYNOPKSA-N 2 0 306.494 3.354 20 30 DGEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]OC2CCC2)CC1 ZINC000812235049 627362827 /nfs/dbraw/zinc/36/28/27/627362827.db2.gz JMHOFPSFFDUFTQ-UHFFFAOYSA-N 2 0 301.434 3.122 20 30 DGEDRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000926753176 627946594 /nfs/dbraw/zinc/94/65/94/627946594.db2.gz FRTSDRIGDMTTGF-YOEHRIQHSA-N 2 0 301.434 3.036 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000817945437 627970800 /nfs/dbraw/zinc/97/08/00/627970800.db2.gz CSAPGJWMEQKXSD-CABCVRRESA-N 2 0 308.853 3.468 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817949624 627971636 /nfs/dbraw/zinc/97/16/36/627971636.db2.gz SNDLKOMYJJRSGN-INIZCTEOSA-N 2 0 308.425 3.051 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]\C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000840707911 630350602 /nfs/dbraw/zinc/35/06/02/630350602.db2.gz BDALNHDBEOBZCB-HJAWVIIPSA-N 2 0 315.461 3.283 20 30 DGEDRP c1cn(CCCN=NC2CCCC[C@@H]2[NH+]2CCCCCC2)cn1 ZINC000848418968 631658511 /nfs/dbraw/zinc/65/85/11/631658511.db2.gz WKEGZDZSYOQNBY-SFHVURJKSA-N 2 0 317.481 3.037 20 30 DGEDRP C=CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849007654 631804801 /nfs/dbraw/zinc/80/48/01/631804801.db2.gz KDRHDIWMCUBZIE-NVXWUHKLSA-N 2 0 302.466 3.052 20 30 DGEDRP CCCCCCCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040127 631815455 /nfs/dbraw/zinc/81/54/55/631815455.db2.gz MOMVAFYMYVCBFY-UHFFFAOYSA-N 2 0 301.438 3.309 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157396462 655822886 /nfs/dbraw/zinc/82/28/86/655822886.db2.gz XYUNBLMTRFIEDV-QGZVFWFLSA-N 2 0 316.493 3.344 20 30 DGEDRP CCCC[N@H+](CCOCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032899 656161678 /nfs/dbraw/zinc/16/16/78/656161678.db2.gz BLVYQGYGGXHMMM-UHFFFAOYSA-N 2 0 309.498 3.328 20 30 DGEDRP CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCCC1 ZINC000262319109 657507672 /nfs/dbraw/zinc/50/76/72/657507672.db2.gz CCAJUCDZHHPLQA-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCCC1 ZINC000303386830 657532497 /nfs/dbraw/zinc/53/24/97/657532497.db2.gz WREYMLMYFYZCBY-QGZVFWFLSA-N 2 0 302.466 3.314 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000303778343 657562784 /nfs/dbraw/zinc/56/27/84/657562784.db2.gz JNTQIQJQFVADAN-MRXNPFEDSA-N 2 0 314.477 3.041 20 30 DGEDRP CCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000303873345 657569489 /nfs/dbraw/zinc/56/94/89/657569489.db2.gz GUECXNZAXMFSSX-UHFFFAOYSA-N 2 0 316.493 3.265 20 30 DGEDRP CC[C@@H](CNC(=[NH2+])Nc1cccc(C(C)C)c1)[NH+]1CCCC1 ZINC000303876113 657569861 /nfs/dbraw/zinc/56/98/61/657569861.db2.gz DQDGMWRLQVQKCM-KRWDZBQOSA-N 2 0 302.466 3.411 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303878974 657570166 /nfs/dbraw/zinc/57/01/66/657570166.db2.gz JKCCWUFEFGAOOU-INIZCTEOSA-N 2 0 302.466 3.150 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303886659 657571533 /nfs/dbraw/zinc/57/15/33/657571533.db2.gz KLWXKCYSGVXWNE-GJZGRUSLSA-N 2 0 302.466 3.239 20 30 DGEDRP C[NH+](C)CCCCCCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303884721 657571722 /nfs/dbraw/zinc/57/17/22/657571722.db2.gz MVHPIKJSYYXARF-UHFFFAOYSA-N 2 0 316.493 3.414 20 30 DGEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303896527 657574905 /nfs/dbraw/zinc/57/49/05/657574905.db2.gz UOUATPBNIVRTIV-INIZCTEOSA-N 2 0 318.465 3.076 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000303902832 657576924 /nfs/dbraw/zinc/57/69/24/657576924.db2.gz UECCAWRZMGWAKS-IAGOWNOFSA-N 2 0 316.493 3.398 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303902928 657577266 /nfs/dbraw/zinc/57/72/66/657577266.db2.gz UIGNKIOTDPHHSK-LSDHHAIUSA-N 2 0 302.466 3.096 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303902831 657577534 /nfs/dbraw/zinc/57/75/34/657577534.db2.gz UECCAWRZMGWAKS-CALCHBBNSA-N 2 0 316.493 3.398 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000304756377 657647100 /nfs/dbraw/zinc/64/71/00/657647100.db2.gz NRECDBFKVZCFNS-HUUCEWRRSA-N 2 0 302.466 3.269 20 30 DGEDRP CCC(CC)(C[NH+]=C(N(C)C)N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000304762397 657650298 /nfs/dbraw/zinc/65/02/98/657650298.db2.gz VQZUWYXZJFJZGJ-INIZCTEOSA-N 2 0 318.509 3.375 20 30 DGEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305034433 657665705 /nfs/dbraw/zinc/66/57/05/657665705.db2.gz RZUNHQWFQARANU-IAGOWNOFSA-N 2 0 310.530 3.083 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262528721 657700567 /nfs/dbraw/zinc/70/05/67/657700567.db2.gz HKZMSMQUUDJXBF-KURKYZTESA-N 2 0 322.541 3.050 20 30 DGEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])N2CCCCCC2)cc1 ZINC000305043698 657714135 /nfs/dbraw/zinc/71/41/35/657714135.db2.gz DRWXPMACZSDDST-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC1CCCCCC1 ZINC000305749636 657999164 /nfs/dbraw/zinc/99/91/64/657999164.db2.gz XRGJUTVCFYWATM-UHFFFAOYSA-N 2 0 308.514 3.270 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000174551233 659440250 /nfs/dbraw/zinc/44/02/50/659440250.db2.gz PXUHMOQXVKWMSN-INIZCTEOSA-N 2 0 315.461 3.189 20 30 DGEDRP C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175010955 659914849 /nfs/dbraw/zinc/91/48/49/659914849.db2.gz YSVVVPXODQADDD-ZWKOTPCHSA-N 2 0 300.446 3.051 20 30 DGEDRP CC(C)(C#N)c1ccccc1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931514011 661484131 /nfs/dbraw/zinc/48/41/31/661484131.db2.gz JKYYLINSCGCDBF-UHFFFAOYSA-N 2 0 306.413 3.023 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043416 662326358 /nfs/dbraw/zinc/32/63/58/662326358.db2.gz ZFHOBNMSGWHPPG-ICSRJNTNSA-N 2 0 312.457 3.005 20 30 DGEDRP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066718 662327442 /nfs/dbraw/zinc/32/74/42/662327442.db2.gz VSTQTLFEEAQTJI-WIYYLYMNSA-N 2 0 324.468 3.147 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC001580066221 1192005791 /nfs/dbraw/zinc/00/57/91/1192005791.db2.gz GPRZLWHLMPQCDD-INIZCTEOSA-N 2 0 315.436 3.299 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001353622833 1180608000 /nfs/dbraw/zinc/60/80/00/1180608000.db2.gz LQSOHUXSUNKNRM-KRWDZBQOSA-N 2 0 323.525 3.057 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001473704847 1183791237 /nfs/dbraw/zinc/79/12/37/1183791237.db2.gz VGJRAXMQPQXZNN-UHFFFAOYSA-N 2 0 311.473 3.483 20 30 DGEDRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCSCC#N)CC1 ZINC001473716564 1183793265 /nfs/dbraw/zinc/79/32/65/1183793265.db2.gz IIKQUKMTRBMMEU-KRWDZBQOSA-N 2 0 309.523 3.220 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H](O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001574901536 1191457668 /nfs/dbraw/zinc/45/76/68/1191457668.db2.gz LKKNIBRGUPBEPH-HUUCEWRRSA-N 2 0 316.367 3.012 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H](O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001574901535 1191457840 /nfs/dbraw/zinc/45/78/40/1191457840.db2.gz LKKNIBRGUPBEPH-GJZGRUSLSA-N 2 0 316.367 3.012 20 30 DGEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001659424517 1196381730 /nfs/dbraw/zinc/38/17/30/1196381730.db2.gz DYEWQOJYQAQNJJ-VQTJNVASSA-N 2 0 316.489 3.478 20 30 DGEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001666938256 1197298922 /nfs/dbraw/zinc/29/89/22/1197298922.db2.gz IUQAUMUDPHLIEK-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000303880997 1199601221 /nfs/dbraw/zinc/60/12/21/1199601221.db2.gz HHFJHEUXFSUXFA-GOSISDBHSA-N 2 0 316.493 3.478 20 30 DGEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001692329995 1201021966 /nfs/dbraw/zinc/02/19/66/1201021966.db2.gz ROFHTGPPXKZZNR-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655376 1081892731 /nfs/dbraw/zinc/89/27/31/1081892731.db2.gz SBZDEGZWXCKVEJ-SQNIBIBYSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608790 1082598640 /nfs/dbraw/zinc/59/86/40/1082598640.db2.gz IRYXYABLHAJVSM-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369718 1083280556 /nfs/dbraw/zinc/28/05/56/1083280556.db2.gz RILFAPYANIRZEN-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750175 1083286220 /nfs/dbraw/zinc/28/62/20/1083286220.db2.gz HDGXMAGFRDPKNZ-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[C@@H](C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001181134263 1083414974 /nfs/dbraw/zinc/41/49/74/1083414974.db2.gz FXZHKJIWILFUMU-OAHLLOKOSA-N 2 0 312.502 3.047 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481710072 1084508608 /nfs/dbraw/zinc/50/86/08/1084508608.db2.gz VOCKSEXNADFJIO-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483338557 1087475341 /nfs/dbraw/zinc/47/53/41/1087475341.db2.gz GGCIQADBEDPRIX-DLBZAZTESA-N 2 0 323.525 3.042 20 30 DGEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164490783 1090432447 /nfs/dbraw/zinc/43/24/47/1090432447.db2.gz ABKQUXSEPJTBFZ-CEXWTWQISA-N 2 0 312.533 3.325 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001204303273 1090944175 /nfs/dbraw/zinc/94/41/75/1090944175.db2.gz DXMFKBIIKVWUMN-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1C[NH3+] ZINC001205141256 1091110743 /nfs/dbraw/zinc/11/07/43/1091110743.db2.gz ZPXKQRVKBTYJOX-DOTOQJQBSA-N 2 0 310.466 3.175 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001139649243 1091634789 /nfs/dbraw/zinc/63/47/89/1091634789.db2.gz UPQIQHOSEORLFT-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973265 1091676328 /nfs/dbraw/zinc/67/63/28/1091676328.db2.gz CUIIEFOQNDTRMB-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001208118986 1092205007 /nfs/dbraw/zinc/20/50/07/1092205007.db2.gz UWJBTTBQVVETJT-ZHACJKMWSA-N 2 0 309.542 3.472 20 30 DGEDRP CC[NH+]1CCC(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001208601239 1092421244 /nfs/dbraw/zinc/42/12/44/1092421244.db2.gz LBQRYYUDIMDOIH-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209631880 1092854719 /nfs/dbraw/zinc/85/47/19/1092854719.db2.gz HPIZMNRAIVSBEV-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183279 1093070363 /nfs/dbraw/zinc/07/03/63/1093070363.db2.gz NADZFLQENIZVFJ-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1O ZINC001276684284 1093170855 /nfs/dbraw/zinc/17/08/55/1093170855.db2.gz APIMXNDHBAAYTA-UHFFFAOYSA-N 2 0 314.473 3.429 20 30 DGEDRP C[NH2+]Cc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001211135923 1093390328 /nfs/dbraw/zinc/39/03/28/1093390328.db2.gz KHMQPUCDUKJYKC-UHFFFAOYSA-N 2 0 312.442 3.071 20 30 DGEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790819 1094290027 /nfs/dbraw/zinc/29/00/27/1094290027.db2.gz IXVJFONKTCKBAQ-HOTGVXAUSA-N 2 0 323.525 3.088 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170785113 1094372127 /nfs/dbraw/zinc/37/21/27/1094372127.db2.gz OIJSSRPRRLRUPS-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081049 1094392364 /nfs/dbraw/zinc/39/23/64/1094392364.db2.gz GFWAKBVPDDNJJL-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315513 1094487251 /nfs/dbraw/zinc/48/72/51/1094487251.db2.gz PCVBBXUIPCBLPH-SJORKVTESA-N 2 0 313.530 3.172 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860687 1094722481 /nfs/dbraw/zinc/72/24/81/1094722481.db2.gz GGZDVIVJSKOICF-IAGOWNOFSA-N 2 0 313.530 3.172 20 30 DGEDRP COC(=O)c1ccc(C(=[NH2+])Nc2cccc(C3=[NH+]CCC3)c2)cc1 ZINC001170989135 1095086506 /nfs/dbraw/zinc/08/65/06/1095086506.db2.gz KQSOLUPEYAGOPY-UHFFFAOYSA-N 2 0 321.380 3.093 20 30 DGEDRP N#CCc1ccccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173027 1095478274 /nfs/dbraw/zinc/47/82/74/1095478274.db2.gz PZMOONSJTGDTFI-FQEVSTJZSA-N 2 0 311.473 3.498 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199147 1095724858 /nfs/dbraw/zinc/72/48/58/1095724858.db2.gz VKEWWZYYTUVJCL-YSSFQJQWSA-N 2 0 311.473 3.471 20 30 DGEDRP Cc1cnccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231405 1095863966 /nfs/dbraw/zinc/86/39/66/1095863966.db2.gz JDZIJDNYGQSBCI-LPHOPBHVSA-N 2 0 321.424 3.346 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146600659 1096070210 /nfs/dbraw/zinc/07/02/10/1096070210.db2.gz HZJJROGJEMUKQN-IAGOWNOFSA-N 2 0 313.530 3.170 20 30 DGEDRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc(Cl)cn2)CC1(C)C ZINC001171622280 1096936045 /nfs/dbraw/zinc/93/60/45/1096936045.db2.gz ZCLKRQAHOLCPCE-UHFFFAOYSA-N 2 0 308.857 3.092 20 30 DGEDRP C[NH+]1C(C)(C)CC([NH2+]CCOc2cccc(C#N)c2)CC1(C)C ZINC001171626007 1096938327 /nfs/dbraw/zinc/93/83/27/1096938327.db2.gz RWKBNRSJLZLDSY-UHFFFAOYSA-N 2 0 315.461 3.178 20 30 DGEDRP SCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063571 1097042945 /nfs/dbraw/zinc/04/29/45/1097042945.db2.gz ASNGAIBRKJRXAR-NNZMDNLPSA-N 2 0 304.503 3.482 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001172299564 1097109686 /nfs/dbraw/zinc/10/96/86/1097109686.db2.gz LPKGPLRNSSVNKH-AWEZNQCLSA-N 2 0 304.397 3.213 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001172349502 1097121707 /nfs/dbraw/zinc/12/17/07/1097121707.db2.gz DJECESUTIHKZBA-MLHJIOFPSA-N 2 0 314.514 3.440 20 30 DGEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172491674 1097167915 /nfs/dbraw/zinc/16/79/15/1097167915.db2.gz IOPYGQRILYZXIZ-OAHLLOKOSA-N 2 0 303.425 3.244 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001172508026 1097174096 /nfs/dbraw/zinc/17/40/96/1097174096.db2.gz FBFIEOFDEDACTM-IRXDYDNUSA-N 2 0 313.530 3.349 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175571669 1098100211 /nfs/dbraw/zinc/10/02/11/1098100211.db2.gz DPTLYAWXSYBHOP-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629067 1098395585 /nfs/dbraw/zinc/39/55/85/1098395585.db2.gz RIQLYHUWLQEFSX-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760461 1098434980 /nfs/dbraw/zinc/43/49/80/1098434980.db2.gz XKYPQFVWKSANLM-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760459 1098435126 /nfs/dbraw/zinc/43/51/26/1098435126.db2.gz XKYPQFVWKSANLM-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178471840 1098842977 /nfs/dbraw/zinc/84/29/77/1098842977.db2.gz KVEIDWLYUUFXOG-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235227838 1098901176 /nfs/dbraw/zinc/90/11/76/1098901176.db2.gz JFHHZDSGMUFSBR-LJQANCHMSA-N 2 0 322.456 3.394 20 30 DGEDRP N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428501 1099022753 /nfs/dbraw/zinc/02/27/53/1099022753.db2.gz QKBSOAMUCGHGBX-LSDHHAIUSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428496 1099022895 /nfs/dbraw/zinc/02/28/95/1099022895.db2.gz QKBSOAMUCGHGBX-GJZGRUSLSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430754 1099025344 /nfs/dbraw/zinc/02/53/44/1099025344.db2.gz XTYASOUMMJKWPY-JKSUJKDBSA-N 2 0 317.864 3.423 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430620 1099025708 /nfs/dbraw/zinc/02/57/08/1099025708.db2.gz JUZKYGUKVIBXHR-RTBURBONSA-N 2 0 311.473 3.332 20 30 DGEDRP C(#Cc1ccc(CN2CCCC3(C[NH2+]C3)C2)cc1)c1ccccc1 ZINC001235710614 1099139582 /nfs/dbraw/zinc/13/95/82/1099139582.db2.gz CGPNZRSMKZIZTJ-UHFFFAOYSA-N 2 0 316.448 3.272 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235790037 1099179763 /nfs/dbraw/zinc/17/97/63/1099179763.db2.gz ZDLWEGLBNSJONG-HXUWFJFHSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235790034 1099180285 /nfs/dbraw/zinc/18/02/85/1099180285.db2.gz ZDLWEGLBNSJONG-FQEVSTJZSA-N 2 0 311.473 3.202 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1)c1ccccc1 ZINC001235935194 1099268381 /nfs/dbraw/zinc/26/83/81/1099268381.db2.gz CWHBDLJYQWUIBW-YADHBBJMSA-N 2 0 316.448 3.128 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001235937571 1099272591 /nfs/dbraw/zinc/27/25/91/1099272591.db2.gz IYYCOIFVHXLAMM-FCHUYYIVSA-N 2 0 316.448 3.128 20 30 DGEDRP C#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235974486 1099303245 /nfs/dbraw/zinc/30/32/45/1099303245.db2.gz QLSMOPAZLWCSOP-UHFFFAOYSA-N 2 0 316.448 3.305 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294648 1099375592 /nfs/dbraw/zinc/37/55/92/1099375592.db2.gz PTQSZQMOBJIMDL-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352034 1099380730 /nfs/dbraw/zinc/38/07/30/1099380730.db2.gz MLHYMRLXWFBDRP-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236517148 1099655989 /nfs/dbraw/zinc/65/59/89/1099655989.db2.gz PXIGMPZHOGJAER-UHFFFAOYSA-N 2 0 306.425 3.355 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236549828 1099675825 /nfs/dbraw/zinc/67/58/25/1099675825.db2.gz DAFDWGXRCRQCMW-WGSAOQKQSA-N 2 0 314.473 3.427 20 30 DGEDRP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472923 1100135270 /nfs/dbraw/zinc/13/52/70/1100135270.db2.gz OVQSUTINCFGOIX-UHFFFAOYSA-N 2 0 312.461 3.214 20 30 DGEDRP COc1cccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1C#N ZINC001242301762 1102040882 /nfs/dbraw/zinc/04/08/82/1102040882.db2.gz YYIMCEZDFXPCHM-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP N#Cc1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)ccc1O ZINC001242566488 1102213987 /nfs/dbraw/zinc/21/39/87/1102213987.db2.gz BSQUXNOLZDYXPX-UHFFFAOYSA-N 2 0 321.424 3.102 20 30 DGEDRP C[C@@H]1CC(=O)C=C(c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)C1 ZINC001242744088 1102321837 /nfs/dbraw/zinc/32/18/37/1102321837.db2.gz HUOOCNFBLPADAB-HNNXBMFYSA-N 2 0 312.457 3.240 20 30 DGEDRP CCCCCCC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037641 1102479408 /nfs/dbraw/zinc/47/94/08/1102479408.db2.gz NEIVMZVVCIMJGZ-UHFFFAOYSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001201814731 1102731368 /nfs/dbraw/zinc/73/13/68/1102731368.db2.gz SEZPEVFGPWPXJQ-UHFFFAOYSA-N 2 0 323.525 3.023 20 30 DGEDRP N#CCOc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC001243593119 1102835492 /nfs/dbraw/zinc/83/54/92/1102835492.db2.gz BMADYWZDKWEQHS-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP CCCCCCC[C@@H](C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001258049865 1103123997 /nfs/dbraw/zinc/12/39/97/1103123997.db2.gz PZKZJHDIPYTZSL-LJQANCHMSA-N 2 0 309.542 3.449 20 30 DGEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202474215 1103324639 /nfs/dbraw/zinc/32/46/39/1103324639.db2.gz XGNJBCFMXOUHTQ-WMZOPIPTSA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001245982725 1104345366 /nfs/dbraw/zinc/34/53/66/1104345366.db2.gz JKJXFWDGBRXVLL-RDGPPVDQSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001245978152 1104346211 /nfs/dbraw/zinc/34/62/11/1104346211.db2.gz JKJXFWDGBRXVLL-MANSERQUSA-N 2 0 310.526 3.466 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245985528 1104347926 /nfs/dbraw/zinc/34/79/26/1104347926.db2.gz RAOSLFDKDMTPRO-AKHDSKFASA-N 2 0 308.510 3.099 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246026882 1104355122 /nfs/dbraw/zinc/35/51/22/1104355122.db2.gz VPDUFNWMRGEKAS-RTBURBONSA-N 2 0 308.510 3.340 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246025433 1104355528 /nfs/dbraw/zinc/35/55/28/1104355528.db2.gz YJNDAAWPTFUFBN-DLBZAZTESA-N 2 0 300.462 3.027 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]CC[C@H]3C[NH2+]Cc4cccn4C3)C[C@H](C1)C2 ZINC001246143897 1104404548 /nfs/dbraw/zinc/40/45/48/1104404548.db2.gz WIQGKENTNUITSU-HTUJPFKRSA-N 2 0 313.489 3.322 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246199938 1104434584 /nfs/dbraw/zinc/43/45/84/1104434584.db2.gz OGEOSECQYJCWDZ-VNCLNFNDSA-N 2 0 315.436 3.119 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH2+]CCOCCOCC[NH3+] ZINC001246286461 1104475426 /nfs/dbraw/zinc/47/54/26/1104475426.db2.gz YSMDHBFPAHZBJU-QGZVFWFLSA-N 2 0 302.503 3.097 20 30 DGEDRP CC[C@H]1CC(n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@H](CC)[NH2+]1 ZINC001246327844 1104491099 /nfs/dbraw/zinc/49/10/99/1104491099.db2.gz UWAVEZBZRZAKAQ-IRXDYDNUSA-N 2 0 324.472 3.496 20 30 DGEDRP CCCC[C@@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327920 1104493289 /nfs/dbraw/zinc/49/32/89/1104493289.db2.gz KFZFXVSOVILAPJ-QZTJIDSGSA-N 2 0 315.461 3.228 20 30 DGEDRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329538 1104493457 /nfs/dbraw/zinc/49/34/57/1104493457.db2.gz QKLNIKMGZVQVIE-SJLPKXTDSA-N 2 0 315.461 3.083 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001246413915 1104532773 /nfs/dbraw/zinc/53/27/73/1104532773.db2.gz GLRDYKSKJNIJQV-MRXNPFEDSA-N 2 0 302.462 3.261 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246419937 1104534878 /nfs/dbraw/zinc/53/48/78/1104534878.db2.gz UOYDHHZZEWRPOM-MRXNPFEDSA-N 2 0 302.462 3.261 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001274974403 1104563784 /nfs/dbraw/zinc/56/37/84/1104563784.db2.gz JLWNXFOENHHQHV-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3CCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246651057 1104648094 /nfs/dbraw/zinc/64/80/94/1104648094.db2.gz WAJUDGWCYMVSDX-SOAGJPPSSA-N 2 0 309.457 3.412 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768720 1104667148 /nfs/dbraw/zinc/66/71/48/1104667148.db2.gz GVLQLWAYDPOPHW-RTWAWAEBSA-N 2 0 319.452 3.353 20 30 DGEDRP C=C1C[C@@H]2CC([N@H+](CCCOC)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246835625 1104697219 /nfs/dbraw/zinc/69/72/19/1104697219.db2.gz KLQNYGHUCXRMTF-JJTKIYQPSA-N 2 0 306.494 3.212 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673743 1106131090 /nfs/dbraw/zinc/13/10/90/1106131090.db2.gz OFHICNDNPFVDSC-WTGUMLROSA-N 2 0 309.457 3.133 20 30 DGEDRP N#CC1CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001256962006 1106516233 /nfs/dbraw/zinc/51/62/33/1106516233.db2.gz AYGVMUYZRVCJQN-UHFFFAOYSA-N 2 0 315.436 3.244 20 30 DGEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257019188 1106524557 /nfs/dbraw/zinc/52/45/57/1106524557.db2.gz JYMHYJUFWHZELA-GOLJUSPKSA-N 2 0 323.484 3.468 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258040481 1106663111 /nfs/dbraw/zinc/66/31/11/1106663111.db2.gz DMFYFHYNLCRIRF-QBPKDAKJSA-N 2 0 300.487 3.050 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258040483 1106663145 /nfs/dbraw/zinc/66/31/45/1106663145.db2.gz DMFYFHYNLCRIRF-YLFCFFPRSA-N 2 0 300.487 3.050 20 30 DGEDRP C=CCC[C@H](C)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001258727366 1106932007 /nfs/dbraw/zinc/93/20/07/1106932007.db2.gz FGQLXQCYJWVXRL-KRWDZBQOSA-N 2 0 316.493 3.082 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001258728107 1106933860 /nfs/dbraw/zinc/93/38/60/1106933860.db2.gz LHOMBOBQIXTILK-QXAKKESOSA-N 2 0 306.494 3.021 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001261672825 1107500505 /nfs/dbraw/zinc/50/05/05/1107500505.db2.gz DNFPDZXKBVKIRW-PELRDEGISA-N 2 0 323.484 3.322 20 30 DGEDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181524670 199311276 /nfs/dbraw/zinc/31/12/76/199311276.db2.gz DHVDIAOIUUYEFW-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP N#CC1(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000375596354 283044064 /nfs/dbraw/zinc/04/40/64/283044064.db2.gz JWOGMDVNPFSXKA-GOSISDBHSA-N 2 0 319.493 3.037 20 30 DGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442786399 239124019 /nfs/dbraw/zinc/12/40/19/239124019.db2.gz XGJICVFROIMBEF-LHDHZVESSA-N 2 0 311.473 3.425 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000442798330 239127907 /nfs/dbraw/zinc/12/79/07/239127907.db2.gz WKIIKSBVLYINEG-CVEARBPZSA-N 2 0 303.475 3.242 20 30 DGEDRP N#CC[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621089 400210325 /nfs/dbraw/zinc/21/03/25/400210325.db2.gz SYQMWFQPSWFDIM-OALUTQOASA-N 2 0 316.493 3.408 20 30 DGEDRP C[C@@H]([NH2+]CCSCc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000610804906 400309251 /nfs/dbraw/zinc/30/92/51/400309251.db2.gz YSXXUYHRLIWXCO-OAHLLOKOSA-N 2 0 317.502 3.111 20 30 DGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000596097494 400317830 /nfs/dbraw/zinc/31/78/30/400317830.db2.gz YCAOIVITJQTIEY-YLJYHZDGSA-N 2 0 309.457 3.257 20 30 DGEDRP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)CC1(C)C ZINC000598953552 400911365 /nfs/dbraw/zinc/91/13/65/400911365.db2.gz YHPDKCGSCJDNRQ-KRWDZBQOSA-N 2 0 317.502 3.254 20 30 DGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(C#N)c1 ZINC000599661402 401106359 /nfs/dbraw/zinc/10/63/59/401106359.db2.gz VFVXVXFPGPVLEL-UHFFFAOYSA-N 2 0 308.429 3.037 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000249485980 286062633 /nfs/dbraw/zinc/06/26/33/286062633.db2.gz YFPJQEOSCMBXGQ-IRXDYDNUSA-N 2 0 309.498 3.043 20 30 DGEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000190707147 432184142 /nfs/dbraw/zinc/18/41/42/432184142.db2.gz ACDUPCXKWJATBY-UHFFFAOYSA-N 2 0 322.456 3.172 20 30 DGEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000174842061 228294255 /nfs/dbraw/zinc/29/42/55/228294255.db2.gz GSEJISSLTZUCQY-CALCHBBNSA-N 2 0 321.509 3.138 20 30 DGEDRP N#CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000342724111 229117405 /nfs/dbraw/zinc/11/74/05/229117405.db2.gz DIIXINRUXDWBKS-UYAOXDASSA-N 2 0 309.457 3.201 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360838655 268219296 /nfs/dbraw/zinc/21/92/96/268219296.db2.gz VCAGZTGTUCAQGU-OXJNMPFZSA-N 2 0 309.457 3.400 20 30 DGEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CC1 ZINC000262311025 275941486 /nfs/dbraw/zinc/94/14/86/275941486.db2.gz PAJGADHOROPZMI-AWEZNQCLSA-N 2 0 322.522 3.224 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000108428594 431142303 /nfs/dbraw/zinc/14/23/03/431142303.db2.gz GOUYEMGERCMBNT-KRWDZBQOSA-N 2 0 318.461 3.082 20 30 DGEDRP C[N@H+](CCCCC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820895 431912073 /nfs/dbraw/zinc/91/20/73/431912073.db2.gz UBGRRLZYQIECEJ-UHFFFAOYSA-N 2 0 300.450 3.314 20 30 DGEDRP C[N@@H+](Cc1cccc(OCCCC#N)c1)CC1CC[NH+](C)CC1 ZINC000093088859 431913604 /nfs/dbraw/zinc/91/36/04/431913604.db2.gz RUSBESAVAUHGMQ-UHFFFAOYSA-N 2 0 315.461 3.143 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248412914 432286555 /nfs/dbraw/zinc/28/65/55/432286555.db2.gz KHLYYCYRZUPELZ-VAMGGRTRSA-N 2 0 314.473 3.079 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000153010053 432375048 /nfs/dbraw/zinc/37/50/48/432375048.db2.gz QWRDYCYDMFHAKT-QRQCRPRQSA-N 2 0 320.502 3.115 20 30 DGEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008085 432389254 /nfs/dbraw/zinc/38/92/54/432389254.db2.gz RPDLHZGHYOXOFT-ZWKOTPCHSA-N 2 0 315.461 3.332 20 30 DGEDRP C=CCSCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271483584 432405421 /nfs/dbraw/zinc/40/54/21/432405421.db2.gz NVNVHYCGMDCLAY-HNNXBMFYSA-N 2 0 308.491 3.197 20 30 DGEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000175990793 432483536 /nfs/dbraw/zinc/48/35/36/432483536.db2.gz CPJJMOZVDCTPFP-UHFFFAOYSA-N 2 0 305.491 3.467 20 30 DGEDRP C=CCCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000193323671 432465600 /nfs/dbraw/zinc/46/56/00/432465600.db2.gz KJWYRJROJXBOLN-OALUTQOASA-N 2 0 307.526 3.223 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)[C@H](C)C1 ZINC000177821602 432664242 /nfs/dbraw/zinc/66/42/42/432664242.db2.gz CMKZGPHQIKXLKR-CRAIPNDOSA-N 2 0 317.502 3.111 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178254870 432712396 /nfs/dbraw/zinc/71/23/96/432712396.db2.gz QNRKWIOVMMTWAB-MRXNPFEDSA-N 2 0 312.457 3.224 20 30 DGEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000267432899 432834538 /nfs/dbraw/zinc/83/45/38/432834538.db2.gz MYEWYGBWYYQSEC-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288709401 432896113 /nfs/dbraw/zinc/89/61/13/432896113.db2.gz KTKCMSIEEZLNPV-ZDUSSCGKSA-N 2 0 324.419 3.346 20 30 DGEDRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000281804681 433388636 /nfs/dbraw/zinc/38/86/36/433388636.db2.gz VNSOWNFXQBYRCM-MRXNPFEDSA-N 2 0 315.461 3.169 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422558473 433919219 /nfs/dbraw/zinc/91/92/19/433919219.db2.gz ATBHHZCMHXZNGN-ZOBUZTSGSA-N 2 0 318.461 3.065 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423440845 434423214 /nfs/dbraw/zinc/42/32/14/434423214.db2.gz OZWBJSOQKNMIJW-RKDVLTNBSA-N 2 0 323.484 3.368 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000367199193 434543726 /nfs/dbraw/zinc/54/37/26/434543726.db2.gz IQOHNJMRYLDTOB-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C[C@H](CCN1CCC(C)(C#N)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408159916 434548792 /nfs/dbraw/zinc/54/87/92/434548792.db2.gz SGOVWLXDNOOMKF-MRXNPFEDSA-N 2 0 302.466 3.016 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424321628 434695689 /nfs/dbraw/zinc/69/56/89/434695689.db2.gz HIFBTVAIJWBIBD-LCWAXJCOSA-N 2 0 309.457 3.179 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411792213 434830864 /nfs/dbraw/zinc/83/08/64/434830864.db2.gz QUENUOGQWFMGGT-MOPGFXCFSA-N 2 0 300.446 3.106 20 30 DGEDRP C=CCCCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000556226598 434999699 /nfs/dbraw/zinc/99/96/99/434999699.db2.gz PBFQUUSWYPGWEA-UHFFFAOYSA-N 2 0 315.505 3.092 20 30 DGEDRP COc1ccc(C#N)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533469147 435237982 /nfs/dbraw/zinc/23/79/82/435237982.db2.gz XVEXGLCXUJXNOJ-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC3(C#N)CC3)C2)s1 ZINC000515488311 435485340 /nfs/dbraw/zinc/48/53/40/435485340.db2.gz QPZVGYZQZUWUDL-HNNXBMFYSA-N 2 0 303.475 3.114 20 30 DGEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC[NH+](C)C)cc1 ZINC000570408913 435618040 /nfs/dbraw/zinc/61/80/40/435618040.db2.gz AYGQSFPTNYEPLE-UHFFFAOYSA-N 2 0 310.445 3.114 20 30 DGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661114994 435969959 /nfs/dbraw/zinc/96/99/59/435969959.db2.gz NYXHCXXQFMSXJQ-RTBURBONSA-N 2 0 307.526 3.127 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415005801 526889875 /nfs/dbraw/zinc/88/98/75/526889875.db2.gz JTYCAJGDHWTBSR-DOTOQJQBSA-N 2 0 320.864 3.383 20 30 DGEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000174346544 526998842 /nfs/dbraw/zinc/99/88/42/526998842.db2.gz XZSXLAVYVOJGNF-IBGZPJMESA-N 2 0 313.489 3.471 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073665 545999850 /nfs/dbraw/zinc/99/98/50/545999850.db2.gz RKAOSSXTWYAIAN-PKOBYXMFSA-N 2 0 307.526 3.005 20 30 DGEDRP C=C(C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000675783823 548270949 /nfs/dbraw/zinc/27/09/49/548270949.db2.gz UBJNZJSRJSUULW-UYAOXDASSA-N 2 0 316.489 3.426 20 30 DGEDRP C#CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000733322819 574615384 /nfs/dbraw/zinc/61/53/84/574615384.db2.gz FLJAFJDEVBWDLV-FQEVSTJZSA-N 2 0 320.436 3.063 20 30 DGEDRP C#CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000733322824 574615583 /nfs/dbraw/zinc/61/55/83/574615583.db2.gz FLJAFJDEVBWDLV-HXUWFJFHSA-N 2 0 320.436 3.063 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924937572 618744529 /nfs/dbraw/zinc/74/45/29/618744529.db2.gz DOWLVXDIPLOFHD-IEBWSBKVSA-N 2 0 313.489 3.469 20 30 DGEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000902362743 619627398 /nfs/dbraw/zinc/62/73/98/619627398.db2.gz ZFEDVDGMSOOTAI-QGZVFWFLSA-N 2 0 317.502 3.159 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361908 619627482 /nfs/dbraw/zinc/62/74/82/619627482.db2.gz OCNXSPHWQWNYRH-IAGOWNOFSA-N 2 0 315.461 3.235 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504562 619644184 /nfs/dbraw/zinc/64/41/84/619644184.db2.gz OKELYDIVMCMTFU-MRHSLFKSSA-N 2 0 300.446 3.433 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(Cl)c1 ZINC000903150762 619729273 /nfs/dbraw/zinc/72/92/73/619729273.db2.gz BRQBTOFTWVKPQU-SJORKVTESA-N 2 0 308.853 3.004 20 30 DGEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000903253709 619745324 /nfs/dbraw/zinc/74/53/24/619745324.db2.gz ORQIXGJTRANHNP-DMKPSLHHSA-N 2 0 312.461 3.401 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000903761530 619809081 /nfs/dbraw/zinc/80/90/81/619809081.db2.gz VPIRUVFFWMWCHX-MSOLQXFVSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CCC1 ZINC000903769042 619810281 /nfs/dbraw/zinc/81/02/81/619810281.db2.gz YEBDYCYSWVGWBE-KURKYZTESA-N 2 0 319.493 3.211 20 30 DGEDRP C#CCCCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000150730726 620388208 /nfs/dbraw/zinc/38/82/08/620388208.db2.gz YJTSAWCGHOZXBR-UHFFFAOYSA-N 2 0 300.446 3.054 20 30 DGEDRP N#Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000921961503 620973815 /nfs/dbraw/zinc/97/38/15/620973815.db2.gz PPTSNFAPHICVLX-UHFFFAOYSA-N 2 0 312.442 3.021 20 30 DGEDRP CC(C)(C)[C@]1(C=[NH+]n2cnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000857206359 621068341 /nfs/dbraw/zinc/06/83/41/621068341.db2.gz MMRUDMGMHFCORF-SFHVURJKSA-N 2 0 311.433 3.050 20 30 DGEDRP N#CC1CCC(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923506354 621189831 /nfs/dbraw/zinc/18/98/31/621189831.db2.gz JWQZZYHZHKKSFB-ABHNRTSZSA-N 2 0 303.494 3.418 20 30 DGEDRP C#CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000756995293 621677938 /nfs/dbraw/zinc/67/79/38/621677938.db2.gz FWVSNLYKTDIZEA-NRFANRHFSA-N 2 0 322.452 3.481 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000765768592 622285811 /nfs/dbraw/zinc/28/58/11/622285811.db2.gz IOBNBPRKVBVVJF-MRXNPFEDSA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCC)CC2)cc1 ZINC000765770094 622286043 /nfs/dbraw/zinc/28/60/43/622286043.db2.gz WGDNVRFJZWDLIZ-QGZVFWFLSA-N 2 0 314.473 3.471 20 30 DGEDRP C#CCOc1ccccc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000768301976 622449409 /nfs/dbraw/zinc/44/94/09/622449409.db2.gz FUXSFKFGRGIZOM-UHFFFAOYSA-N 2 0 314.473 3.252 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155986 622837329 /nfs/dbraw/zinc/83/73/29/622837329.db2.gz BXDBSGAMXKHWMM-RDTXWAMCSA-N 2 0 301.434 3.271 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294119 623106331 /nfs/dbraw/zinc/10/63/31/623106331.db2.gz SUHBIXVUQDOIGQ-JKSUJKDBSA-N 2 0 304.434 3.035 20 30 DGEDRP C#CCCCCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000877595941 623956720 /nfs/dbraw/zinc/95/67/20/623956720.db2.gz JVIMJQWWISOBHB-UHFFFAOYSA-N 2 0 319.537 3.062 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000883167535 625951073 /nfs/dbraw/zinc/95/10/73/625951073.db2.gz AJKWLPYXLRYIQM-MOPGFXCFSA-N 2 0 302.462 3.352 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000883236925 626618935 /nfs/dbraw/zinc/61/89/35/626618935.db2.gz NFXWRJIPAAPRFE-OALUTQOASA-N 2 0 306.494 3.212 20 30 DGEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000883391481 626671141 /nfs/dbraw/zinc/67/11/41/626671141.db2.gz LLPMXWDBKBCHMO-WTGUMLROSA-N 2 0 314.473 3.099 20 30 DGEDRP C=C(C)C[C@@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000883391995 626671324 /nfs/dbraw/zinc/67/13/24/626671324.db2.gz XXIJXXUSXGUDDG-GPJFCIFZSA-N 2 0 316.489 3.346 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886646843 627179328 /nfs/dbraw/zinc/17/93/28/627179328.db2.gz VCVUWNKUHSQPGE-IYWMVGAKSA-N 2 0 309.457 3.133 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000886689864 627191125 /nfs/dbraw/zinc/19/11/25/627191125.db2.gz JFIFDMLMIOAKFH-BBWFWOEESA-N 2 0 315.486 3.243 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1Cl ZINC000925666980 627774269 /nfs/dbraw/zinc/77/42/69/627774269.db2.gz SOAUZIVVACANCK-AEFFLSMTSA-N 2 0 317.864 3.470 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779296 627793691 /nfs/dbraw/zinc/79/36/91/627793691.db2.gz WOEFPMOZYZRQNF-NVXWUHKLSA-N 2 0 319.399 3.160 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000817967687 627977962 /nfs/dbraw/zinc/97/79/62/627977962.db2.gz KXOULKSIGDKPFQ-CQSZACIVSA-N 2 0 306.837 3.388 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000817982375 627983768 /nfs/dbraw/zinc/98/37/68/627983768.db2.gz CXCKRMDRQSLVIX-VIQWUECVSA-N 2 0 307.526 3.317 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000827805809 628993262 /nfs/dbraw/zinc/99/32/62/628993262.db2.gz KTKVKAIMMRSZPE-UHFFFAOYSA-N 2 0 307.441 3.294 20 30 DGEDRP C#CC[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805208 629195543 /nfs/dbraw/zinc/19/55/43/629195543.db2.gz QZUHBGJJJZHNIW-WOJBJXKFSA-N 2 0 300.490 3.237 20 30 DGEDRP C#CC[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829803986 629195696 /nfs/dbraw/zinc/19/56/96/629195696.db2.gz DFPOJZZLQQHTGH-WOJBJXKFSA-N 2 0 300.490 3.093 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000834908660 629806031 /nfs/dbraw/zinc/80/60/31/629806031.db2.gz GKWAIAUYUFZOOL-INIZCTEOSA-N 2 0 300.446 3.224 20 30 DGEDRP CCC(CC)[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+](C)C ZINC000849055692 631821160 /nfs/dbraw/zinc/82/11/60/631821160.db2.gz YWKLHYHISIBXCA-GOSISDBHSA-N 2 0 318.509 3.060 20 30 DGEDRP CC[N@H+](CC[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849074690 631827721 /nfs/dbraw/zinc/82/77/21/631827721.db2.gz LKQWJZJWCSMYNN-UHFFFAOYSA-N 2 0 314.477 3.425 20 30 DGEDRP C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C[NH+](C)C ZINC000849102298 631835864 /nfs/dbraw/zinc/83/58/64/631835864.db2.gz DSEIGPPVGJDCTR-MRXNPFEDSA-N 2 0 302.466 3.138 20 30 DGEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793540376 661043914 /nfs/dbraw/zinc/04/39/14/661043914.db2.gz JLPGKDKICQROAW-QZTJIDSGSA-N 2 0 307.526 3.270 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303262440 657526160 /nfs/dbraw/zinc/52/61/60/657526160.db2.gz PTWAUUUSBLHWIM-JKSUJKDBSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000303712042 657557411 /nfs/dbraw/zinc/55/74/11/657557411.db2.gz PRKNFZDCIIDURU-PBHICJAKSA-N 2 0 302.466 3.411 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303769838 657561185 /nfs/dbraw/zinc/56/11/85/657561185.db2.gz BFDAPHSAKUTRDU-MRXNPFEDSA-N 2 0 316.493 3.218 20 30 DGEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+](C)C ZINC000303783254 657561857 /nfs/dbraw/zinc/56/18/57/657561857.db2.gz ODPYDEQASYGIIA-SFHVURJKSA-N 2 0 316.493 3.268 20 30 DGEDRP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000303788847 657563587 /nfs/dbraw/zinc/56/35/87/657563587.db2.gz UVHCEALOWCZZKI-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000303785938 657564249 /nfs/dbraw/zinc/56/42/49/657564249.db2.gz QVLRRMZCSAKHQP-HNNXBMFYSA-N 2 0 316.493 3.264 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[NH+]2CCCC2)cc1 ZINC000303787758 657564314 /nfs/dbraw/zinc/56/43/14/657564314.db2.gz STKQBDMIIQIUED-OAHLLOKOSA-N 2 0 302.466 3.413 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000303883845 657571627 /nfs/dbraw/zinc/57/16/27/657571627.db2.gz MJFHJTLLKGCYRD-INIZCTEOSA-N 2 0 302.466 3.096 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCN2CCc3ccccc3C2)c1 ZINC000303885595 657572095 /nfs/dbraw/zinc/57/20/95/657572095.db2.gz JVCUUMBAAWPOII-UHFFFAOYSA-N 2 0 322.456 3.034 20 30 DGEDRP CCNC(NCc1ccccc1C[NH+]1CCCCCC1)=[NH+]CC ZINC000304084005 657599166 /nfs/dbraw/zinc/59/91/66/657599166.db2.gz ZGDXQNONIWFUKG-UHFFFAOYSA-N 2 0 316.493 3.138 20 30 DGEDRP CC[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCCC1 ZINC000304708740 657644452 /nfs/dbraw/zinc/64/44/52/657644452.db2.gz XTBNRLLHWMKSMT-MRXNPFEDSA-N 2 0 314.477 3.166 20 30 DGEDRP C[C@@H](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCCC1 ZINC000305829417 657737014 /nfs/dbraw/zinc/73/70/14/657737014.db2.gz SPWGTWIIQSOOIX-HNNXBMFYSA-N 2 0 314.477 3.166 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237370913 658376762 /nfs/dbraw/zinc/37/67/62/658376762.db2.gz SBZAQXBTWJLXRE-DLBZAZTESA-N 2 0 315.461 3.189 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246877028 662288348 /nfs/dbraw/zinc/28/83/48/662288348.db2.gz DEXGOOWMOSWOIJ-CGTJXYLNSA-N 2 0 300.446 3.222 20 30 DGEDRP Clc1ccc(C#CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001579938007 1191999915 /nfs/dbraw/zinc/99/99/15/1191999915.db2.gz KOTXYDGUPYUHLW-IRXDYDNUSA-N 2 0 302.849 3.013 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001691636706 1177402233 /nfs/dbraw/zinc/40/22/33/1177402233.db2.gz LENXZVAWZURWDW-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCOc1cccc(C[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC001574947651 1191459642 /nfs/dbraw/zinc/45/96/42/1191459642.db2.gz JFZMIIFZNLZDGN-TYKWCNGQSA-N 2 0 322.452 3.400 20 30 DGEDRP C[N@@H+]1C[C@]23C[NH+](CC4CCC(C#N)CC4)C[C@@]2(C1)CCCC3 ZINC001648660201 1195319235 /nfs/dbraw/zinc/31/92/35/1195319235.db2.gz KGMHTQSDMOVJRQ-YHFFBGSDSA-N 2 0 301.478 3.124 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001652179266 1195559315 /nfs/dbraw/zinc/55/93/15/1195559315.db2.gz NFGJJCGSLNUXIA-RTBURBONSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001655317345 1195902867 /nfs/dbraw/zinc/90/28/67/1195902867.db2.gz LEIWHNXUVPQFAO-AEFFLSMTSA-N 2 0 302.462 3.461 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001657522617 1196151458 /nfs/dbraw/zinc/15/14/58/1196151458.db2.gz IFQXWLUMARQDDZ-APWZRJJASA-N 2 0 302.462 3.088 20 30 DGEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001657908682 1196192403 /nfs/dbraw/zinc/19/24/03/1196192403.db2.gz MPPGHKIHVZIDQA-GOSISDBHSA-N 2 0 324.509 3.184 20 30 DGEDRP C=CCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC001658099303 1196211554 /nfs/dbraw/zinc/21/15/54/1196211554.db2.gz VDEFBNYZCIMGPV-UHFFFAOYSA-N 2 0 323.396 3.198 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001665512871 1197146811 /nfs/dbraw/zinc/14/68/11/1197146811.db2.gz VOCKSEXNADFJIO-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000303865684 1199601686 /nfs/dbraw/zinc/60/16/86/1199601686.db2.gz BSUYAICMKSCMSL-YJBOKZPZSA-N 2 0 302.466 3.232 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001755020977 1200583492 /nfs/dbraw/zinc/58/34/92/1200583492.db2.gz NVZHUKNOYFRHOO-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001209438317 1081752581 /nfs/dbraw/zinc/75/25/81/1081752581.db2.gz JPCSCRGEQYZKCL-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398100 1082361550 /nfs/dbraw/zinc/36/15/50/1082361550.db2.gz LUXZBBNGIJVPAW-FWGXRIOKSA-N 2 0 323.484 3.274 20 30 DGEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410936 1082905048 /nfs/dbraw/zinc/90/50/48/1082905048.db2.gz PYWHOXNKPFLFEW-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132440439 1082910436 /nfs/dbraw/zinc/91/04/36/1082910436.db2.gz AJWCPKYLSUQGTN-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140757194 1082975970 /nfs/dbraw/zinc/97/59/70/1082975970.db2.gz WOFNLQQUNIPQTD-UHFFFAOYSA-N 2 0 319.399 3.144 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001134736324 1083325903 /nfs/dbraw/zinc/32/59/03/1083325903.db2.gz CKCZRYUZIKKALL-KGLIPLIRSA-N 2 0 314.433 3.016 20 30 DGEDRP C[NH+]1CCC(CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001207486666 1083525345 /nfs/dbraw/zinc/52/53/45/1083525345.db2.gz ABUQCMGONJLHLC-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP C#CCCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001183532160 1083971863 /nfs/dbraw/zinc/97/18/63/1083971863.db2.gz BFSJTMIGUNPJHI-UHFFFAOYSA-N 2 0 313.489 3.112 20 30 DGEDRP N#CC1(c2ccc(NC(=[NH2+])NCCCC[NH3+])cc2)CCCCC1 ZINC001167881512 1084381922 /nfs/dbraw/zinc/38/19/22/1084381922.db2.gz HWLDZCYEHVHMLV-UHFFFAOYSA-N 2 0 313.449 3.087 20 30 DGEDRP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483338560 1087475536 /nfs/dbraw/zinc/47/55/36/1087475536.db2.gz GGCIQADBEDPRIX-SJORKVTESA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156306396 1089472526 /nfs/dbraw/zinc/47/25/26/1089472526.db2.gz QPSOTYVOFOQGTO-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156306666 1089472716 /nfs/dbraw/zinc/47/27/16/1089472716.db2.gz URMBBZKEBJDVGY-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@H+](CCc1ccccc1)Cc1ccnn1-c1cc[nH+]cc1 ZINC001204897940 1091058891 /nfs/dbraw/zinc/05/88/91/1091058891.db2.gz AHINIRYETGCCOI-UHFFFAOYSA-N 2 0 318.424 3.498 20 30 DGEDRP [NH3+]CC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205033562 1091088119 /nfs/dbraw/zinc/08/81/19/1091088119.db2.gz JOBMAPMCCUEKLP-UHFFFAOYSA-N 2 0 304.437 3.257 20 30 DGEDRP Cn1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206573499 1091673380 /nfs/dbraw/zinc/67/33/80/1091673380.db2.gz MCEHDMAQTUEPLQ-LJQANCHMSA-N 2 0 310.445 3.001 20 30 DGEDRP C[NH+]1CCC(CC[NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001207486667 1091984887 /nfs/dbraw/zinc/98/48/87/1091984887.db2.gz AFOJOWLMMCMBIV-UHFFFAOYSA-N 2 0 310.485 3.482 20 30 DGEDRP C[NH+]1CCC(C)(C[NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001208110799 1092198617 /nfs/dbraw/zinc/19/86/17/1092198617.db2.gz GKHGXWQLRDTELC-UHFFFAOYSA-N 2 0 310.485 3.482 20 30 DGEDRP C[NH+]1CCC(C)(C[NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001208113792 1092202474 /nfs/dbraw/zinc/20/24/74/1092202474.db2.gz OXOCUDHBYMORCL-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP CC[NH+]1CCC(C[NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001208599950 1092420463 /nfs/dbraw/zinc/42/04/63/1092420463.db2.gz MOEVGCVCLSPSDR-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP C=CCCCC[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001209203014 1092693451 /nfs/dbraw/zinc/69/34/51/1092693451.db2.gz KOLQGUOMHGVJEJ-UHFFFAOYSA-N 2 0 316.493 3.083 20 30 DGEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634187 1093236679 /nfs/dbraw/zinc/23/66/79/1093236679.db2.gz KYXXTKMFASNUHP-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634733 1093236854 /nfs/dbraw/zinc/23/68/54/1093236854.db2.gz SCGUUGALENSFIJ-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP Cc1cc(C#N)cc(C)c1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001215646035 1094023881 /nfs/dbraw/zinc/02/38/81/1094023881.db2.gz JBWQGWJCOZWXDV-UHFFFAOYSA-N 2 0 321.428 3.066 20 30 DGEDRP C=CCCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041159 1094360873 /nfs/dbraw/zinc/36/08/73/1094360873.db2.gz BAPBNKMFZOWCGM-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218898286 1094900362 /nfs/dbraw/zinc/90/03/62/1094900362.db2.gz MLVPCWKYJRSPLF-KRWDZBQOSA-N 2 0 317.477 3.325 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972870 1094918385 /nfs/dbraw/zinc/91/83/85/1094918385.db2.gz UVKNIEHIJAABTD-KRWDZBQOSA-N 2 0 315.461 3.427 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[NH2+]CCOCCOCC[NH3+] ZINC001246285736 1095166742 /nfs/dbraw/zinc/16/67/42/1095166742.db2.gz VCYRAOAMBNYOFH-GOSISDBHSA-N 2 0 316.530 3.487 20 30 DGEDRP C[C@@H](C[NH2+][C@@H](C)Cc1cccc(C#N)c1)CC(C)(C)CC[NH3+] ZINC001171195823 1095693042 /nfs/dbraw/zinc/69/30/42/1095693042.db2.gz UXQPGKXBUKZKGY-CVEARBPZSA-N 2 0 301.478 3.480 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118180396 1095951643 /nfs/dbraw/zinc/95/16/43/1095951643.db2.gz IHJQPEXNPYFGLW-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(Nc2nccnc2C[NH3+])cc1 ZINC001171449328 1096862310 /nfs/dbraw/zinc/86/23/10/1096862310.db2.gz SWLTXKODCLDHGC-KRWDZBQOSA-N 2 0 309.417 3.002 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171931119 1097010771 /nfs/dbraw/zinc/01/07/71/1097010771.db2.gz SMCCPOZYEJUOIR-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001172299640 1097110011 /nfs/dbraw/zinc/11/00/11/1097110011.db2.gz NGAREMVWMHJQFI-MRXNPFEDSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001172299837 1097110051 /nfs/dbraw/zinc/11/00/51/1097110051.db2.gz OSBFIEUFXGDLKJ-INIZCTEOSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172346061 1097120642 /nfs/dbraw/zinc/12/06/42/1097120642.db2.gz FSWXDTADNGIKKB-SFHVURJKSA-N 2 0 316.530 3.487 20 30 DGEDRP C[C@@H](CCCC#N)[NH2+][C@@H](CN)c1ccc(Br)cc1 ZINC001172490067 1097167165 /nfs/dbraw/zinc/16/71/65/1097167165.db2.gz VEDWGYYNMZALDD-FZMZJTMJSA-N 2 0 310.239 3.121 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H](C)CCCC#N)C[C@H]3C2)cc1 ZINC001172493433 1097169004 /nfs/dbraw/zinc/16/90/04/1097169004.db2.gz ANQOAZZQWOLDEX-MISYRCLQSA-N 2 0 311.473 3.441 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001172505840 1097173486 /nfs/dbraw/zinc/17/34/86/1097173486.db2.gz VZEGTRKOHIBTHC-IRXDYDNUSA-N 2 0 313.530 3.349 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229170472 1097269502 /nfs/dbraw/zinc/26/95/02/1097269502.db2.gz CERVZNPJQDPAGE-SJLPKXTDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCOC1CCC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001173316854 1097427638 /nfs/dbraw/zinc/42/76/38/1097427638.db2.gz NWSKWWZCOILHCW-UHFFFAOYSA-N 2 0 306.494 3.354 20 30 DGEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277539384 1097785418 /nfs/dbraw/zinc/78/54/18/1097785418.db2.gz SDLKRXUUKLFLKR-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)c(C#N)c3)(C1)CCC2 ZINC001277630826 1097968221 /nfs/dbraw/zinc/96/82/21/1097968221.db2.gz SZXNPJRXKQTNKH-DLBZAZTESA-N 2 0 303.837 3.366 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176582512 1098379435 /nfs/dbraw/zinc/37/94/35/1098379435.db2.gz GXACCTPCCYPEDJ-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176758766 1098434055 /nfs/dbraw/zinc/43/40/55/1098434055.db2.gz DJJRWIZLKCNZCQ-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235040642 1098765425 /nfs/dbraw/zinc/76/54/25/1098765425.db2.gz MAXWLDNRFCEOEW-IBGZPJMESA-N 2 0 300.446 3.360 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001235192456 1098870244 /nfs/dbraw/zinc/87/02/44/1098870244.db2.gz AIFGIBXIZDSAOL-QZTJIDSGSA-N 2 0 322.477 3.189 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335719 1098960271 /nfs/dbraw/zinc/96/02/71/1098960271.db2.gz PBHYEUKRLMNZHL-UHFFFAOYSA-N 2 0 300.446 3.073 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235424836 1099015569 /nfs/dbraw/zinc/01/55/69/1099015569.db2.gz KJTMDMLHWIGPCY-WOJBJXKFSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235425441 1099018682 /nfs/dbraw/zinc/01/86/82/1099018682.db2.gz JGCURVPVOOZVGO-IRXDYDNUSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428681 1099023955 /nfs/dbraw/zinc/02/39/55/1099023955.db2.gz OSQHZPJNCGFFGG-HZPDHXFCSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235787995 1099179120 /nfs/dbraw/zinc/17/91/20/1099179120.db2.gz AYSRJOLHNHITCA-FQEVSTJZSA-N 2 0 311.473 3.345 20 30 DGEDRP C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841423 1099204740 /nfs/dbraw/zinc/20/47/40/1099204740.db2.gz FLTHLGNVASDXMM-OAQYLSRUSA-N 2 0 304.437 3.128 20 30 DGEDRP CCCCCCCCOc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235878025 1099230786 /nfs/dbraw/zinc/23/07/86/1099230786.db2.gz YQCLHVMDPVQUIF-UHFFFAOYSA-N 2 0 321.509 3.145 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235963099 1099293737 /nfs/dbraw/zinc/29/37/37/1099293737.db2.gz UIENMUYTORKAIZ-UHFFFAOYSA-N 2 0 321.468 3.284 20 30 DGEDRP C#Cc1cccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235971884 1099301468 /nfs/dbraw/zinc/30/14/68/1099301468.db2.gz BXVNPFLVEYQYFD-UHFFFAOYSA-N 2 0 316.448 3.305 20 30 DGEDRP C=CCc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1O ZINC001236599020 1099695153 /nfs/dbraw/zinc/69/51/53/1099695153.db2.gz OGBQUULRIGJXOO-OAHLLOKOSA-N 2 0 300.446 3.085 20 30 DGEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241620774 1101588191 /nfs/dbraw/zinc/58/81/91/1101588191.db2.gz QUSILCWTMPAPRM-LJQANCHMSA-N 2 0 308.429 3.017 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001245978315 1104345813 /nfs/dbraw/zinc/34/58/13/1104345813.db2.gz BDOILJZDCMZXTK-GOSISDBHSA-N 2 0 308.510 3.243 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246026880 1104353618 /nfs/dbraw/zinc/35/36/18/1104353618.db2.gz VPDUFNWMRGEKAS-OALUTQOASA-N 2 0 308.510 3.340 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246027707 1104354746 /nfs/dbraw/zinc/35/47/46/1104354746.db2.gz BHJDVYUUMDPCIC-SFHVURJKSA-N 2 0 308.510 3.482 20 30 DGEDRP C[C@@H]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC001246090338 1104381364 /nfs/dbraw/zinc/38/13/64/1104381364.db2.gz FWPTVMLYEWHTHP-WSCVDHEUSA-N 2 0 311.473 3.368 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246260877 1104463789 /nfs/dbraw/zinc/46/37/89/1104463789.db2.gz BVIUHBCTHJVDJH-LEWJYISDSA-N 2 0 304.437 3.121 20 30 DGEDRP CCCCCCCCC[C@H](C)[NH2+]CCOCCOCC[NH3+] ZINC001246284411 1104474233 /nfs/dbraw/zinc/47/42/33/1104474233.db2.gz MXDBVFGZSZSANZ-KRWDZBQOSA-N 2 0 302.503 3.097 20 30 DGEDRP SCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246464913 1104550425 /nfs/dbraw/zinc/55/04/25/1104550425.db2.gz HCYHJZIAFXWVDO-ROUUACIJSA-N 2 0 306.519 3.430 20 30 DGEDRP CCCCCCCC[C@H](CCC)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246894476 1104725775 /nfs/dbraw/zinc/72/57/75/1104725775.db2.gz BNKAQCCYZWUWMA-SFHVURJKSA-N 2 0 309.542 3.495 20 30 DGEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246946062 1104746786 /nfs/dbraw/zinc/74/67/86/1104746786.db2.gz FGQTZSLSKNDQEC-IKGGRYGDSA-N 2 0 312.498 3.338 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3c[nH]c4cc(C#N)ccc34)CC2)C1 ZINC001275786565 1104907197 /nfs/dbraw/zinc/90/71/97/1104907197.db2.gz SXOMGPRAJAXXJQ-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C#CCCC[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001275975872 1104975612 /nfs/dbraw/zinc/97/56/12/1104975612.db2.gz QGTAQGYTQZJZRR-UHFFFAOYSA-N 2 0 302.384 3.140 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276040555 1105003831 /nfs/dbraw/zinc/00/38/31/1105003831.db2.gz QLYYNOBEDICSOZ-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCOc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276091309 1105015594 /nfs/dbraw/zinc/01/55/94/1105015594.db2.gz MCPGNXMGHGCDJJ-HDICACEKSA-N 2 0 300.446 3.025 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC001249685215 1105353282 /nfs/dbraw/zinc/35/32/82/1105353282.db2.gz GBMPUZNIOAKIBU-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252121499 1105744224 /nfs/dbraw/zinc/74/42/24/1105744224.db2.gz GSXOJQBFTJBXDE-IBGZPJMESA-N 2 0 319.493 3.315 20 30 DGEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001252577984 1105796590 /nfs/dbraw/zinc/79/65/90/1105796590.db2.gz AGVDJUIYTAMLRI-SFHVURJKSA-N 2 0 322.880 3.079 20 30 DGEDRP C[N@@H+]1CCC[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254525460 1106093709 /nfs/dbraw/zinc/09/37/09/1106093709.db2.gz JFMOIYGBUOYVGF-HXUWFJFHSA-N 2 0 311.473 3.297 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001254650187 1106122370 /nfs/dbraw/zinc/12/23/70/1106122370.db2.gz YHGPRICDWYWYOM-RDJZCZTQSA-N 2 0 317.864 3.368 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001254665582 1106127845 /nfs/dbraw/zinc/12/78/45/1106127845.db2.gz OKJTXJFUMGCWHD-PKOBYXMFSA-N 2 0 324.472 3.062 20 30 DGEDRP C[N@H+]1C[C@@H]2C[NH+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257019956 1106525466 /nfs/dbraw/zinc/52/54/66/1106525466.db2.gz XTHCUIPORCASKJ-REPIYIIUSA-N 2 0 309.457 3.078 20 30 DGEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258048476 1106663948 /nfs/dbraw/zinc/66/39/48/1106663948.db2.gz UZNWNSQUAYTPIY-GBESFXJTSA-N 2 0 309.542 3.446 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258172265 1106687011 /nfs/dbraw/zinc/68/70/11/1106687011.db2.gz WUCPFUPNCGKOHL-RTBURBONSA-N 2 0 319.537 3.103 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001258723954 1106928385 /nfs/dbraw/zinc/92/83/85/1106928385.db2.gz JQALOEIRAPSDEY-PBVYKCSPSA-N 2 0 306.434 3.477 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001258727118 1106931341 /nfs/dbraw/zinc/93/13/41/1106931341.db2.gz BSUPFSIHQUWTPB-QGZVFWFLSA-N 2 0 316.493 3.205 20 30 DGEDRP C=CCOC(=O)[C@H](CC(C)C)N[C@@H](C)CCC[NH+](CC)CC ZINC001258899044 1107046908 /nfs/dbraw/zinc/04/69/08/1107046908.db2.gz CMRJRBDMLHLVPR-IRXDYDNUSA-N 2 0 312.498 3.230 20 30 DGEDRP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001265664935 1108957363 /nfs/dbraw/zinc/95/73/63/1108957363.db2.gz ZOFOSJNEQOWMPO-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181524550 199310859 /nfs/dbraw/zinc/31/08/59/199310859.db2.gz VRUIXZQGKUDFPE-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP C[NH+]1CCC(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000105454310 530049052 /nfs/dbraw/zinc/04/90/52/530049052.db2.gz ADWCOTDAMTYNSZ-UHFFFAOYSA-N 2 0 315.461 3.191 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104181501 432014396 /nfs/dbraw/zinc/01/43/96/432014396.db2.gz PAIHHGICUWZVEV-OAHLLOKOSA-N 2 0 314.477 3.022 20 30 DGEDRP N#Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000134927929 432091441 /nfs/dbraw/zinc/09/14/41/432091441.db2.gz UDYLFWKVAUCAEY-BEFAXECRSA-N 2 0 313.420 3.146 20 30 DGEDRP C[C@@H]1C[C@H](CC[NH2+]C[C@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965931 400333818 /nfs/dbraw/zinc/33/38/18/400333818.db2.gz UADMMIZAOUGEKO-HOJAQTOUSA-N 2 0 324.472 3.320 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575610 400501725 /nfs/dbraw/zinc/50/17/25/400501725.db2.gz SBUYLFQACSDPKF-ZWKOTPCHSA-N 2 0 321.509 3.043 20 30 DGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596649211 400472162 /nfs/dbraw/zinc/47/21/62/400472162.db2.gz CLRCWAGRFAWQCH-BRWVUGGUSA-N 2 0 322.493 3.032 20 30 DGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(CC#N)CC1 ZINC000602795759 400575833 /nfs/dbraw/zinc/57/58/33/400575833.db2.gz CORRVRYCZSKZCS-UHFFFAOYSA-N 2 0 312.461 3.314 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCSCC#N)C1 ZINC000074990937 400551262 /nfs/dbraw/zinc/55/12/62/400551262.db2.gz GFPKDNUEGCSBRB-IAGOWNOFSA-N 2 0 309.523 3.220 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000602878042 400597423 /nfs/dbraw/zinc/59/74/23/400597423.db2.gz OZMIWOFWFUOUNX-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)[C@@H](C)C1 ZINC000246869736 432174116 /nfs/dbraw/zinc/17/41/16/432174116.db2.gz CMKZGPHQIKXLKR-MAUKXSAKSA-N 2 0 317.502 3.111 20 30 DGEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000246856021 432174604 /nfs/dbraw/zinc/17/46/04/432174604.db2.gz KXPORJKEZMZHQY-PKOBYXMFSA-N 2 0 311.473 3.404 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360838654 270004611 /nfs/dbraw/zinc/00/46/11/270004611.db2.gz VCAGZTGTUCAQGU-JXFKEZNVSA-N 2 0 309.457 3.400 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273753 266152654 /nfs/dbraw/zinc/15/26/54/266152654.db2.gz PCQDLUIAUZBMQP-SJLPKXTDSA-N 2 0 315.461 3.132 20 30 DGEDRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000192952401 432434085 /nfs/dbraw/zinc/43/40/85/432434085.db2.gz ZGSYTFIWCVNUQS-OAHLLOKOSA-N 2 0 301.434 3.112 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H](C)C1 ZINC000187009046 432642168 /nfs/dbraw/zinc/64/21/68/432642168.db2.gz YFPJQEOSCMBXGQ-SJORKVTESA-N 2 0 309.498 3.043 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000178699362 432768795 /nfs/dbraw/zinc/76/87/95/432768795.db2.gz ASOONNXXJRKFCQ-JKSUJKDBSA-N 2 0 311.429 3.190 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000178699372 432768884 /nfs/dbraw/zinc/76/88/84/432768884.db2.gz ASOONNXXJRKFCQ-HZPDHXFCSA-N 2 0 311.429 3.190 20 30 DGEDRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000276899781 432826575 /nfs/dbraw/zinc/82/65/75/432826575.db2.gz NCKVNAZQVQTULB-MRXNPFEDSA-N 2 0 315.461 3.362 20 30 DGEDRP CC(C)(C#N)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297665766 433003163 /nfs/dbraw/zinc/00/31/63/433003163.db2.gz ODLIYQJINKRTMX-UHFFFAOYSA-N 2 0 308.429 3.297 20 30 DGEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304809938 434016652 /nfs/dbraw/zinc/01/66/52/434016652.db2.gz VZTMGQOKXPTGEO-HOCLYGCPSA-N 2 0 322.522 3.081 20 30 DGEDRP CC(C)(C#N)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310028011 434109218 /nfs/dbraw/zinc/10/92/18/434109218.db2.gz WIDCBUKULXYQSG-MOPGFXCFSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000285978766 434123544 /nfs/dbraw/zinc/12/35/44/434123544.db2.gz HMUJJYQFSBSNOK-ZWKOTPCHSA-N 2 0 319.493 3.150 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249124 435213814 /nfs/dbraw/zinc/21/38/14/435213814.db2.gz XSJMOKUWYVKBBI-AFYVEPGGSA-N 2 0 312.457 3.288 20 30 DGEDRP C=CCOc1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000536697049 435403810 /nfs/dbraw/zinc/40/38/10/435403810.db2.gz AHPMVBVUJLAVLO-LJQANCHMSA-N 2 0 314.473 3.415 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000538137392 435482041 /nfs/dbraw/zinc/48/20/41/435482041.db2.gz JTBYSBVDSKILKG-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661114993 435970253 /nfs/dbraw/zinc/97/02/53/435970253.db2.gz NYXHCXXQFMSXJQ-RBUKOAKNSA-N 2 0 307.526 3.127 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543377 436077957 /nfs/dbraw/zinc/07/79/57/436077957.db2.gz MANQONFAMAPPOT-MSOLQXFVSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347737 436444798 /nfs/dbraw/zinc/44/47/98/436444798.db2.gz UGPOKMSIHJGFCA-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000566413955 315342937 /nfs/dbraw/zinc/34/29/37/315342937.db2.gz KDERJHZREXGEOV-UHFFFAOYSA-N 2 0 312.461 3.041 20 30 DGEDRP C=CCOCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352446904 526758868 /nfs/dbraw/zinc/75/88/68/526758868.db2.gz HWTUSQDCZWOKLI-PMACEKPBSA-N 2 0 314.473 3.033 20 30 DGEDRP C=CC[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180138566 527138236 /nfs/dbraw/zinc/13/82/36/527138236.db2.gz DXYYUQIWTPDBGW-AWEZNQCLSA-N 2 0 307.869 3.146 20 30 DGEDRP C=CCCC[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353696655 527193147 /nfs/dbraw/zinc/19/31/47/527193147.db2.gz AHJOZFZUWTWNES-UHFFFAOYSA-N 2 0 301.478 3.227 20 30 DGEDRP C=CCc1cc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc(OC)c1O ZINC000347010048 527236112 /nfs/dbraw/zinc/23/61/12/527236112.db2.gz FQNKTVUQPKYQNB-UHFFFAOYSA-N 2 0 318.461 3.093 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000182267278 527450285 /nfs/dbraw/zinc/45/02/85/527450285.db2.gz RMQPABDFCNTDRO-VQTJNVASSA-N 2 0 314.473 3.088 20 30 DGEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680065 528148801 /nfs/dbraw/zinc/14/88/01/528148801.db2.gz NHXNRVMJMIXXJF-LPHOPBHVSA-N 2 0 315.461 3.052 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000104181491 529176300 /nfs/dbraw/zinc/17/63/00/529176300.db2.gz SFXGBGLQVSGSHI-INIZCTEOSA-N 2 0 302.466 3.096 20 30 DGEDRP C=CCOCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684204416 549594444 /nfs/dbraw/zinc/59/44/44/549594444.db2.gz AAGSMWFRFZEOIM-HKUYNNGSSA-N 2 0 302.462 3.079 20 30 DGEDRP C=CCOCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684204417 549594607 /nfs/dbraw/zinc/59/46/07/549594607.db2.gz AAGSMWFRFZEOIM-IEBWSBKVSA-N 2 0 302.462 3.079 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926345144 617957589 /nfs/dbraw/zinc/95/75/89/617957589.db2.gz ZQZHPZLLDAYJCT-MNEFBYGVSA-N 2 0 302.462 3.380 20 30 DGEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000894669464 618417330 /nfs/dbraw/zinc/41/73/30/618417330.db2.gz SRXXSWABRMSLEG-INIZCTEOSA-N 2 0 321.262 3.055 20 30 DGEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000925623727 618513125 /nfs/dbraw/zinc/51/31/25/618513125.db2.gz WNJLOKLOFLSQBW-DLBZAZTESA-N 2 0 317.502 3.287 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000925771528 618613506 /nfs/dbraw/zinc/61/35/06/618613506.db2.gz BTNZPITVYQMEIO-GVDBMIGSSA-N 2 0 315.486 3.290 20 30 DGEDRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902401692 619632241 /nfs/dbraw/zinc/63/22/41/619632241.db2.gz BFICIYKNOCTZIX-HNNXBMFYSA-N 2 0 303.475 3.148 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504560 619644258 /nfs/dbraw/zinc/64/42/58/619644258.db2.gz OKELYDIVMCMTFU-BVYOLEPJSA-N 2 0 300.446 3.433 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746978 619669443 /nfs/dbraw/zinc/66/94/43/619669443.db2.gz BRAIAOCPGNQLBY-JKSUJKDBSA-N 2 0 300.450 3.258 20 30 DGEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902836138 619682211 /nfs/dbraw/zinc/68/22/11/619682211.db2.gz SVGHHWLJUIAVFY-FAEJEUNOSA-N 2 0 312.461 3.401 20 30 DGEDRP C=C(C)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603774 621007057 /nfs/dbraw/zinc/00/70/57/621007057.db2.gz OBTOTJPUAXHXMP-LJQANCHMSA-N 2 0 317.477 3.341 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765015896 622240221 /nfs/dbraw/zinc/24/02/21/622240221.db2.gz RMOCUWDFARVNPL-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769470258 622530481 /nfs/dbraw/zinc/53/04/81/622530481.db2.gz JTQMGSRAFULLGW-PKOBYXMFSA-N 2 0 314.473 3.393 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260706 623095388 /nfs/dbraw/zinc/09/53/88/623095388.db2.gz GDNKODWEXLWWKB-NFBUACBFSA-N 2 0 309.457 3.446 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000779154047 623735355 /nfs/dbraw/zinc/73/53/55/623735355.db2.gz OMMVGTHRUPJLDZ-UHFFFAOYSA-N 2 0 320.864 3.126 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876933698 623748002 /nfs/dbraw/zinc/74/80/02/623748002.db2.gz WTWLBAFJFFBGGD-AWEZNQCLSA-N 2 0 320.868 3.351 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883237962 626619460 /nfs/dbraw/zinc/61/94/60/626619460.db2.gz OMCXEYPBKMUFSH-GBESFXJTSA-N 2 0 306.494 3.212 20 30 DGEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000883391480 626671394 /nfs/dbraw/zinc/67/13/94/626671394.db2.gz LLPMXWDBKBCHMO-LWYYNNOASA-N 2 0 314.473 3.099 20 30 DGEDRP N#Cc1csc(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000810142031 626980571 /nfs/dbraw/zinc/98/05/71/626980571.db2.gz AKJZJAKIKTZQOR-UHFFFAOYSA-N 2 0 306.479 3.151 20 30 DGEDRP C=CCN1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886524977 627156924 /nfs/dbraw/zinc/15/69/24/627156924.db2.gz UYEJLRMHCXOZNE-UHFFFAOYSA-N 2 0 305.510 3.024 20 30 DGEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC[NH+](C(C)C)C(C)C)cc1 ZINC000104153843 627410872 /nfs/dbraw/zinc/41/08/72/627410872.db2.gz PDBGEHAQMFBGDC-UHFFFAOYSA-N 2 0 320.481 3.319 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000104181818 627412807 /nfs/dbraw/zinc/41/28/07/627412807.db2.gz FPWGGAVONLVMAX-UHFFFAOYSA-N 2 0 314.477 3.043 20 30 DGEDRP N#CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925619991 627764446 /nfs/dbraw/zinc/76/44/46/627764446.db2.gz CKGCROWSGCIUNW-IBGZPJMESA-N 2 0 309.413 3.159 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817587636 627926667 /nfs/dbraw/zinc/92/66/67/627926667.db2.gz ZRMFGFNVJPAAAU-FAEJEUNOSA-N 2 0 300.446 3.222 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926694191 627933944 /nfs/dbraw/zinc/93/39/44/627933944.db2.gz QZURJXBPZKYEGS-MRXNPFEDSA-N 2 0 314.477 3.212 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000817945438 627970564 /nfs/dbraw/zinc/97/05/64/627970564.db2.gz CSAPGJWMEQKXSD-GJZGRUSLSA-N 2 0 308.853 3.468 20 30 DGEDRP CC(C)C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849101699 631835831 /nfs/dbraw/zinc/83/58/31/631835831.db2.gz DQBZVZDLNKEDQO-SJLPKXTDSA-N 2 0 318.509 3.231 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303267067 657525632 /nfs/dbraw/zinc/52/56/32/657525632.db2.gz WQRIZZKVAUTVMR-HZPDHXFCSA-N 2 0 316.493 3.264 20 30 DGEDRP CCNC(NCc1ccc(C[NH+]2CCCCCC2)cc1)=[NH+]CC ZINC000303359724 657529489 /nfs/dbraw/zinc/52/94/89/657529489.db2.gz BGOJJJPIZCSWCD-UHFFFAOYSA-N 2 0 316.493 3.138 20 30 DGEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000303368343 657531022 /nfs/dbraw/zinc/53/10/22/657531022.db2.gz IVHWKOKPEQSPOP-QGZVFWFLSA-N 2 0 302.466 3.314 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)cc1C ZINC000303784809 657563486 /nfs/dbraw/zinc/56/34/86/657563486.db2.gz PSNWOIRUAMNHOJ-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303787226 657564088 /nfs/dbraw/zinc/56/40/88/657564088.db2.gz SHJKDWUJZNTADW-QGZVFWFLSA-N 2 0 302.466 3.096 20 30 DGEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000303910699 657578636 /nfs/dbraw/zinc/57/86/36/657578636.db2.gz ZCXHZDRIUFYYSM-HUUCEWRRSA-N 2 0 314.477 3.022 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)c1 ZINC000303910200 657578680 /nfs/dbraw/zinc/57/86/80/657578680.db2.gz YRPHIEZCVGSYGE-UHFFFAOYSA-N 2 0 316.493 3.488 20 30 DGEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)Nc1cccc2c1CCCC2 ZINC000304667707 657642817 /nfs/dbraw/zinc/64/28/17/657642817.db2.gz LEIQHSQLMALZHY-UHFFFAOYSA-N 2 0 314.477 3.168 20 30 DGEDRP CCC(CC)(C[NH+]=C(N(C)C)N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000304762399 657650304 /nfs/dbraw/zinc/65/03/04/657650304.db2.gz VQZUWYXZJFJZGJ-MRXNPFEDSA-N 2 0 318.509 3.375 20 30 DGEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305034437 657667673 /nfs/dbraw/zinc/66/76/73/657667673.db2.gz RZUNHQWFQARANU-SJORKVTESA-N 2 0 310.530 3.083 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157396365 659055403 /nfs/dbraw/zinc/05/54/03/659055403.db2.gz XYUNBLMTRFIEDV-KRWDZBQOSA-N 2 0 316.493 3.344 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000247142029 662302058 /nfs/dbraw/zinc/30/20/58/662302058.db2.gz WEWPSDWOXLNYTA-MSOLQXFVSA-N 2 0 314.473 3.470 20 30 DGEDRP Clc1ccc(C#CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001579938005 1192000205 /nfs/dbraw/zinc/00/02/05/1192000205.db2.gz KOTXYDGUPYUHLW-DLBZAZTESA-N 2 0 302.849 3.013 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(CCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC001580066685 1192005818 /nfs/dbraw/zinc/00/58/18/1192005818.db2.gz PSUVWCNBFWJXLN-INIZCTEOSA-N 2 0 301.409 3.038 20 30 DGEDRP CCCCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH]cn1 ZINC001179689951 1177804294 /nfs/dbraw/zinc/80/42/94/1177804294.db2.gz SXVFZHBRUVREHF-UHFFFAOYSA-N 2 0 322.497 3.189 20 30 DGEDRP C=C(C[NH+](C)C)C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001628470354 1194180320 /nfs/dbraw/zinc/18/03/20/1194180320.db2.gz QHIZKDNHPVVCAV-UHFFFAOYSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001666938255 1197299098 /nfs/dbraw/zinc/29/90/98/1197299098.db2.gz IUQAUMUDPHLIEK-INIZCTEOSA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303890412 1199601345 /nfs/dbraw/zinc/60/13/45/1199601345.db2.gz QCRHBGGTFRFBEZ-OAHLLOKOSA-N 2 0 302.466 3.232 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000303865682 1199601350 /nfs/dbraw/zinc/60/13/50/1199601350.db2.gz BSUYAICMKSCMSL-MAUKXSAKSA-N 2 0 302.466 3.232 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000303865683 1199601582 /nfs/dbraw/zinc/60/15/82/1199601582.db2.gz BSUYAICMKSCMSL-QAPCUYQASA-N 2 0 302.466 3.232 20 30 DGEDRP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001755307004 1200788053 /nfs/dbraw/zinc/78/80/53/1200788053.db2.gz WYGTZWKNLLRKBG-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001692132149 1200941525 /nfs/dbraw/zinc/94/15/25/1200941525.db2.gz QTKLBYPVZRPMBQ-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700289495 1202227746 /nfs/dbraw/zinc/22/77/46/1202227746.db2.gz NYLUBYZBRICVQU-UHFFFAOYSA-N 2 0 323.525 3.023 20 30 DGEDRP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001725242219 1204125920 /nfs/dbraw/zinc/12/59/20/1204125920.db2.gz NQQINKVHLNRADE-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001731567698 1204465700 /nfs/dbraw/zinc/46/57/00/1204465700.db2.gz CDIPMLDCFZZEKH-DAWZGUTISA-N 2 0 323.525 3.068 20 30 DGEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267960780 1083654149 /nfs/dbraw/zinc/65/41/49/1083654149.db2.gz NLTWBECVNFZERI-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167914900 1084649142 /nfs/dbraw/zinc/64/91/42/1084649142.db2.gz BFRFVYYKJNWZRC-HNNXBMFYSA-N 2 0 304.463 3.048 20 30 DGEDRP C[NH+]1CCC(Oc2cc[nH+]c(NCC#Cc3ccccc3)c2)CC1 ZINC001159377595 1088324682 /nfs/dbraw/zinc/32/46/82/1088324682.db2.gz VXPHXMMSOKHSCI-UHFFFAOYSA-N 2 0 321.424 3.018 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290609 1090141162 /nfs/dbraw/zinc/14/11/62/1090141162.db2.gz KLRPKSLDYOJFGS-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158079559 1090181686 /nfs/dbraw/zinc/18/16/86/1090181686.db2.gz HCJYNDLYBZCQEM-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1[nH+]c(C)cc2[nH]ccc21 ZINC001163472273 1090194378 /nfs/dbraw/zinc/19/43/78/1090194378.db2.gz XUSZDBWIFKWBAH-UHFFFAOYSA-N 2 0 307.401 3.361 20 30 DGEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1C#N ZINC001168600786 1090599374 /nfs/dbraw/zinc/59/93/74/1090599374.db2.gz CXFUEQNCRNHRQI-XYLSPAALSA-N 2 0 313.449 3.064 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001205478999 1091231757 /nfs/dbraw/zinc/23/17/57/1091231757.db2.gz MWPOROLAMLEILO-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)cc1C#N ZINC001139727448 1091656663 /nfs/dbraw/zinc/65/66/63/1091656663.db2.gz REUSDYCHISJBIP-SFHVURJKSA-N 2 0 307.397 3.223 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754408 1091988000 /nfs/dbraw/zinc/98/80/00/1091988000.db2.gz YNBRGXOUGVEPLF-UHFFFAOYSA-N 2 0 321.415 3.389 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423690 1092349070 /nfs/dbraw/zinc/34/90/70/1092349070.db2.gz NSCPXMPONVJYEW-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208854041 1092544501 /nfs/dbraw/zinc/54/45/01/1092544501.db2.gz HRQOVTPCOFTFMI-UHFFFAOYSA-N 2 0 311.473 3.299 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001169155596 1092569836 /nfs/dbraw/zinc/56/98/36/1092569836.db2.gz RZHNQGYREVAFQE-ACDBMABISA-N 2 0 309.457 3.363 20 30 DGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)cc1)CC(C)C ZINC000303785442 1093848419 /nfs/dbraw/zinc/84/84/19/1093848419.db2.gz QJVOZSRAQXWHKD-QGZVFWFLSA-N 2 0 304.482 3.478 20 30 DGEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078143 1094390530 /nfs/dbraw/zinc/39/05/30/1094390530.db2.gz ZHOZZTAEDHHZSD-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081374 1094391929 /nfs/dbraw/zinc/39/19/29/1094391929.db2.gz LHAMGVRHNYVEPU-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP c1ccc([S+](CCO[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC001217768292 1094491610 /nfs/dbraw/zinc/49/16/10/1094491610.db2.gz GXQNCDDQYXSDJC-QGZVFWFLSA-N 2 0 314.474 3.492 20 30 DGEDRP C[C@H]1[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217908186 1094514546 /nfs/dbraw/zinc/51/45/46/1094514546.db2.gz OYAGOICJMHCGMT-QAPCUYQASA-N 2 0 300.447 3.100 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474392 1094544318 /nfs/dbraw/zinc/54/43/18/1094544318.db2.gz OYOUSXQWIBNRLG-QGZVFWFLSA-N 2 0 313.530 3.029 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336889240 1094774069 /nfs/dbraw/zinc/77/40/69/1094774069.db2.gz QAVBVHYAPPYGNL-OTWHNJEPSA-N 2 0 311.473 3.337 20 30 DGEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001337087227 1094848529 /nfs/dbraw/zinc/84/85/29/1094848529.db2.gz PYXZECARFKPTLG-MRXNPFEDSA-N 2 0 321.852 3.081 20 30 DGEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726668 1095357739 /nfs/dbraw/zinc/35/77/39/1095357739.db2.gz MMNWNSVPZGQXKY-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222457861 1095623517 /nfs/dbraw/zinc/62/35/17/1095623517.db2.gz VWEHHMYEAIVZDF-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340106897 1095864225 /nfs/dbraw/zinc/86/42/25/1095864225.db2.gz WOVMFPBWTBPXAS-QZTJIDSGSA-N 2 0 323.525 3.009 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340107508 1095864402 /nfs/dbraw/zinc/86/44/02/1095864402.db2.gz YRPQZGLNMXHJLR-ZACQAIPSSA-N 2 0 311.514 3.005 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254983 1095937779 /nfs/dbraw/zinc/93/77/79/1095937779.db2.gz WUQNIBUIJISKBY-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001119725065 1096250972 /nfs/dbraw/zinc/25/09/72/1096250972.db2.gz JWRLCUISEBUSHP-UHFFFAOYSA-N 2 0 314.477 3.287 20 30 DGEDRP C=CCCCCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228064945 1097043212 /nfs/dbraw/zinc/04/32/12/1097043212.db2.gz LAMINDSAJVPLAR-UHFFFAOYSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(C#N)cc1)CC(C)(C)CC[NH3+] ZINC001172300051 1097109882 /nfs/dbraw/zinc/10/98/82/1097109882.db2.gz RKYMARABZUMMGQ-CVEARBPZSA-N 2 0 301.478 3.480 20 30 DGEDRP C[N@H+]1C[C@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@H]2C1 ZINC001231577753 1097783013 /nfs/dbraw/zinc/78/30/13/1097783013.db2.gz AXNNEBXRBXSRCL-SZPZYZBQSA-N 2 0 316.448 3.080 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175565958 1098099809 /nfs/dbraw/zinc/09/98/09/1098099809.db2.gz NDHRWKVTIPPARN-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175574558 1098101674 /nfs/dbraw/zinc/10/16/74/1098101674.db2.gz XZYAQNWEAIIMKO-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728223 1098414253 /nfs/dbraw/zinc/41/42/53/1098414253.db2.gz GXHMYMLSENWHDI-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C(#Cc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001235193851 1098870405 /nfs/dbraw/zinc/87/04/05/1098870405.db2.gz QWROVUHXMXPQKU-IFMALSPDSA-N 2 0 316.448 3.128 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235242296 1098916055 /nfs/dbraw/zinc/91/60/55/1098916055.db2.gz VVRCEJLALNWICV-KRWDZBQOSA-N 2 0 301.409 3.051 20 30 DGEDRP C#Cc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377964 1098987986 /nfs/dbraw/zinc/98/79/86/1098987986.db2.gz XPSNFIUXVUYPAO-YADHBBJMSA-N 2 0 316.448 3.247 20 30 DGEDRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943370 1099008879 /nfs/dbraw/zinc/00/88/79/1099008879.db2.gz VGAMXSZBAMQDRN-UHFFFAOYSA-N 2 0 318.490 3.043 20 30 DGEDRP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426755 1099018215 /nfs/dbraw/zinc/01/82/15/1099018215.db2.gz LDAWFQXWTDCDOJ-JKSUJKDBSA-N 2 0 317.864 3.423 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430612 1099024476 /nfs/dbraw/zinc/02/44/76/1099024476.db2.gz JUZKYGUKVIBXHR-MOPGFXCFSA-N 2 0 311.473 3.332 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430617 1099026286 /nfs/dbraw/zinc/02/62/86/1099026286.db2.gz JUZKYGUKVIBXHR-OALUTQOASA-N 2 0 311.473 3.332 20 30 DGEDRP CCc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC001235431196 1099028738 /nfs/dbraw/zinc/02/87/38/1099028738.db2.gz MPYYHACNBVWIGD-WOJBJXKFSA-N 2 0 311.473 3.332 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235663154 1099112838 /nfs/dbraw/zinc/11/28/38/1099112838.db2.gz RAKMEBLZNOSBSP-UHFFFAOYSA-N 2 0 303.494 3.498 20 30 DGEDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235673714 1099116536 /nfs/dbraw/zinc/11/65/36/1099116536.db2.gz CPKMKMXTPHXJAY-IBGZPJMESA-N 2 0 304.437 3.257 20 30 DGEDRP C#CC[N@H+](CC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC001235835683 1099200897 /nfs/dbraw/zinc/20/08/97/1099200897.db2.gz ZTNORAZJUYEJDC-HXUWFJFHSA-N 2 0 308.469 3.389 20 30 DGEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](CCCOC)C2CC[NH2+]CC2)CC1 ZINC001235936892 1099272716 /nfs/dbraw/zinc/27/27/16/1099272716.db2.gz GXNWUWXMFHTJGG-GOSISDBHSA-N 2 0 306.494 3.380 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294612 1099376255 /nfs/dbraw/zinc/37/62/55/1099376255.db2.gz OFXZOOBZDDDMBS-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+](C)CCCC[NH3+])cc1 ZINC001236140911 1099426528 /nfs/dbraw/zinc/42/65/28/1099426528.db2.gz AOPSVZXYNAERSF-UHFFFAOYSA-N 2 0 322.456 3.497 20 30 DGEDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001236605353 1099700295 /nfs/dbraw/zinc/70/02/95/1099700295.db2.gz RDAXBFKTYVCNDO-OAQYLSRUSA-N 2 0 304.437 3.257 20 30 DGEDRP C=CCOc1cccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236638310 1099717737 /nfs/dbraw/zinc/71/77/37/1099717737.db2.gz YWVORCFBEBEOBA-UHFFFAOYSA-N 2 0 300.446 3.358 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)s1 ZINC001236962314 1099894540 /nfs/dbraw/zinc/89/45/40/1099894540.db2.gz NKDYBVZWFPWKOG-UHFFFAOYSA-N 2 0 303.475 3.221 20 30 DGEDRP N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356173 1100957032 /nfs/dbraw/zinc/95/70/32/1100957032.db2.gz OFCVFSPKXHJSKE-GOSISDBHSA-N 2 0 317.436 3.379 20 30 DGEDRP N#Cc1cc(-c2ccccc2C2([NH3+])CCC2)cc(C2C[NH2+]C2)c1 ZINC001240361444 1100959162 /nfs/dbraw/zinc/95/91/62/1100959162.db2.gz ZLGKWIGQGRQGKP-UHFFFAOYSA-N 2 0 303.409 3.250 20 30 DGEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241620772 1101588819 /nfs/dbraw/zinc/58/88/19/1101588819.db2.gz QUSILCWTMPAPRM-IBGZPJMESA-N 2 0 308.429 3.017 20 30 DGEDRP C[C@H]1CC(=O)C=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001242743741 1102321476 /nfs/dbraw/zinc/32/14/76/1102321476.db2.gz ATESYGXNFKRKNH-OAHLLOKOSA-N 2 0 312.457 3.240 20 30 DGEDRP N#CCOc1ccccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001243588738 1102830739 /nfs/dbraw/zinc/83/07/39/1102830739.db2.gz PBEALFPZMWYRIZ-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP Cc1c(C#N)cccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001244818481 1103700275 /nfs/dbraw/zinc/70/02/75/1103700275.db2.gz UYEGMYSMIZLFGV-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110711905 1103803127 /nfs/dbraw/zinc/80/31/27/1103803127.db2.gz UQGYTOVTXYNCKB-TVFCKZIOSA-N 2 0 323.525 3.019 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001245976110 1104345548 /nfs/dbraw/zinc/34/55/48/1104345548.db2.gz BGJDQHOPXDFVHB-FQEVSTJZSA-N 2 0 316.489 3.309 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001245992061 1104347455 /nfs/dbraw/zinc/34/74/55/1104347455.db2.gz XRFWLIQSKPNKDO-XBMUEBEBSA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246018039 1104355659 /nfs/dbraw/zinc/35/56/59/1104355659.db2.gz LMGPSECBXATIGV-INDMIFKZSA-N 2 0 308.510 3.242 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246071257 1104363759 /nfs/dbraw/zinc/36/37/59/1104363759.db2.gz RGFUNPJYDFSFLV-MJGOQNOKSA-N 2 0 308.510 3.338 20 30 DGEDRP C[C@H]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104090 1104388625 /nfs/dbraw/zinc/38/86/25/1104388625.db2.gz JETJEPCXTFBBDH-OXHPOLQJSA-N 2 0 311.473 3.368 20 30 DGEDRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246301368 1104479255 /nfs/dbraw/zinc/47/92/55/1104479255.db2.gz SIYISCHBIJJXMJ-LMDPOFIKSA-N 2 0 317.452 3.493 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246326101 1104491513 /nfs/dbraw/zinc/49/15/13/1104491513.db2.gz NGOYEKHPPQCLIH-INIZCTEOSA-N 2 0 312.498 3.400 20 30 DGEDRP CCCC[C@H]1C[C@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328386 1104492702 /nfs/dbraw/zinc/49/27/02/1104492702.db2.gz LRFSRECNGULVMR-ZWKOTPCHSA-N 2 0 315.461 3.228 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246396450 1104526386 /nfs/dbraw/zinc/52/63/86/1104526386.db2.gz YSXVNYYRHXBJQR-INIZCTEOSA-N 2 0 302.462 3.261 20 30 DGEDRP N#Cc1ccc(C2CCC([NH2+]C[C@@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246477353 1104559841 /nfs/dbraw/zinc/55/98/41/1104559841.db2.gz OMDVKYWLRXZLMD-JEVOJNTISA-N 2 0 315.436 3.122 20 30 DGEDRP C[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC001246542303 1104584994 /nfs/dbraw/zinc/58/49/94/1104584994.db2.gz OHODOAWCGYBVFO-WINGESFGSA-N 2 0 315.436 3.056 20 30 DGEDRP CCCCCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644439 1104642516 /nfs/dbraw/zinc/64/25/16/1104642516.db2.gz HTHVVZWDPFAOCY-QRVBRYPASA-N 2 0 310.526 3.419 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001246794926 1104679870 /nfs/dbraw/zinc/67/98/70/1104679870.db2.gz LEXHMYHWEFKTCD-INIZCTEOSA-N 2 0 311.473 3.201 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246807614 1104683931 /nfs/dbraw/zinc/68/39/31/1104683931.db2.gz SSERQSYNSLFTQG-FQEVSTJZSA-N 2 0 323.484 3.487 20 30 DGEDRP CCCCCCC[C@@H](C)[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001246810851 1104685882 /nfs/dbraw/zinc/68/58/82/1104685882.db2.gz CCVZXPSUFPPZTO-GOSISDBHSA-N 2 0 309.542 3.495 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001275290713 1104707243 /nfs/dbraw/zinc/70/72/43/1104707243.db2.gz YJMHHQXDUGQGGQ-UHFFFAOYSA-N 2 0 309.457 3.399 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001246885379 1104723273 /nfs/dbraw/zinc/72/32/73/1104723273.db2.gz GBRZGIYRZAYGAI-GOSISDBHSA-N 2 0 309.542 3.495 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275708473 1104873815 /nfs/dbraw/zinc/87/38/15/1104873815.db2.gz YIWVBBDINAMMGE-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP C=CCOc1ccccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275707864 1104874728 /nfs/dbraw/zinc/87/47/28/1104874728.db2.gz BDLVVRFSAQAHJN-IBGZPJMESA-N 2 0 300.446 3.169 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC001276238988 1105057457 /nfs/dbraw/zinc/05/74/57/1105057457.db2.gz VBQFMOCIXUPGLJ-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001248753163 1105155931 /nfs/dbraw/zinc/15/59/31/1105155931.db2.gz VEZIFAKXMDCPHW-UHFFFAOYSA-N 2 0 320.440 3.146 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001249430028 1105286710 /nfs/dbraw/zinc/28/67/10/1105286710.db2.gz ASFNFNWOSBLITD-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253252595 1105912139 /nfs/dbraw/zinc/91/21/39/1105912139.db2.gz YUXFKQXMPLRUQX-LJQANCHMSA-N 2 0 308.510 3.480 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254349866 1106058011 /nfs/dbraw/zinc/05/80/11/1106058011.db2.gz UIZQPXIUKDFMQX-BMHOQUIDSA-N 2 0 315.436 3.389 20 30 DGEDRP C[NH+](C)CCC[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353225 1106058877 /nfs/dbraw/zinc/05/88/77/1106058877.db2.gz WQFSDPWYNUFMGP-UHFFFAOYSA-N 2 0 317.452 3.413 20 30 DGEDRP CC[C@H](CC#N)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162062 1106195006 /nfs/dbraw/zinc/19/50/06/1106195006.db2.gz GCXYBFABAPIAQU-GUDVDZBRSA-N 2 0 310.445 3.322 20 30 DGEDRP CC[C@@H](CC#N)[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162631 1106195616 /nfs/dbraw/zinc/19/56/16/1106195616.db2.gz VACUZUAERSBGCC-BZSNNMDCSA-N 2 0 315.461 3.459 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255278389 1106215067 /nfs/dbraw/zinc/21/50/67/1106215067.db2.gz DBUJTPVVTAUHPO-BZSNNMDCSA-N 2 0 315.486 3.136 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1ccccc1F ZINC001255841773 1106326124 /nfs/dbraw/zinc/32/61/24/1106326124.db2.gz KLFOISSGWGAIOL-CQSZACIVSA-N 2 0 313.420 3.424 20 30 DGEDRP C[NH+](C)Cc1ccc(CSCC[NH2+]C2CCC(C#N)CC2)o1 ZINC001256955274 1106515259 /nfs/dbraw/zinc/51/52/59/1106515259.db2.gz QWJYZZSUAZXFKX-UHFFFAOYSA-N 2 0 321.490 3.246 20 30 DGEDRP CC(C)C[NH+]1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001258005541 1106656635 /nfs/dbraw/zinc/65/66/35/1106656635.db2.gz UDWFDARFPABTDN-UHFFFAOYSA-N 2 0 315.461 3.037 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001263126969 1107954835 /nfs/dbraw/zinc/95/48/35/1107954835.db2.gz BPSGGFMRDJMYMN-FGTMMUONSA-N 2 0 323.525 3.055 20 30 DGEDRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000278540784 214224017 /nfs/dbraw/zinc/22/40/17/214224017.db2.gz UXXVZSBCIDUQPO-ZDUSSCGKSA-N 2 0 301.409 3.222 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278552765 214231872 /nfs/dbraw/zinc/23/18/72/214231872.db2.gz VYYZJONJLGUAIT-INIZCTEOSA-N 2 0 312.457 3.224 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000411404783 282211134 /nfs/dbraw/zinc/21/11/34/282211134.db2.gz ZJLQWCVDYJOEJI-KZNAEPCWSA-N 2 0 319.493 3.034 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297613921 283058654 /nfs/dbraw/zinc/05/86/54/283058654.db2.gz KVBOZIKNQYKSKL-CVEARBPZSA-N 2 0 306.413 3.049 20 30 DGEDRP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccc1C#N ZINC000443975109 239245174 /nfs/dbraw/zinc/24/51/74/239245174.db2.gz YHPSZZUZWIJXLO-UHFFFAOYSA-N 2 0 323.440 3.097 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000449184730 240056098 /nfs/dbraw/zinc/05/60/98/240056098.db2.gz IHDZLZXLRBHYJZ-UHOSZYNNSA-N 2 0 308.510 3.479 20 30 DGEDRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000183207620 533338953 /nfs/dbraw/zinc/33/89/53/533338953.db2.gz SUIVMOSQUGKNHS-OAHLLOKOSA-N 2 0 313.445 3.114 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595895377 400289068 /nfs/dbraw/zinc/28/90/68/400289068.db2.gz KVTUQQYXEKAPAC-GFCCVEGCSA-N 2 0 311.351 3.138 20 30 DGEDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595894810 400289551 /nfs/dbraw/zinc/28/95/51/400289551.db2.gz XOKAQZQTMCQYJH-LLVKDONJSA-N 2 0 311.351 3.136 20 30 DGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)n1 ZINC000602658465 400527382 /nfs/dbraw/zinc/52/73/82/400527382.db2.gz YHKLQZPDYAYITL-UHFFFAOYSA-N 2 0 308.429 3.037 20 30 DGEDRP N#CC1(c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000597012750 400539308 /nfs/dbraw/zinc/53/93/08/400539308.db2.gz BRLLXDZKKDTMLX-SFHVURJKSA-N 2 0 309.457 3.159 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000591578291 400541762 /nfs/dbraw/zinc/54/17/62/400541762.db2.gz MUVWSXFUAUTNSX-FQEVSTJZSA-N 2 0 303.409 3.329 20 30 DGEDRP C=CCC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccco1 ZINC000635006716 401401123 /nfs/dbraw/zinc/40/11/23/401401123.db2.gz CJUZTCVBKVRMCG-MRXNPFEDSA-N 2 0 312.417 3.204 20 30 DGEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269404622 432169924 /nfs/dbraw/zinc/16/99/24/432169924.db2.gz HGTYKJNHYZUGMZ-HNNXBMFYSA-N 2 0 303.425 3.299 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000246862624 432174921 /nfs/dbraw/zinc/17/49/21/432174921.db2.gz DADHDBWOBZBIHJ-WJFTUGDTSA-N 2 0 307.526 3.003 20 30 DGEDRP CN(C)C(=[NH+]Cc1cccc(C[NH+]2CCCCCC2)c1)N(C)C ZINC000262011285 228641333 /nfs/dbraw/zinc/64/13/33/228641333.db2.gz UIIHDXZWUPPXGV-UHFFFAOYSA-N 2 0 316.493 3.042 20 30 DGEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000350177800 229221053 /nfs/dbraw/zinc/22/10/53/229221053.db2.gz UQYLVUZWNPZXGC-UHFFFAOYSA-N 2 0 315.461 3.143 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000347263957 264186517 /nfs/dbraw/zinc/18/65/17/264186517.db2.gz IGVKQMLZFRKWKU-UHFFFAOYSA-N 2 0 315.461 3.121 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000152947081 432370347 /nfs/dbraw/zinc/37/03/47/432370347.db2.gz UQUYPXPUVQYDPB-HNNXBMFYSA-N 2 0 318.461 3.395 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751338 432529795 /nfs/dbraw/zinc/52/97/95/432529795.db2.gz QNQBKJGPQYFNHE-HOCLYGCPSA-N 2 0 315.436 3.440 20 30 DGEDRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000194190981 432531181 /nfs/dbraw/zinc/53/11/81/432531181.db2.gz KOCPVPYKTXWZAI-DLBZAZTESA-N 2 0 315.461 3.362 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264065695 432611112 /nfs/dbraw/zinc/61/11/12/432611112.db2.gz BDBMSDWYIJENOV-AWEZNQCLSA-N 2 0 300.450 3.021 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264096707 432614950 /nfs/dbraw/zinc/61/49/50/432614950.db2.gz MVUDMKMQVRROBQ-AWEZNQCLSA-N 2 0 314.477 3.022 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178254856 432712515 /nfs/dbraw/zinc/71/25/15/432712515.db2.gz QNRKWIOVMMTWAB-INIZCTEOSA-N 2 0 312.457 3.224 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000278535409 432897306 /nfs/dbraw/zinc/89/73/06/432897306.db2.gz FOBABAQWKFEWED-MSOLQXFVSA-N 2 0 312.461 3.312 20 30 DGEDRP C=CCCCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974402 433360176 /nfs/dbraw/zinc/36/01/76/433360176.db2.gz DOGXFCXFTRWYND-UHFFFAOYSA-N 2 0 307.526 3.225 20 30 DGEDRP C[N@@H+](Cc1cccc(C#N)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354883760 433342801 /nfs/dbraw/zinc/34/28/01/433342801.db2.gz XWLLWGZMYOTSAU-UHFFFAOYSA-N 2 0 320.440 3.302 20 30 DGEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1F ZINC000421329318 433480700 /nfs/dbraw/zinc/48/07/00/433480700.db2.gz VFDUNZKNTFAUKD-UHFFFAOYSA-N 2 0 303.425 3.443 20 30 DGEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421332525 433480740 /nfs/dbraw/zinc/48/07/40/433480740.db2.gz MDPLLWASRJNFLK-HNNXBMFYSA-N 2 0 303.425 3.299 20 30 DGEDRP COc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215837 433532788 /nfs/dbraw/zinc/53/27/88/433532788.db2.gz HOXQDSBMDZRTDV-SFHVURJKSA-N 2 0 313.445 3.017 20 30 DGEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1F ZINC000421344930 433489092 /nfs/dbraw/zinc/48/90/92/433489092.db2.gz VGRVWNXDZDDLIE-UHFFFAOYSA-N 2 0 315.367 3.188 20 30 DGEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304809940 434018451 /nfs/dbraw/zinc/01/84/51/434018451.db2.gz VZTMGQOKXPTGEO-ZBFHGGJFSA-N 2 0 322.522 3.081 20 30 DGEDRP C#CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294328383 434087295 /nfs/dbraw/zinc/08/72/95/434087295.db2.gz XMRGGFNPXNIXHT-HXUWFJFHSA-N 2 0 305.425 3.405 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422913260 434106982 /nfs/dbraw/zinc/10/69/82/434106982.db2.gz XZZBPVXAIDBJPT-CQSZACIVSA-N 2 0 311.429 3.264 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422999713 434158909 /nfs/dbraw/zinc/15/89/09/434158909.db2.gz YHEGWMFBHAYXKP-SJORKVTESA-N 2 0 303.475 3.041 20 30 DGEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476774 434439637 /nfs/dbraw/zinc/43/96/37/434439637.db2.gz RJMHGPKTIDOMJH-OPNNQBFTSA-N 2 0 315.436 3.191 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424321627 434696339 /nfs/dbraw/zinc/69/63/39/434696339.db2.gz HIFBTVAIJWBIBD-JAZQRGJZSA-N 2 0 309.457 3.179 20 30 DGEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000665236986 435924394 /nfs/dbraw/zinc/92/43/94/435924394.db2.gz XSWZQLKLQJACBE-RCCFBDPRSA-N 2 0 306.494 3.260 20 30 DGEDRP C=CCc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(OC)c1O ZINC000650711223 435998502 /nfs/dbraw/zinc/99/85/02/435998502.db2.gz MIEXGIBFSOIXHC-WMLDXEAASA-N 2 0 318.461 3.079 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786263 436044150 /nfs/dbraw/zinc/04/41/50/436044150.db2.gz RABAVJJTGCWHDD-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647481031 436062483 /nfs/dbraw/zinc/06/24/83/436062483.db2.gz SGJHZBRUCOARPH-PKOBYXMFSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658068477 436364834 /nfs/dbraw/zinc/36/48/34/436364834.db2.gz WUROLDZQVQGTLV-IBGZPJMESA-N 2 0 306.494 3.212 20 30 DGEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139523 436385961 /nfs/dbraw/zinc/38/59/61/436385961.db2.gz MRUHJYOSPVAMMW-VQTJNVASSA-N 2 0 316.489 3.478 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959753 335098325 /nfs/dbraw/zinc/09/83/25/335098325.db2.gz LIHRROVDJAYYFD-SFHVURJKSA-N 2 0 302.849 3.109 20 30 DGEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295259283 335134456 /nfs/dbraw/zinc/13/44/56/335134456.db2.gz BQRQTWSJDYVIFI-UHFFFAOYSA-N 2 0 302.462 3.044 20 30 DGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293730660 334201520 /nfs/dbraw/zinc/20/15/20/334201520.db2.gz GQVCFZIAGWKIRI-PKOBYXMFSA-N 2 0 312.461 3.312 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449549016 534576604 /nfs/dbraw/zinc/57/66/04/534576604.db2.gz SZKYDUSVUWBWDC-AFYVEPGGSA-N 2 0 314.473 3.220 20 30 DGEDRP C=CCCCC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000472041200 534691138 /nfs/dbraw/zinc/69/11/38/534691138.db2.gz CXEMXNVPRYHJQP-UHFFFAOYSA-N 2 0 301.478 3.274 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449103947 534695253 /nfs/dbraw/zinc/69/52/53/534695253.db2.gz CMLMVYHAVGDWKN-QGZVFWFLSA-N 2 0 316.493 3.058 20 30 DGEDRP CC(C)(CCC#N)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000180274879 526998183 /nfs/dbraw/zinc/99/81/83/526998183.db2.gz QKSKNIQCDBZJFV-UHFFFAOYSA-N 2 0 300.450 3.218 20 30 DGEDRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000183207489 527963942 /nfs/dbraw/zinc/96/39/42/527963942.db2.gz XRJMVISIDRFLFD-MRXNPFEDSA-N 2 0 315.461 3.360 20 30 DGEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449108794 535914436 /nfs/dbraw/zinc/91/44/36/535914436.db2.gz VTHPLNQJPCIROV-UHFFFAOYSA-N 2 0 315.461 3.189 20 30 DGEDRP Cc1ccncc1[C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1cnccc1C ZINC000671243008 547780740 /nfs/dbraw/zinc/78/07/40/547780740.db2.gz FRQYRIIHDQVRRS-HDICACEKSA-N 2 0 322.456 3.098 20 30 DGEDRP C=C(C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000675783821 548270697 /nfs/dbraw/zinc/27/06/97/548270697.db2.gz UBJNZJSRJSUULW-ICSRJNTNSA-N 2 0 316.489 3.426 20 30 DGEDRP C=CCCC[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678722478 548752853 /nfs/dbraw/zinc/75/28/53/548752853.db2.gz ZCFIPBXCOLPPMY-GOSISDBHSA-N 2 0 307.526 3.222 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000685412699 549755483 /nfs/dbraw/zinc/75/54/83/549755483.db2.gz YSXHLVGOHMHQAY-SJORKVTESA-N 2 0 322.518 3.137 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000733324499 574616011 /nfs/dbraw/zinc/61/60/11/574616011.db2.gz GDJMOJYDPWHPCQ-QZTJIDSGSA-N 2 0 314.473 3.156 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886358 574944956 /nfs/dbraw/zinc/94/49/56/574944956.db2.gz OCNXFHLLUVXCJM-FUHWJXTLSA-N 2 0 315.461 3.132 20 30 DGEDRP C#CCC[N@@H+](CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000852750543 620645513 /nfs/dbraw/zinc/64/55/13/620645513.db2.gz YBQWSLRQNYXTSY-UHFFFAOYSA-N 2 0 314.473 3.144 20 30 DGEDRP CC1(C)C[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@@H]([NH3+])C1 ZINC000925623733 618512946 /nfs/dbraw/zinc/51/29/46/618512946.db2.gz WNJLOKLOFLSQBW-SJORKVTESA-N 2 0 317.502 3.287 20 30 DGEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361910 619627438 /nfs/dbraw/zinc/62/74/38/619627438.db2.gz OCNXSPHWQWNYRH-SJORKVTESA-N 2 0 315.461 3.235 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@]1(C)CCCCO1 ZINC000902741962 619668949 /nfs/dbraw/zinc/66/89/49/619668949.db2.gz JIQJFWJFOOCSIJ-NEWSRXKRSA-N 2 0 306.494 3.354 20 30 DGEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902802096 619675495 /nfs/dbraw/zinc/67/54/95/619675495.db2.gz IBUKLKRXZWUOHP-INIZCTEOSA-N 2 0 300.450 3.260 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903077506 619712379 /nfs/dbraw/zinc/71/23/79/619712379.db2.gz KKSZANLQWRAQTH-OAHLLOKOSA-N 2 0 300.450 3.114 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453958 619779236 /nfs/dbraw/zinc/77/92/36/619779236.db2.gz QDRCUBFDGPJRHP-NVXWUHKLSA-N 2 0 303.837 3.176 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000903765118 619809334 /nfs/dbraw/zinc/80/93/34/619809334.db2.gz YJEHVWQGAGXDRM-BZSNNMDCSA-N 2 0 319.493 3.069 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000911682903 620341198 /nfs/dbraw/zinc/34/11/98/620341198.db2.gz RQDWCHWYUUWKKY-INIZCTEOSA-N 2 0 305.466 3.422 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000911682904 620341312 /nfs/dbraw/zinc/34/13/12/620341312.db2.gz RQDWCHWYUUWKKY-MRXNPFEDSA-N 2 0 305.466 3.422 20 30 DGEDRP C=C(CC)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604186 621007693 /nfs/dbraw/zinc/00/76/93/621007693.db2.gz SWEGQMSXEDRQGS-LJQANCHMSA-N 2 0 317.477 3.341 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000922265385 621015000 /nfs/dbraw/zinc/01/50/00/621015000.db2.gz AVWNZSRVCNVHEG-UHFFFAOYSA-N 2 0 311.473 3.387 20 30 DGEDRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCCC#N)ccc1OC ZINC000753736054 621462514 /nfs/dbraw/zinc/46/25/14/621462514.db2.gz YEIPYPNFULNWDK-OAHLLOKOSA-N 2 0 303.450 3.491 20 30 DGEDRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1C#N ZINC000865717392 621982680 /nfs/dbraw/zinc/98/26/80/621982680.db2.gz XRKFWKJVNRWAEY-UHFFFAOYSA-N 2 0 315.461 3.167 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873222132 623079523 /nfs/dbraw/zinc/07/95/23/623079523.db2.gz ASPACVRSLRBHCE-ZDUSSCGKSA-N 2 0 308.853 3.383 20 30 DGEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244243 623089382 /nfs/dbraw/zinc/08/93/82/623089382.db2.gz KORXFSXIPJGGPE-GDBMZVCRSA-N 2 0 301.434 3.018 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000778179640 623621304 /nfs/dbraw/zinc/62/13/04/623621304.db2.gz XYOGPECRYUALSV-UHFFFAOYSA-N 2 0 320.864 3.174 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877697040 623994882 /nfs/dbraw/zinc/99/48/82/623994882.db2.gz GHLAOHZMAZBSLJ-UHFFFAOYSA-N 2 0 320.868 3.207 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000784670341 624568296 /nfs/dbraw/zinc/56/82/96/624568296.db2.gz JLBUHSQNUUSVSQ-GOSISDBHSA-N 2 0 314.473 3.443 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000883167538 625951325 /nfs/dbraw/zinc/95/13/25/625951325.db2.gz AJKWLPYXLRYIQM-RTBURBONSA-N 2 0 302.462 3.352 20 30 DGEDRP C=CCCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000883187685 625960984 /nfs/dbraw/zinc/96/09/84/625960984.db2.gz TZXQYONROMXNAW-ICSRJNTNSA-N 2 0 315.505 3.310 20 30 DGEDRP C#CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956968 626262305 /nfs/dbraw/zinc/26/23/05/626262305.db2.gz SAKGNNSZFZXROM-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP C=CC[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000883435842 626682177 /nfs/dbraw/zinc/68/21/77/626682177.db2.gz DVLODVMNARFVMH-AWEZNQCLSA-N 2 0 302.466 3.021 20 30 DGEDRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809754514 626946775 /nfs/dbraw/zinc/94/67/75/626946775.db2.gz ATWBJHUXPOUVPI-INIZCTEOSA-N 2 0 303.450 3.141 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000924774873 627678679 /nfs/dbraw/zinc/67/86/79/627678679.db2.gz FGCXHRWAKSNZNX-ZDUSSCGKSA-N 2 0 300.381 3.429 20 30 DGEDRP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926154597 627852210 /nfs/dbraw/zinc/85/22/10/627852210.db2.gz UCRRJAGFZOZTCR-UMQXSMKFSA-N 2 0 314.473 3.099 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000817945440 627970464 /nfs/dbraw/zinc/97/04/64/627970464.db2.gz CSAPGJWMEQKXSD-LSDHHAIUSA-N 2 0 308.853 3.468 20 30 DGEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961717 627976649 /nfs/dbraw/zinc/97/66/49/627976649.db2.gz ATDDFUFCJRDVHS-GJZGRUSLSA-N 2 0 309.413 3.459 20 30 DGEDRP C=CCCCCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000817982374 627983518 /nfs/dbraw/zinc/98/35/18/627983518.db2.gz CXCKRMDRQSLVIX-LMDPOFIKSA-N 2 0 307.526 3.317 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000834902462 629804000 /nfs/dbraw/zinc/80/40/00/629804000.db2.gz IMVPOQDTQQPOHI-KRWDZBQOSA-N 2 0 322.452 3.459 20 30 DGEDRP CC[N@@H+]1CCC[C@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849056914 631821450 /nfs/dbraw/zinc/82/14/50/631821450.db2.gz DRQGDXDSNNCQGG-SFHVURJKSA-N 2 0 314.477 3.425 20 30 DGEDRP C=CCCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850416777 632145933 /nfs/dbraw/zinc/14/59/33/632145933.db2.gz CMXRGNWQTAIYAJ-UHFFFAOYSA-N 2 0 301.478 3.273 20 30 DGEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCCC1 ZINC000262328420 655814404 /nfs/dbraw/zinc/81/44/04/655814404.db2.gz XLORAXGXNVMUPU-MRXNPFEDSA-N 2 0 324.419 3.202 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000157394450 655822960 /nfs/dbraw/zinc/82/29/60/655822960.db2.gz WIZBCOXBJHDVNV-KRWDZBQOSA-N 2 0 316.493 3.398 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303259143 657526097 /nfs/dbraw/zinc/52/60/97/657526097.db2.gz LUEVNBHNHPJTMY-HOTGVXAUSA-N 2 0 316.493 3.264 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303261217 657526211 /nfs/dbraw/zinc/52/62/11/657526211.db2.gz OCKFJOQUNHRGLP-INIZCTEOSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303267068 657526492 /nfs/dbraw/zinc/52/64/92/657526492.db2.gz WQRIZZKVAUTVMR-JKSUJKDBSA-N 2 0 316.493 3.264 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303778958 657562639 /nfs/dbraw/zinc/56/26/39/657562639.db2.gz KEGQIZKSISDFMC-MRXNPFEDSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303789467 657564128 /nfs/dbraw/zinc/56/41/28/657564128.db2.gz VJJQHFLDORPACR-INIZCTEOSA-N 2 0 316.493 3.075 20 30 DGEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303888746 657572860 /nfs/dbraw/zinc/57/28/60/657572860.db2.gz PCCXEBSVPWMREX-QGZVFWFLSA-N 2 0 310.530 3.372 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000303901562 657577252 /nfs/dbraw/zinc/57/72/52/657577252.db2.gz SUBQUJMQJKDXNO-GASCZTMLSA-N 2 0 316.493 3.398 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000303901074 657577575 /nfs/dbraw/zinc/57/75/75/657577575.db2.gz XCUHWVJCPUUAML-HNNXBMFYSA-N 2 0 302.466 3.098 20 30 DGEDRP CCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303973818 657581988 /nfs/dbraw/zinc/58/19/88/657581988.db2.gz HGSWCDFOIIKIQA-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000304756375 657647112 /nfs/dbraw/zinc/64/71/12/657647112.db2.gz NRECDBFKVZCFNS-GJZGRUSLSA-N 2 0 302.466 3.269 20 30 DGEDRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCCCCC1 ZINC000305067394 657671747 /nfs/dbraw/zinc/67/17/47/657671747.db2.gz NKFUXOVISUBXEX-GOSISDBHSA-N 2 0 314.477 3.014 20 30 DGEDRP CCNC(NCc1cccc(C[NH+]2CCCCCC2)c1)=[NH+]CC ZINC000303393794 657677788 /nfs/dbraw/zinc/67/77/88/657677788.db2.gz ZXTZMZYSQHTUGI-UHFFFAOYSA-N 2 0 316.493 3.138 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237370222 658377113 /nfs/dbraw/zinc/37/71/13/658377113.db2.gz GMHQWTHFURFSOK-SFHVURJKSA-N 2 0 314.473 3.300 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000057964686 659040882 /nfs/dbraw/zinc/04/08/82/659040882.db2.gz HWGNUSPXZOMPQF-QGZVFWFLSA-N 2 0 318.461 3.082 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929762051 661335893 /nfs/dbraw/zinc/33/58/93/661335893.db2.gz BRNFNNLCZMLSDU-SFHVURJKSA-N 2 0 311.473 3.339 20 30 DGEDRP CCCCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000157701835 661868630 /nfs/dbraw/zinc/86/86/30/661868630.db2.gz LKWTTYSJBCUSOM-OALUTQOASA-N 2 0 309.542 3.447 20 30 DGEDRP C[C@H](CCNC(=[NH2+])Nc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000081781034 662173057 /nfs/dbraw/zinc/17/30/57/662173057.db2.gz PKQMZDOSXSTAHX-MRXNPFEDSA-N 2 0 310.445 3.324 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001577426208 1191900426 /nfs/dbraw/zinc/90/04/26/1191900426.db2.gz ITFGZEPGSJRNQH-HZPDHXFCSA-N 2 0 310.482 3.010 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C[NH3+] ZINC001579440507 1191976638 /nfs/dbraw/zinc/97/66/38/1191976638.db2.gz FZRPIRJFXOTSIO-DNVCBOLYSA-N 2 0 305.425 3.252 20 30 DGEDRP N#CC1(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCCCC1 ZINC001580038819 1192004027 /nfs/dbraw/zinc/00/40/27/1192004027.db2.gz TXMPVCDGDOOLHQ-KSZLIROESA-N 2 0 319.493 3.069 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001333840809 1178683409 /nfs/dbraw/zinc/68/34/09/1178683409.db2.gz IKIHZIMUGQOIRD-GBESFXJTSA-N 2 0 314.473 3.414 20 30 DGEDRP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001499992328 1185729095 /nfs/dbraw/zinc/72/90/95/1185729095.db2.gz QMYQHUVATTWUJO-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001575338550 1191476044 /nfs/dbraw/zinc/47/60/44/1191476044.db2.gz QFGKRDPBOFAABL-UHFFFAOYSA-N 2 0 319.452 3.315 20 30 DGEDRP C=CCCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657649043 1196164401 /nfs/dbraw/zinc/16/44/01/1196164401.db2.gz IXUJTVZRLXMLFX-KRWDZBQOSA-N 2 0 301.478 3.273 20 30 DGEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC001660251684 1196462616 /nfs/dbraw/zinc/46/26/16/1196462616.db2.gz ZWRDQCVJNTWDBJ-IQPQKUJJSA-N 2 0 323.484 3.320 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000303880999 1199601031 /nfs/dbraw/zinc/60/10/31/1199601031.db2.gz HHFJHEUXFSUXFA-SFHVURJKSA-N 2 0 316.493 3.478 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000303886101 1199601522 /nfs/dbraw/zinc/60/15/22/1199601522.db2.gz KBJNOEGVJVYQOY-KRWDZBQOSA-N 2 0 302.466 3.232 20 30 DGEDRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC000125687819 1200457188 /nfs/dbraw/zinc/45/71/88/1200457188.db2.gz RGVUYSXEDGVQPE-UHFFFAOYSA-N 2 0 319.452 3.462 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001169781047 1081654074 /nfs/dbraw/zinc/65/40/74/1081654074.db2.gz QLVUHDNIJCJIQM-UHFFFAOYSA-N 2 0 311.473 3.483 20 30 DGEDRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170383851 1082364744 /nfs/dbraw/zinc/36/47/44/1082364744.db2.gz QCRBDBMQKFGFLS-BDWAOYLISA-N 2 0 323.484 3.274 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369495 1083280509 /nfs/dbraw/zinc/28/05/09/1083280509.db2.gz NHLMPEYALGRMGW-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183390137 1083935119 /nfs/dbraw/zinc/93/51/19/1083935119.db2.gz HYLCDOUGUJAEFT-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483338559 1087475550 /nfs/dbraw/zinc/47/55/50/1087475550.db2.gz GGCIQADBEDPRIX-IRXDYDNUSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367658 1088234195 /nfs/dbraw/zinc/23/41/95/1088234195.db2.gz BAWMIQMUGPAKNA-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827976 1088375577 /nfs/dbraw/zinc/37/55/77/1088375577.db2.gz DRCPEYOTAUOCFS-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619911 1089188940 /nfs/dbraw/zinc/18/89/40/1089188940.db2.gz BUCIWNXSAXXPOF-MSOLQXFVSA-N 2 0 323.525 3.042 20 30 DGEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1cc2[nH]ccc2c(C)[nH+]1 ZINC001163473820 1090194008 /nfs/dbraw/zinc/19/40/08/1090194008.db2.gz WWMZUVALNHFWLC-UHFFFAOYSA-N 2 0 307.401 3.361 20 30 DGEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC001204359693 1090956090 /nfs/dbraw/zinc/95/60/90/1090956090.db2.gz QIZPBIQVRMMLGK-WOJBJXKFSA-N 2 0 311.473 3.490 20 30 DGEDRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205102537 1091102851 /nfs/dbraw/zinc/10/28/51/1091102851.db2.gz STWMGJLFEHPIHV-NRFANRHFSA-N 2 0 304.437 3.400 20 30 DGEDRP C=CCc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1O ZINC001206588851 1091679423 /nfs/dbraw/zinc/67/94/23/1091679423.db2.gz CRUANJHODVRCGZ-GOSISDBHSA-N 2 0 302.462 3.473 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727890 1091713655 /nfs/dbraw/zinc/71/36/55/1091713655.db2.gz MSCFRVWTHIBIDR-UHFFFAOYSA-N 2 0 302.462 3.307 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001140137617 1091781533 /nfs/dbraw/zinc/78/15/33/1091781533.db2.gz OTPFDRQPLFEALY-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP C[NH+]1CCC(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001207398382 1091954253 /nfs/dbraw/zinc/95/42/53/1091954253.db2.gz LSACUQJLUMRFAN-UHFFFAOYSA-N 2 0 311.473 3.155 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC/C=C\CC)CC1 ZINC001208138649 1092213723 /nfs/dbraw/zinc/21/37/23/1092213723.db2.gz QIJWYKUKFVCMLB-FPLPWBNLSA-N 2 0 305.510 3.024 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341351 1092320097 /nfs/dbraw/zinc/32/00/97/1092320097.db2.gz ZNAXPCQYYOXKCS-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCCC[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001209440577 1092775654 /nfs/dbraw/zinc/77/56/54/1092775654.db2.gz MACSQVPMICYZGP-UHFFFAOYSA-N 2 0 319.537 3.415 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081047 1094392678 /nfs/dbraw/zinc/39/26/78/1094392678.db2.gz GFWAKBVPDDNJJL-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336637 1094494844 /nfs/dbraw/zinc/49/48/44/1094494844.db2.gz FMTFUVCRHVEVCA-UHFFFAOYSA-N 2 0 319.493 3.038 20 30 DGEDRP C=CCCCCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707978 1095345922 /nfs/dbraw/zinc/34/59/22/1095345922.db2.gz HQCMHBAASNSGGD-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178657 1095651547 /nfs/dbraw/zinc/65/15/47/1095651547.db2.gz JCOCOGKEURUGMP-FGTMMUONSA-N 2 0 313.489 3.447 20 30 DGEDRP [NH2+]=C(Nc1ccccc1CC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171182136 1095655496 /nfs/dbraw/zinc/65/54/96/1095655496.db2.gz IRDWJTIKUFTXIO-UHFFFAOYSA-N 2 0 305.381 3.084 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001171192706 1095682786 /nfs/dbraw/zinc/68/27/86/1095682786.db2.gz ABSNZRUVHOPFFN-AWEZNQCLSA-N 2 0 304.397 3.213 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001171193717 1095694931 /nfs/dbraw/zinc/69/49/31/1095694931.db2.gz YNMWZLOXQDYQAN-INIZCTEOSA-N 2 0 311.473 3.486 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398629 1096032003 /nfs/dbraw/zinc/03/20/03/1096032003.db2.gz PLWRLXMDRRWLMJ-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398298 1096032224 /nfs/dbraw/zinc/03/22/24/1096032224.db2.gz NQJYPARELOIDDY-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330689 1096362525 /nfs/dbraw/zinc/36/25/25/1096362525.db2.gz ULWFOLPFSGTMPT-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150386 1096880800 /nfs/dbraw/zinc/88/08/00/1096880800.db2.gz PUVLJJRYABHSFF-BRWVUGGUSA-N 2 0 323.525 3.088 20 30 DGEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171619206 1096935014 /nfs/dbraw/zinc/93/50/14/1096935014.db2.gz RGPGRNFEEZRIOO-INIZCTEOSA-N 2 0 323.525 3.090 20 30 DGEDRP C[NH+]1C(C)(C)CC([NH2+]CCOc2ccccc2C#N)CC1(C)C ZINC001171625503 1096937592 /nfs/dbraw/zinc/93/75/92/1096937592.db2.gz KCUJMKOJENQSQL-UHFFFAOYSA-N 2 0 315.461 3.178 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001172118628 1097065003 /nfs/dbraw/zinc/06/50/03/1097065003.db2.gz SNZRRNNFGAXGHF-PIIMJCKOSA-N 2 0 322.456 3.202 20 30 DGEDRP CC[C@H](C)OCC[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001172339150 1097118536 /nfs/dbraw/zinc/11/85/36/1097118536.db2.gz NYPCTVCWRGNDEC-GJZGRUSLSA-N 2 0 305.466 3.247 20 30 DGEDRP C[C@@H](CCCC#N)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172475792 1097148679 /nfs/dbraw/zinc/14/86/79/1097148679.db2.gz BUJIFTKQQDJOCL-AWEZNQCLSA-N 2 0 309.479 3.246 20 30 DGEDRP C=CCOC1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173311711 1097408011 /nfs/dbraw/zinc/40/80/11/1097408011.db2.gz OMVUDWCEFSSSTG-LPOKXYRGSA-N 2 0 308.510 3.458 20 30 DGEDRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001232150054 1097951636 /nfs/dbraw/zinc/95/16/36/1097951636.db2.gz RQSDDWTWNVYDPV-UHFFFAOYSA-N 2 0 311.404 3.391 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318915 1098323822 /nfs/dbraw/zinc/32/38/22/1098323822.db2.gz QDFNBLKNOTUNRY-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277808341 1098433114 /nfs/dbraw/zinc/43/31/14/1098433114.db2.gz WGEYBGVREIJGBU-LZQZEXGQSA-N 2 0 314.477 3.220 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042952 1098770082 /nfs/dbraw/zinc/77/00/82/1098770082.db2.gz DBNCAMMPKRAIGP-IBGZPJMESA-N 2 0 300.446 3.360 20 30 DGEDRP C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235154501 1098838896 /nfs/dbraw/zinc/83/88/96/1098838896.db2.gz MAQPRKYLRQOSCQ-HXUWFJFHSA-N 2 0 312.457 3.053 20 30 DGEDRP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]CCCC#N)(C1)CCC2 ZINC001277943249 1099005770 /nfs/dbraw/zinc/00/57/70/1099005770.db2.gz PZKDMMHNJHRCRZ-SJORKVTESA-N 2 0 318.490 3.280 20 30 DGEDRP N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427657 1099019514 /nfs/dbraw/zinc/01/95/14/1099019514.db2.gz MUNPPCFWXUAGOX-CVEARBPZSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427788 1099020359 /nfs/dbraw/zinc/02/03/59/1099020359.db2.gz NNMQZUXYCWBJCW-CABCVRRESA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428678 1099023492 /nfs/dbraw/zinc/02/34/92/1099023492.db2.gz OSQHZPJNCGFFGG-HOTGVXAUSA-N 2 0 317.864 3.423 20 30 DGEDRP C=CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179133799 1099024884 /nfs/dbraw/zinc/02/48/84/1099024884.db2.gz APVFXLCWVYWXCB-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212765 1099037797 /nfs/dbraw/zinc/03/77/97/1099037797.db2.gz VFYOTVIPABWUBA-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc2c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c[nH]c2c1 ZINC001235705514 1099138426 /nfs/dbraw/zinc/13/84/26/1099138426.db2.gz KIEKMMIJFDSDCM-UHFFFAOYSA-N 2 0 322.456 3.251 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180357448 1099381532 /nfs/dbraw/zinc/38/15/32/1099381532.db2.gz VMSHZPSHTQVDBD-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1N1CC[NH2+]CC1)C1CCCCC1 ZINC001236433144 1099608949 /nfs/dbraw/zinc/60/89/49/1099608949.db2.gz FXIJMUVMDASATB-UHFFFAOYSA-N 2 0 313.489 3.417 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188100559 1099686228 /nfs/dbraw/zinc/68/62/28/1099686228.db2.gz WJWFQLRSVVANMC-GOSISDBHSA-N 2 0 323.525 3.023 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001188138712 1099694848 /nfs/dbraw/zinc/69/48/48/1099694848.db2.gz ACEZPSSXAPOFBM-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@H]12 ZINC001236829863 1099814110 /nfs/dbraw/zinc/81/41/10/1099814110.db2.gz LICQSOVMBHFQBM-BHIFYINESA-N 2 0 316.448 3.256 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@H]12 ZINC001236829864 1099814637 /nfs/dbraw/zinc/81/46/37/1099814637.db2.gz LICQSOVMBHFQBM-FDFHNCONSA-N 2 0 316.448 3.256 20 30 DGEDRP CCCCCCCCCOC(=O)NCCC[N@H+](C)CCC[NH3+] ZINC001239321592 1100631265 /nfs/dbraw/zinc/63/12/65/1100631265.db2.gz XLQZTXBQCWCKOZ-UHFFFAOYSA-N 2 0 315.502 3.134 20 30 DGEDRP C=CC[N@@H+](CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001193990736 1100847492 /nfs/dbraw/zinc/84/74/92/1100847492.db2.gz QGPVRPQQKBHBCR-UHFFFAOYSA-N 2 0 302.462 3.307 20 30 DGEDRP N#Cc1ccc(CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001197264008 1101512871 /nfs/dbraw/zinc/51/28/71/1101512871.db2.gz JCTQCSRWLRJVFT-HXUWFJFHSA-N 2 0 316.408 3.328 20 30 DGEDRP N#Cc1c2c(cnc1C1=CC[C@@H]([NH+]3CCCC3)CC1)C[NH2+]CCC2 ZINC001242687506 1102285053 /nfs/dbraw/zinc/28/50/53/1102285053.db2.gz YMXKDURTBDZQLK-QGZVFWFLSA-N 2 0 322.456 3.021 20 30 DGEDRP C[NH2+]Cc1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001242996113 1102463135 /nfs/dbraw/zinc/46/31/35/1102463135.db2.gz VBDCBGWDQWMIOD-UHFFFAOYSA-N 2 0 321.424 3.075 20 30 DGEDRP C[C@@H](C#N)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201666696 1102677874 /nfs/dbraw/zinc/67/78/74/1102677874.db2.gz WAJRDUJACMRCGU-HNNXBMFYSA-N 2 0 321.428 3.204 20 30 DGEDRP CCc1cc(C#N)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201665168 1102692328 /nfs/dbraw/zinc/69/23/28/1102692328.db2.gz ALCDKRZEKKDPTO-UHFFFAOYSA-N 2 0 321.428 3.011 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171443 1103062477 /nfs/dbraw/zinc/06/24/77/1103062477.db2.gz DSHPGEJJODMZRQ-KURKYZTESA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001258039112 1103117441 /nfs/dbraw/zinc/11/74/41/1103117441.db2.gz KSRNTSJTFLNGII-QGZVFWFLSA-N 2 0 302.503 3.097 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]CC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245980085 1104345752 /nfs/dbraw/zinc/34/57/52/1104345752.db2.gz ZNEODVCPJALCPK-CADBVGFASA-N 2 0 310.526 3.323 20 30 DGEDRP CCCCCCCCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245990093 1104347082 /nfs/dbraw/zinc/34/70/82/1104347082.db2.gz OXFPHKUZKLTFTO-RBUKOAKNSA-N 2 0 306.494 3.258 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]CCc1ccc(C[NH3+])cc1 ZINC001246016074 1104351944 /nfs/dbraw/zinc/35/19/44/1104351944.db2.gz FKOXINACQBDHPY-LJQANCHMSA-N 2 0 306.494 3.389 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1F ZINC001246007410 1104353002 /nfs/dbraw/zinc/35/30/02/1104353002.db2.gz ZYOMAIWLADKEAL-SQNIBIBYSA-N 2 0 316.505 3.415 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](C1CC1)C1C[NH2+]C1 ZINC001246018460 1104354424 /nfs/dbraw/zinc/35/44/24/1104354424.db2.gz FUKJWIHMPYPPKI-OALUTQOASA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246039517 1104356058 /nfs/dbraw/zinc/35/60/58/1104356058.db2.gz NEHHQIXEYYRGSI-RCCFBDPRSA-N 2 0 314.489 3.121 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246071246 1104363796 /nfs/dbraw/zinc/36/37/96/1104363796.db2.gz RGFUNPJYDFSFLV-HKUYNNGSSA-N 2 0 308.510 3.338 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246071251 1104364291 /nfs/dbraw/zinc/36/42/91/1104364291.db2.gz RGFUNPJYDFSFLV-IEBWSBKVSA-N 2 0 308.510 3.338 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001246094921 1104381920 /nfs/dbraw/zinc/38/19/20/1104381920.db2.gz AQTROHOMSOJGOL-QREPNTDJSA-N 2 0 311.473 3.226 20 30 DGEDRP CC[C@H]1CC([NH2+]CCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331468 1104494073 /nfs/dbraw/zinc/49/40/73/1104494073.db2.gz XHCYHZXTFLVJRE-IRXDYDNUSA-N 2 0 315.461 3.226 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246397056 1104525190 /nfs/dbraw/zinc/52/51/90/1104525190.db2.gz CXZUGEGMORYTFW-BVGQSLNGSA-N 2 0 301.409 3.148 20 30 DGEDRP CCCCCCCCCC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246416814 1104533131 /nfs/dbraw/zinc/53/31/31/1104533131.db2.gz MGXSHUBICRRNKR-IRXDYDNUSA-N 2 0 313.530 3.478 20 30 DGEDRP C=CCCCC[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001274974000 1104564110 /nfs/dbraw/zinc/56/41/10/1104564110.db2.gz AYYLGXJVZNYXRB-UHFFFAOYSA-N 2 0 315.461 3.041 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CCC[N@@H+](COCCOC)C2)CC1 ZINC001274974310 1104564449 /nfs/dbraw/zinc/56/44/49/1104564449.db2.gz HCGMFAIKSAANHM-UHFFFAOYSA-N 2 0 324.509 3.141 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246629141 1104637198 /nfs/dbraw/zinc/63/71/98/1104637198.db2.gz PMBSENZSTBOSQR-UHFFFAOYSA-N 2 0 315.436 3.153 20 30 DGEDRP C=CCC[C@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246632953 1104638916 /nfs/dbraw/zinc/63/89/16/1104638916.db2.gz CRFAUADFUHUFCD-INIZCTEOSA-N 2 0 314.473 3.487 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246645408 1104643682 /nfs/dbraw/zinc/64/36/82/1104643682.db2.gz KTRKOJWUWJPZHL-QYZOEREBSA-N 2 0 310.526 3.275 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246665807 1104654801 /nfs/dbraw/zinc/65/48/01/1104654801.db2.gz QNEGSTMTGVWYDB-OXJNMPFZSA-N 2 0 311.473 3.343 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768718 1104666902 /nfs/dbraw/zinc/66/69/02/1104666902.db2.gz GVLQLWAYDPOPHW-LEWJYISDSA-N 2 0 319.452 3.353 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001275708068 1104873798 /nfs/dbraw/zinc/87/37/98/1104873798.db2.gz HPHOTMCDAXDCRX-MOPGFXCFSA-N 2 0 300.446 3.406 20 30 DGEDRP N#Cc1ccccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001275965909 1104970852 /nfs/dbraw/zinc/97/08/52/1104970852.db2.gz TWYRLYKSLLUIOR-UHFFFAOYSA-N 2 0 309.457 3.399 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276039873 1105003063 /nfs/dbraw/zinc/00/30/63/1105003063.db2.gz DOYFVSBKQRNTFU-UHFFFAOYSA-N 2 0 316.493 3.027 20 30 DGEDRP C=CCCCCCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276047882 1105005109 /nfs/dbraw/zinc/00/51/09/1105005109.db2.gz YXPQONQKBAQAJM-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252603518 1105801924 /nfs/dbraw/zinc/80/19/24/1105801924.db2.gz YTNIOPPNKWYURD-FQEVSTJZSA-N 2 0 316.489 3.158 20 30 DGEDRP C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252612504 1105803430 /nfs/dbraw/zinc/80/34/30/1105803430.db2.gz NRZNNWOTQOFMMJ-YRPNKDGESA-N 2 0 314.473 3.099 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252620676 1105805205 /nfs/dbraw/zinc/80/52/05/1105805205.db2.gz NRZNNWOTQOFMMJ-YSTOQKLRSA-N 2 0 314.473 3.099 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001252985830 1105865079 /nfs/dbraw/zinc/86/50/79/1105865079.db2.gz QASMRJQLJODVDE-OTWHNJEPSA-N 2 0 310.526 3.372 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636836 1106118665 /nfs/dbraw/zinc/11/86/65/1106118665.db2.gz NZQJAJBVEHNYOK-FSGKZVOOSA-N 2 0 309.457 3.464 20 30 DGEDRP CC[C@H](CC#N)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001255159842 1106194443 /nfs/dbraw/zinc/19/44/43/1106194443.db2.gz CGVOHNYIZZWWDY-QGZVFWFLSA-N 2 0 303.425 3.320 20 30 DGEDRP CC[C@@H](CC#N)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162459 1106195557 /nfs/dbraw/zinc/19/55/57/1106195557.db2.gz QFQYBKIRYJFJCM-FHWLQOOXSA-N 2 0 310.445 3.322 20 30 DGEDRP CC[C@H](CC#N)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001255170281 1106198566 /nfs/dbraw/zinc/19/85/66/1106198566.db2.gz QNJFVFFBONYAER-GOSISDBHSA-N 2 0 312.461 3.062 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255280042 1106215132 /nfs/dbraw/zinc/21/51/32/1106215132.db2.gz ULMTYNQPDGUTBS-BZSNNMDCSA-N 2 0 315.486 3.136 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC001256371162 1106412223 /nfs/dbraw/zinc/41/22/23/1106412223.db2.gz GQBARFVOHJTMRL-LJQANCHMSA-N 2 0 307.526 3.103 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001316978387 1106840516 /nfs/dbraw/zinc/84/05/16/1106840516.db2.gz WLTPOQWJVPVWNO-MSOLQXFVSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001316978388 1106841610 /nfs/dbraw/zinc/84/16/10/1106841610.db2.gz WLTPOQWJVPVWNO-QZTJIDSGSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001258724512 1106929163 /nfs/dbraw/zinc/92/91/63/1106929163.db2.gz YKDPZYUBFPTZII-INIZCTEOSA-N 2 0 302.462 3.386 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001258724026 1106929593 /nfs/dbraw/zinc/92/95/93/1106929593.db2.gz LIINWTPJFIHXRM-MRXNPFEDSA-N 2 0 302.462 3.386 20 30 DGEDRP C=CCC[C@@H](C)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001258727368 1106932337 /nfs/dbraw/zinc/93/23/37/1106932337.db2.gz FGQLXQCYJWVXRL-QGZVFWFLSA-N 2 0 316.493 3.082 20 30 DGEDRP C=CCOC(=O)[C@H](CC(C)C)N[C@H](C)CCC[NH+](CC)CC ZINC001258899045 1107047192 /nfs/dbraw/zinc/04/71/92/1107047192.db2.gz CMRJRBDMLHLVPR-SJORKVTESA-N 2 0 312.498 3.230 20 30 DGEDRP C#CCCCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001307604829 1111319337 /nfs/dbraw/zinc/31/93/37/1111319337.db2.gz XAZUVRVVCSZORF-UHFFFAOYSA-N 2 0 320.521 3.395 20 30 DGEDRP C=CCc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc(OC)c1O ZINC001308430440 1111428158 /nfs/dbraw/zinc/42/81/58/1111428158.db2.gz DWZVTMMEAVEHRT-UHFFFAOYSA-N 2 0 323.396 3.067 20 30 DGEDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(C#N)c1 ZINC000181627241 199329562 /nfs/dbraw/zinc/32/95/62/199329562.db2.gz ZURAWZKMFKRIAJ-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000174272527 198313536 /nfs/dbraw/zinc/31/35/36/198313536.db2.gz HKGBPCOYYIAFGR-INIZCTEOSA-N 2 0 315.461 3.311 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000339203469 283058814 /nfs/dbraw/zinc/05/88/14/283058814.db2.gz VCVUWNKUHSQPGE-FYQPLNBISA-N 2 0 309.457 3.133 20 30 DGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596649212 400472374 /nfs/dbraw/zinc/47/23/74/400472374.db2.gz CLRCWAGRFAWQCH-GVDBMIGSSA-N 2 0 322.493 3.032 20 30 DGEDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132020 400566288 /nfs/dbraw/zinc/56/62/88/400566288.db2.gz FRLBBUXXLBIXIG-HKUYNNGSSA-N 2 0 309.457 3.158 20 30 DGEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844369 400589909 /nfs/dbraw/zinc/58/99/09/400589909.db2.gz CHQZMZZOFGOACZ-INIZCTEOSA-N 2 0 306.413 3.227 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247064330 432197976 /nfs/dbraw/zinc/19/79/76/432197976.db2.gz VOLZRZNIVBDEOF-MSOLQXFVSA-N 2 0 315.486 3.008 20 30 DGEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000176624898 228316511 /nfs/dbraw/zinc/31/65/11/228316511.db2.gz NIKXYGDOVDXYMN-JXFKEZNVSA-N 2 0 305.425 3.311 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000264064006 228653054 /nfs/dbraw/zinc/65/30/54/228653054.db2.gz ANHNCDOPZBKMPX-INIZCTEOSA-N 2 0 302.466 3.150 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000113318050 431341978 /nfs/dbraw/zinc/34/19/78/431341978.db2.gz XZTUTHOKCVGXQV-UHFFFAOYSA-N 2 0 322.452 3.440 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000123253110 431859950 /nfs/dbraw/zinc/85/99/50/431859950.db2.gz RCABZDQSWGBATB-UHFFFAOYSA-N 2 0 302.437 3.231 20 30 DGEDRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OCC#N)cc1 ZINC000271919919 432428577 /nfs/dbraw/zinc/42/85/77/432428577.db2.gz ZWAYQOIWKLJKPA-HNNXBMFYSA-N 2 0 313.445 3.256 20 30 DGEDRP N#Cc1csc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924088 432429400 /nfs/dbraw/zinc/42/94/00/432429400.db2.gz GJQOCWLLFLLWTE-MRXNPFEDSA-N 2 0 311.454 3.231 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000263854926 432585025 /nfs/dbraw/zinc/58/50/25/432585025.db2.gz TUSUAMKWGUDPPT-UHFFFAOYSA-N 2 0 311.473 3.466 20 30 DGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685841 432649302 /nfs/dbraw/zinc/64/93/02/432649302.db2.gz KSDKNCJAZMMENY-HUUCEWRRSA-N 2 0 305.491 3.467 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCSCC#N ZINC000274845652 432715075 /nfs/dbraw/zinc/71/50/75/432715075.db2.gz POQAADIQWBAKOD-WMZOPIPTSA-N 2 0 317.502 3.133 20 30 DGEDRP N#CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000265633639 432716873 /nfs/dbraw/zinc/71/68/73/432716873.db2.gz GNJQKWBFZDPGPO-SFHVURJKSA-N 2 0 313.445 3.039 20 30 DGEDRP C=CCSCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274954603 432723555 /nfs/dbraw/zinc/72/35/55/432723555.db2.gz VQDRDFLNSTUJTC-SJLPKXTDSA-N 2 0 304.503 3.406 20 30 DGEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000267471564 432834825 /nfs/dbraw/zinc/83/48/25/432834825.db2.gz XYCFXTPIICOCBU-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189578433 432800227 /nfs/dbraw/zinc/80/02/27/432800227.db2.gz USHWGTBYNIETKI-UHFFFAOYSA-N 2 0 310.445 3.028 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181616487 289951607 /nfs/dbraw/zinc/95/16/07/289951607.db2.gz MXAPHMMMCURAHM-ULQDDVLXSA-N 2 0 315.461 3.098 20 30 DGEDRP C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000414168784 433435845 /nfs/dbraw/zinc/43/58/45/433435845.db2.gz RCGYYYAABUVHNT-HNNXBMFYSA-N 2 0 303.450 3.217 20 30 DGEDRP C#CCCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375510827 433481893 /nfs/dbraw/zinc/48/18/93/433481893.db2.gz ZWSWCGMQHBHOOW-UHFFFAOYSA-N 2 0 312.457 3.149 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422558472 433919766 /nfs/dbraw/zinc/91/97/66/433919766.db2.gz ATBHHZCMHXZNGN-VYDXJSESSA-N 2 0 318.461 3.065 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423097473 434220418 /nfs/dbraw/zinc/22/04/18/434220418.db2.gz AZYFRQBAMIICFA-IPMKNSEASA-N 2 0 300.446 3.262 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423097470 434218587 /nfs/dbraw/zinc/21/85/87/434218587.db2.gz AZYFRQBAMIICFA-CEXWTWQISA-N 2 0 300.446 3.262 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423545484 434484688 /nfs/dbraw/zinc/48/46/88/434484688.db2.gz CRCYLHXVHWHVPQ-ZWKOTPCHSA-N 2 0 315.505 3.170 20 30 DGEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438877 434603613 /nfs/dbraw/zinc/60/36/13/434603613.db2.gz DZASPIXSTQKAGE-UHFFFAOYSA-N 2 0 305.853 3.375 20 30 DGEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661114992 435970424 /nfs/dbraw/zinc/97/04/24/435970424.db2.gz NYXHCXXQFMSXJQ-OALUTQOASA-N 2 0 307.526 3.127 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784004 436042229 /nfs/dbraw/zinc/04/22/29/436042229.db2.gz CDHGPCVULCUZPD-GOSISDBHSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650710904 435997221 /nfs/dbraw/zinc/99/72/21/435997221.db2.gz CGWKSMMCDYCMRO-RDJZCZTQSA-N 2 0 318.461 3.209 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658135508 436384336 /nfs/dbraw/zinc/38/43/36/436384336.db2.gz FDBUESLDMNQUDS-UXHICEINSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOCCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000658205790 436400050 /nfs/dbraw/zinc/40/00/50/436400050.db2.gz JQGWSRYUUFVISY-GOSISDBHSA-N 2 0 316.489 3.264 20 30 DGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000293730653 334201444 /nfs/dbraw/zinc/20/14/44/334201444.db2.gz GQVCFZIAGWKIRI-HKUYNNGSSA-N 2 0 312.461 3.312 20 30 DGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293730658 334201461 /nfs/dbraw/zinc/20/14/61/334201461.db2.gz GQVCFZIAGWKIRI-MJGOQNOKSA-N 2 0 312.461 3.312 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1OC ZINC000299395951 526660795 /nfs/dbraw/zinc/66/07/95/526660795.db2.gz ULQSMLQADNZESO-UHFFFAOYSA-N 2 0 306.450 3.082 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC000105458974 526661789 /nfs/dbraw/zinc/66/17/89/526661789.db2.gz RISILMQYZAUJFL-UHFFFAOYSA-N 2 0 318.461 3.082 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000347063623 526865230 /nfs/dbraw/zinc/86/52/30/526865230.db2.gz CFANDALSDBVXPE-ZDUSSCGKSA-N 2 0 308.853 3.464 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679045136 548822656 /nfs/dbraw/zinc/82/26/56/548822656.db2.gz SQTILFBNXWIJPU-UXHICEINSA-N 2 0 316.489 3.348 20 30 DGEDRP C=CCC[C@H](CC)[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679045134 548822704 /nfs/dbraw/zinc/82/27/04/548822704.db2.gz SQTILFBNXWIJPU-PMACEKPBSA-N 2 0 316.489 3.348 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724357 548944652 /nfs/dbraw/zinc/94/46/52/548944652.db2.gz VENFBINQSKUODZ-SLFFLAALSA-N 2 0 314.473 3.079 20 30 DGEDRP C=CCCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000684110825 549581150 /nfs/dbraw/zinc/58/11/50/549581150.db2.gz YWDZIAUUCPGEIL-UHFFFAOYSA-N 2 0 301.478 3.274 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000852740334 620643994 /nfs/dbraw/zinc/64/39/94/620643994.db2.gz BIVNSJDHKRYHPT-UHFFFAOYSA-N 2 0 311.351 3.279 20 30 DGEDRP CN(c1ccccc1C=[NH+]OCC1CCC1)C1CC[NH+](C)CC1 ZINC000853439499 620694737 /nfs/dbraw/zinc/69/47/37/620694737.db2.gz JBGUWHMIUPXJPN-UHFFFAOYSA-N 2 0 315.461 3.368 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925771530 618613521 /nfs/dbraw/zinc/61/35/21/618613521.db2.gz BTNZPITVYQMEIO-IXDOHACOSA-N 2 0 315.486 3.290 20 30 DGEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000900180677 619410102 /nfs/dbraw/zinc/41/01/02/619410102.db2.gz SKRCSXACIOZCLL-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746977 619669392 /nfs/dbraw/zinc/66/93/92/619669392.db2.gz BRAIAOCPGNQLBY-HZPDHXFCSA-N 2 0 300.450 3.258 20 30 DGEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902747712 619669468 /nfs/dbraw/zinc/66/94/68/619669468.db2.gz HMCXERMICNUXQZ-MRXNPFEDSA-N 2 0 300.450 3.116 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000903761532 619809022 /nfs/dbraw/zinc/80/90/22/619809022.db2.gz VPIRUVFFWMWCHX-ROUUACIJSA-N 2 0 319.493 3.069 20 30 DGEDRP N#Cc1ccc(CC[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000903793155 619811666 /nfs/dbraw/zinc/81/16/66/619811666.db2.gz PAZYOVXRZOSWDZ-UHFFFAOYSA-N 2 0 319.452 3.093 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](CC)CC2)c(O)c1 ZINC000920944539 620828439 /nfs/dbraw/zinc/82/84/39/620828439.db2.gz ODRMMTWTDFWUPH-RGEXLXHISA-N 2 0 303.450 3.142 20 30 DGEDRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000922758994 621095192 /nfs/dbraw/zinc/09/51/92/621095192.db2.gz ILTASCHFHWVFNY-UHFFFAOYSA-N 2 0 323.440 3.097 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000862547394 621600132 /nfs/dbraw/zinc/60/01/32/621600132.db2.gz DPGJTRNWJHDDHF-ZHALLVOQSA-N 2 0 306.494 3.048 20 30 DGEDRP C#CCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765702 621991560 /nfs/dbraw/zinc/99/15/60/621991560.db2.gz IHSFVZAHSXZOOH-UHFFFAOYSA-N 2 0 300.446 3.051 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000765426582 622264802 /nfs/dbraw/zinc/26/48/02/622264802.db2.gz NLZIOETZIGSOIW-INIZCTEOSA-N 2 0 312.457 3.366 20 30 DGEDRP C[C@@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000771564019 622776082 /nfs/dbraw/zinc/77/60/82/622776082.db2.gz PPWBIKFHOPXKCP-QGZVFWFLSA-N 2 0 322.456 3.123 20 30 DGEDRP N#Cc1cccc(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000877019859 623767573 /nfs/dbraw/zinc/76/75/73/623767573.db2.gz GKSPGODWYDCCFX-UHFFFAOYSA-N 2 0 300.450 3.089 20 30 DGEDRP N#Cc1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000878987679 624402378 /nfs/dbraw/zinc/40/23/78/624402378.db2.gz JJQFXMQHMAJOII-XRXFAXGQSA-N 2 0 321.468 3.242 20 30 DGEDRP C=CC[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000879018967 624409020 /nfs/dbraw/zinc/40/90/20/624409020.db2.gz LPUPIZFAGSXZLW-VQIMIIECSA-N 2 0 317.477 3.340 20 30 DGEDRP C#CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000784587222 624552942 /nfs/dbraw/zinc/55/29/42/624552942.db2.gz CXFNSBBHRXMBMK-FQEVSTJZSA-N 2 0 316.408 3.430 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886605738 627171398 /nfs/dbraw/zinc/17/13/98/627171398.db2.gz XIZWMZYSGRKXOE-RRENTHDGSA-N 2 0 306.494 3.354 20 30 DGEDRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000926753173 627946906 /nfs/dbraw/zinc/94/69/06/627946906.db2.gz FRTSDRIGDMTTGF-PBHICJAKSA-N 2 0 301.434 3.036 20 30 DGEDRP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926811044 627959468 /nfs/dbraw/zinc/95/94/68/627959468.db2.gz GJSRSJMTSRXZKS-YCRPNKLZSA-N 2 0 319.452 3.438 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817969707 627978454 /nfs/dbraw/zinc/97/84/54/627978454.db2.gz YFRYZLGFZIYKOZ-OAHLLOKOSA-N 2 0 306.409 3.153 20 30 DGEDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000844924917 630988012 /nfs/dbraw/zinc/98/80/12/630988012.db2.gz NJIPHTNVKUPIGZ-HNNXBMFYSA-N 2 0 309.413 3.159 20 30 DGEDRP c1ccc(NC(=[NH+]CC[NH+]2CCCC2)N2CCCCC2)cc1 ZINC000849053196 631820167 /nfs/dbraw/zinc/82/01/67/631820167.db2.gz KZZDKSZVLMAGOC-UHFFFAOYSA-N 2 0 300.450 3.036 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849101856 631835672 /nfs/dbraw/zinc/83/56/72/631835672.db2.gz RNMVZWMZXCWYMA-FUHWJXTLSA-N 2 0 316.493 3.442 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849101858 631835962 /nfs/dbraw/zinc/83/59/62/631835962.db2.gz RNMVZWMZXCWYMA-WMZOPIPTSA-N 2 0 316.493 3.442 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000236702485 656212892 /nfs/dbraw/zinc/21/28/92/656212892.db2.gz ZBWSNMVAIODMLD-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303267064 657526181 /nfs/dbraw/zinc/52/61/81/657526181.db2.gz WQRIZZKVAUTVMR-HOTGVXAUSA-N 2 0 316.493 3.264 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303774598 657560516 /nfs/dbraw/zinc/56/05/16/657560516.db2.gz GBMYHBZJRFZQBS-OAHLLOKOSA-N 2 0 314.477 3.166 20 30 DGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)CC(C)C ZINC000303783613 657564276 /nfs/dbraw/zinc/56/42/76/657564276.db2.gz OKSMHQFPFKNGFP-MRXNPFEDSA-N 2 0 320.481 3.178 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303791952 657565511 /nfs/dbraw/zinc/56/55/11/657565511.db2.gz XZXQXWQAYXNKPF-KRWDZBQOSA-N 2 0 302.466 3.150 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000303894467 657573545 /nfs/dbraw/zinc/57/35/45/657573545.db2.gz OWENWSPFGTVSPL-INIZCTEOSA-N 2 0 316.493 3.123 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303902921 657576830 /nfs/dbraw/zinc/57/68/30/657576830.db2.gz UIGNKIOTDPHHSK-CABCVRRESA-N 2 0 302.466 3.096 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303905538 657578720 /nfs/dbraw/zinc/57/87/20/657578720.db2.gz VRACBGZIKITSCM-INIZCTEOSA-N 2 0 316.493 3.075 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303911936 657578732 /nfs/dbraw/zinc/57/87/32/657578732.db2.gz ZXZMIDVGCZMKGO-LSDHHAIUSA-N 2 0 302.466 3.239 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@H+](CC)C2CC2)cc1 ZINC000303974692 657583619 /nfs/dbraw/zinc/58/36/19/657583619.db2.gz IFQNXRUIZXNQQJ-CQSZACIVSA-N 2 0 302.466 3.411 20 30 DGEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1 ZINC000304757243 657648580 /nfs/dbraw/zinc/64/85/80/657648580.db2.gz OPKCAYOLZPKWCH-UHFFFAOYSA-N 2 0 318.465 3.075 20 30 DGEDRP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304765829 657650064 /nfs/dbraw/zinc/65/00/64/657650064.db2.gz ZVMHDVJHSHKNEM-HNNXBMFYSA-N 2 0 304.482 3.066 20 30 DGEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCCCCC1)c1ccccc1 ZINC000305031096 657665774 /nfs/dbraw/zinc/66/57/74/657665774.db2.gz ANHPAELFSXNKTC-MRXNPFEDSA-N 2 0 316.493 3.307 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000304739132 657711359 /nfs/dbraw/zinc/71/13/59/657711359.db2.gz BBFUEIFDAGHVSH-MRXNPFEDSA-N 2 0 316.493 3.376 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000930059960 659901644 /nfs/dbraw/zinc/90/16/44/659901644.db2.gz HNJROFSJWRLTGJ-FGTMMUONSA-N 2 0 319.493 3.034 20 30 DGEDRP C[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[NH+]1CCCCC1 ZINC000184330704 660164564 /nfs/dbraw/zinc/16/45/64/660164564.db2.gz LVABPZJMNDXBLR-SJORKVTESA-N 2 0 315.461 3.332 20 30 DGEDRP N#CC1(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCCCC1 ZINC001580038821 1192004045 /nfs/dbraw/zinc/00/40/45/1192004045.db2.gz TXMPVCDGDOOLHQ-RCCFBDPRSA-N 2 0 319.493 3.069 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001580065487 1192005539 /nfs/dbraw/zinc/00/55/39/1192005539.db2.gz JSXKNQSKBFOIBP-YSVLISHTSA-N 2 0 303.837 3.222 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(CCC[C@@H]3C[NH3+])CC2)c(F)c1 ZINC001580066686 1192005933 /nfs/dbraw/zinc/00/59/33/1192005933.db2.gz PSUVWCNBFWJXLN-MRXNPFEDSA-N 2 0 301.409 3.038 20 30 DGEDRP C=C[C@@H](COC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001354245441 1180756058 /nfs/dbraw/zinc/75/60/58/1180756058.db2.gz ZMYSOTYJYFOIEW-UMQXSMKFSA-N 2 0 314.473 3.363 20 30 DGEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(SC)c(C#N)c2)CC1 ZINC001462582229 1182972251 /nfs/dbraw/zinc/97/22/51/1182972251.db2.gz SCBWTDNHJAITCL-UHFFFAOYSA-N 2 0 303.475 3.102 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001569528139 1190713740 /nfs/dbraw/zinc/71/37/40/1190713740.db2.gz UCHAVZSRMFGJQH-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH2+]CC)CC1 ZINC001574736238 1191448290 /nfs/dbraw/zinc/44/82/90/1191448290.db2.gz XGCGVWIVDJZSNB-UHFFFAOYSA-N 2 0 320.864 3.174 20 30 DGEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC001575099456 1191466328 /nfs/dbraw/zinc/46/63/28/1191466328.db2.gz JCCOAEVQMMRMMK-UHFFFAOYSA-N 2 0 311.404 3.375 20 30 DGEDRP C#CCN(C)CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001657452793 1196143753 /nfs/dbraw/zinc/14/37/53/1196143753.db2.gz YKOBOFKUSFOJOB-UHFFFAOYSA-N 2 0 322.452 3.310 20 30 DGEDRP C=CCCCCCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001207897036 1081579878 /nfs/dbraw/zinc/57/98/78/1081579878.db2.gz ZELFCLUTAIJUPB-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809426 1081658012 /nfs/dbraw/zinc/65/80/12/1081658012.db2.gz HBVHILMINZORPE-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267010469 1082428586 /nfs/dbraw/zinc/42/85/86/1082428586.db2.gz XQZJQSIJPAHSHR-ZWKOTPCHSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCCCCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622732 1082599236 /nfs/dbraw/zinc/59/92/36/1082599236.db2.gz XUBAHOFMOFWIEA-UHFFFAOYSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132364409 1082890309 /nfs/dbraw/zinc/89/03/09/1082890309.db2.gz CKSBDGPVZLGAKZ-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369497 1083280547 /nfs/dbraw/zinc/28/05/47/1083280547.db2.gz NHLMPEYALGRMGW-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473715 1083733506 /nfs/dbraw/zinc/73/35/06/1083733506.db2.gz XQZJQSIJPAHSHR-MSOLQXFVSA-N 2 0 323.525 3.020 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1cccc(F)c1 ZINC001168475845 1087997158 /nfs/dbraw/zinc/99/71/58/1087997158.db2.gz QICPCAITUHILEM-AWEZNQCLSA-N 2 0 313.420 3.424 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154001040 1088433844 /nfs/dbraw/zinc/43/38/44/1088433844.db2.gz OOBQKKNMXHEGBT-IAGOWNOFSA-N 2 0 313.530 3.124 20 30 DGEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154100018 1088474610 /nfs/dbraw/zinc/47/46/10/1088474610.db2.gz XVKNUXZABYMQKF-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163275179 1090136864 /nfs/dbraw/zinc/13/68/64/1090136864.db2.gz SGAMGZCMNPABMX-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001204270669 1090937396 /nfs/dbraw/zinc/93/73/96/1090937396.db2.gz XYPKLKFOBQBUAD-QGZVFWFLSA-N 2 0 315.461 3.143 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C[NH3+] ZINC001205140540 1091110874 /nfs/dbraw/zinc/11/08/74/1091110874.db2.gz MPIHXDSGESAGFT-MAUKXSAKSA-N 2 0 321.424 3.377 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC001139059774 1091431887 /nfs/dbraw/zinc/43/18/87/1091431887.db2.gz HNKYNKATCBUJJG-UHFFFAOYSA-N 2 0 302.462 3.307 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259596 1091503409 /nfs/dbraw/zinc/50/34/09/1091503409.db2.gz XXJXHUVIOGTSPO-UHFFFAOYSA-N 2 0 306.450 3.251 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001139707114 1091648628 /nfs/dbraw/zinc/64/86/28/1091648628.db2.gz QDGNLOCVISIIQI-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCc1cccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1O ZINC001206588853 1091679336 /nfs/dbraw/zinc/67/93/36/1091679336.db2.gz CRUANJHODVRCGZ-SFHVURJKSA-N 2 0 302.462 3.473 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC2CCCCC2)CC1 ZINC001207260598 1091901412 /nfs/dbraw/zinc/90/14/12/1091901412.db2.gz CWIJDEVTIYHLRN-UHFFFAOYSA-N 2 0 319.537 3.248 20 30 DGEDRP C[NH+]1CCC(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001207402766 1091955010 /nfs/dbraw/zinc/95/50/10/1091955010.db2.gz NVWYIZYQFOMGCU-UHFFFAOYSA-N 2 0 315.436 3.025 20 30 DGEDRP C[NH+]1CCC(C)(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001208110717 1092199186 /nfs/dbraw/zinc/19/91/86/1092199186.db2.gz FCJUHZINHTXSGB-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1 ZINC001168818017 1092364019 /nfs/dbraw/zinc/36/40/19/1092364019.db2.gz OXYOIEVBNTWALF-PXNSSMCTSA-N 2 0 322.456 3.011 20 30 DGEDRP C=CCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209422679 1092767437 /nfs/dbraw/zinc/76/74/37/1092767437.db2.gz GCUWSUJVQIXEHF-PMACEKPBSA-N 2 0 320.521 3.413 20 30 DGEDRP N#Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001276689030 1093266868 /nfs/dbraw/zinc/26/68/68/1093266868.db2.gz YRKCEIONJWAQDP-UHFFFAOYSA-N 2 0 324.472 3.184 20 30 DGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(C)cc1)CC(C)C ZINC000303785441 1093848985 /nfs/dbraw/zinc/84/89/85/1093848985.db2.gz QJVOZSRAQXWHKD-KRWDZBQOSA-N 2 0 304.482 3.478 20 30 DGEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791161 1094290208 /nfs/dbraw/zinc/29/02/08/1094290208.db2.gz ONBGEVJXWICMMH-JKSUJKDBSA-N 2 0 323.525 3.088 20 30 DGEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076675 1094391059 /nfs/dbraw/zinc/39/10/59/1094391059.db2.gz FHAMWHYPPFJXJS-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C[C@H](OCC[S+](c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC001217830062 1094501605 /nfs/dbraw/zinc/50/16/05/1094501605.db2.gz CMDWQJQNSCZKKK-INIZCTEOSA-N 2 0 314.474 3.347 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246024986 1094978731 /nfs/dbraw/zinc/97/87/31/1094978731.db2.gz XBCGXNZHELBOPJ-IRXDYDNUSA-N 2 0 302.478 3.251 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178658 1095651200 /nfs/dbraw/zinc/65/12/00/1095651200.db2.gz JCOCOGKEURUGMP-KSZLIROESA-N 2 0 313.489 3.447 20 30 DGEDRP [NH3+]CC1(F)CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001222532569 1095653615 /nfs/dbraw/zinc/65/36/15/1095653615.db2.gz NIECKXDOXXSXPT-UHFFFAOYSA-N 2 0 322.427 3.349 20 30 DGEDRP [NH2+]=C(Nc1cccc2c1C[NH2+]CC2)c1ccc2cc(O)ccc2c1 ZINC001171182879 1095660639 /nfs/dbraw/zinc/66/06/39/1095660639.db2.gz UVOPFBYGVAEDST-UHFFFAOYSA-N 2 0 317.392 3.228 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001171189709 1095675493 /nfs/dbraw/zinc/67/54/93/1095675493.db2.gz JYEFXCGWJHASRE-KRWDZBQOSA-N 2 0 321.468 3.383 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237689 1095889624 /nfs/dbraw/zinc/88/96/24/1095889624.db2.gz RWFQESHXFMXMSE-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171245661 1095912820 /nfs/dbraw/zinc/91/28/20/1095912820.db2.gz ALXVYUWAIBHMIR-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146715354 1096093190 /nfs/dbraw/zinc/09/31/90/1096093190.db2.gz UHUXVGSVWWKRPY-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001172290159 1097105618 /nfs/dbraw/zinc/10/56/18/1097105618.db2.gz MXLYNWYKNTVEQU-KURKYZTESA-N 2 0 313.489 3.447 20 30 DGEDRP CCCOC1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001173096342 1097321230 /nfs/dbraw/zinc/32/12/30/1097321230.db2.gz VRJZICBOCWYZKO-UHFFFAOYSA-N 2 0 317.477 3.391 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629086 1098395331 /nfs/dbraw/zinc/39/53/31/1098395331.db2.gz RPYHKGPRSYULSB-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727793 1098414156 /nfs/dbraw/zinc/41/41/56/1098414156.db2.gz ABCRUUVCWZYLFK-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235153210 1098839622 /nfs/dbraw/zinc/83/96/22/1098839622.db2.gz QWDQPSHDFYJDGO-FQEVSTJZSA-N 2 0 311.473 3.345 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178471839 1098842455 /nfs/dbraw/zinc/84/24/55/1098842455.db2.gz KVEIDWLYUUFXOG-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189390 1098867917 /nfs/dbraw/zinc/86/79/17/1098867917.db2.gz KFTREWVISOZTQY-UHFFFAOYSA-N 2 0 300.446 3.360 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693604 1098911935 /nfs/dbraw/zinc/91/19/35/1098911935.db2.gz XIXNVVIZYQTLNX-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178827407 1098945180 /nfs/dbraw/zinc/94/51/80/1098945180.db2.gz ITIJIFBKBMZTQD-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C#Cc1cccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376758 1098985237 /nfs/dbraw/zinc/98/52/37/1098985237.db2.gz KKEKIXQQGYXEPO-YADHBBJMSA-N 2 0 316.448 3.247 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235425442 1099018531 /nfs/dbraw/zinc/01/85/31/1099018531.db2.gz JGCURVPVOOZVGO-SJORKVTESA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235429210 1099022933 /nfs/dbraw/zinc/02/29/33/1099022933.db2.gz QPUSBASZDUALEP-IRXDYDNUSA-N 2 0 322.456 3.251 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430619 1099026481 /nfs/dbraw/zinc/02/64/81/1099026481.db2.gz JUZKYGUKVIBXHR-RBUKOAKNSA-N 2 0 311.473 3.332 20 30 DGEDRP CCc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC001235431193 1099028007 /nfs/dbraw/zinc/02/80/07/1099028007.db2.gz MPYYHACNBVWIGD-PMACEKPBSA-N 2 0 311.473 3.332 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235701453 1099135920 /nfs/dbraw/zinc/13/59/20/1099135920.db2.gz IDVFYZYXJPYNLZ-UHFFFAOYSA-N 2 0 322.456 3.251 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746804 1099198151 /nfs/dbraw/zinc/19/81/51/1099198151.db2.gz YJAAVTOSIPCLQK-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C#CC[N@H+](Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834748 1099201515 /nfs/dbraw/zinc/20/15/15/1099201515.db2.gz ONOFBAQRFSLLPE-OAQYLSRUSA-N 2 0 302.421 3.413 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352745 1099380596 /nfs/dbraw/zinc/38/05/96/1099380596.db2.gz UXBXDIZZOLVSCK-HDICACEKSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236621797 1099709051 /nfs/dbraw/zinc/70/90/51/1099709051.db2.gz JWWAZJCCOZDDEZ-SGQUHAKNSA-N 2 0 307.526 3.401 20 30 DGEDRP N#Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1F ZINC001240160724 1100883744 /nfs/dbraw/zinc/88/37/44/1100883744.db2.gz HCXHXKPTYNCJQU-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP N#Cc1cc(F)cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001241658917 1101613351 /nfs/dbraw/zinc/61/33/51/1101613351.db2.gz OPQBUATXZTUCKL-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C[NH2+]Cc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242999545 1102466339 /nfs/dbraw/zinc/46/63/39/1102466339.db2.gz PXPIANCJKFUYCK-UHFFFAOYSA-N 2 0 305.425 3.218 20 30 DGEDRP N#CCOc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC001243593764 1102837147 /nfs/dbraw/zinc/83/71/47/1102837147.db2.gz WKXYDJIDIBBABU-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCCCC)CC1 ZINC001257519827 1103053863 /nfs/dbraw/zinc/05/38/63/1103053863.db2.gz NMVQFBMMBIQSQX-LJQANCHMSA-N 2 0 307.526 3.247 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111312404 1103202967 /nfs/dbraw/zinc/20/29/67/1103202967.db2.gz FSSSCSBXWSLZPT-KURKYZTESA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]CCc1ccc(C[NH3+])cc1 ZINC001246016072 1104352661 /nfs/dbraw/zinc/35/26/61/1104352661.db2.gz FKOXINACQBDHPY-IBGZPJMESA-N 2 0 306.494 3.389 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246019165 1104354843 /nfs/dbraw/zinc/35/48/43/1104354843.db2.gz ORRKATTZRLTSRR-NZSAHSFTSA-N 2 0 306.494 3.256 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246035052 1104358442 /nfs/dbraw/zinc/35/84/42/1104358442.db2.gz NQVANSVCRDGADY-PKOBYXMFSA-N 2 0 310.526 3.419 20 30 DGEDRP C=CCC[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070815 1104365497 /nfs/dbraw/zinc/36/54/97/1104365497.db2.gz VMSHWZZYZJXKQJ-GOSISDBHSA-N 2 0 322.880 3.221 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070408 1104365587 /nfs/dbraw/zinc/36/55/87/1104365587.db2.gz NREMTXIJKHOVQE-VAMGGRTRSA-N 2 0 316.489 3.394 20 30 DGEDRP N#Cc1ccc(C2CCC([NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)CC2)cc1 ZINC001246132751 1104401230 /nfs/dbraw/zinc/40/12/30/1104401230.db2.gz HKZTZKZIMVPYJV-GHBBCFCZSA-N 2 0 309.457 3.459 20 30 DGEDRP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246270034 1104467164 /nfs/dbraw/zinc/46/71/64/1104467164.db2.gz ZYUGWZJLQWNQPZ-LEWJYISDSA-N 2 0 304.437 3.121 20 30 DGEDRP CC[C@@H]1CC([NH2+]CCCOc2ccccc2C#N)C[C@@H](CC)[NH2+]1 ZINC001246327081 1104490726 /nfs/dbraw/zinc/49/07/26/1104490726.db2.gz HYHRBWUYCALACT-IAGOWNOFSA-N 2 0 315.461 3.226 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246395818 1104524761 /nfs/dbraw/zinc/52/47/61/1104524761.db2.gz AKQSFXQXQTYCMU-QIIPPGSGSA-N 2 0 301.409 3.148 20 30 DGEDRP CCCCCCCCCC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246416815 1104533654 /nfs/dbraw/zinc/53/36/54/1104533654.db2.gz MGXSHUBICRRNKR-SJORKVTESA-N 2 0 313.530 3.478 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001274891935 1104535487 /nfs/dbraw/zinc/53/54/87/1104535487.db2.gz ICWTYTIDIATGMA-HXUWFJFHSA-N 2 0 311.473 3.299 20 30 DGEDRP C=CCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001274975225 1104563650 /nfs/dbraw/zinc/56/36/50/1104563650.db2.gz ZXQNTSXAOCUOAQ-RBUKOAKNSA-N 2 0 316.493 3.264 20 30 DGEDRP CCCCCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644437 1104641748 /nfs/dbraw/zinc/64/17/48/1104641748.db2.gz HTHVVZWDPFAOCY-OTWHNJEPSA-N 2 0 310.526 3.419 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246666933 1104654759 /nfs/dbraw/zinc/65/47/59/1104654759.db2.gz SWWLBQUNLGFZNN-JXFKEZNVSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677672 1104658343 /nfs/dbraw/zinc/65/83/43/1104658343.db2.gz KXRMPRVFIVNPQD-AHRSYUTCSA-N 2 0 311.473 3.201 20 30 DGEDRP N#CCC[N@H+]([C@@H]1CSC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246768695 1104667528 /nfs/dbraw/zinc/66/75/28/1104667528.db2.gz GLVJGMMSWLVZGQ-INIZCTEOSA-N 2 0 307.507 3.162 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001246790772 1104676204 /nfs/dbraw/zinc/67/62/04/1104676204.db2.gz FLNNVWNFFADLKE-MRXNPFEDSA-N 2 0 311.473 3.201 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001246796332 1104680521 /nfs/dbraw/zinc/68/05/21/1104680521.db2.gz QTMOTQAFZNMEHF-GOSISDBHSA-N 2 0 309.542 3.495 20 30 DGEDRP CCCCCCCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246946067 1104746933 /nfs/dbraw/zinc/74/69/33/1104746933.db2.gz FGQTZSLSKNDQEC-ULQDDVLXSA-N 2 0 312.498 3.338 20 30 DGEDRP CCCCCCC[C@@H](C)[N@@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247011599 1104776548 /nfs/dbraw/zinc/77/65/48/1104776548.db2.gz YLPBYUIOAOZQTL-SJORKVTESA-N 2 0 324.509 3.210 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)s1 ZINC001275588552 1104823652 /nfs/dbraw/zinc/82/36/52/1104823652.db2.gz FRJUVZGNVLNBKO-UHFFFAOYSA-N 2 0 315.486 3.460 20 30 DGEDRP C=CCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275955947 1104967171 /nfs/dbraw/zinc/96/71/71/1104967171.db2.gz BGGBYBAGALTLGM-HDICACEKSA-N 2 0 300.446 3.025 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276040367 1105003684 /nfs/dbraw/zinc/00/36/84/1105003684.db2.gz MUZWKTIXFWTHNW-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001253227258 1105904641 /nfs/dbraw/zinc/90/46/41/1105904641.db2.gz FWDDZEGJOONEJC-LJQANCHMSA-N 2 0 317.477 3.091 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c2ccccc2[nH+]1 ZINC001254660028 1106126773 /nfs/dbraw/zinc/12/67/73/1106126773.db2.gz FQLUJGYEIICWDJ-DLBZAZTESA-N 2 0 320.440 3.358 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001254665581 1106127303 /nfs/dbraw/zinc/12/73/03/1106127303.db2.gz OKJTXJFUMGCWHD-MJGOQNOKSA-N 2 0 324.472 3.062 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001254668672 1106128380 /nfs/dbraw/zinc/12/83/80/1106128380.db2.gz HTYGRVUVTXHCPQ-MOPGFXCFSA-N 2 0 309.457 3.277 20 30 DGEDRP Cc1ccc(C(=[NH2+])N[C@H]2CCN(Cc3ccccc3)C2)cc1C ZINC001255110066 1106181880 /nfs/dbraw/zinc/18/18/80/1106181880.db2.gz YQTRQSKGTRSBHA-IBGZPJMESA-N 2 0 307.441 3.283 20 30 DGEDRP CC[C@@H](CC#N)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001255170282 1106198693 /nfs/dbraw/zinc/19/86/93/1106198693.db2.gz QNJFVFFBONYAER-SFHVURJKSA-N 2 0 312.461 3.062 20 30 DGEDRP CC(C)(C)[NH+]1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001256564169 1106445673 /nfs/dbraw/zinc/44/56/73/1106445673.db2.gz UCLCNPPFSJNIBM-UHFFFAOYSA-N 2 0 315.461 3.180 20 30 DGEDRP [NH2+]=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904246 1106506744 /nfs/dbraw/zinc/50/67/44/1106506744.db2.gz ILSQFYYXRZWZIQ-INIZCTEOSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001258172263 1106687117 /nfs/dbraw/zinc/68/71/17/1106687117.db2.gz WUCPFUPNCGKOHL-OALUTQOASA-N 2 0 319.537 3.103 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189960680 186255597 /nfs/dbraw/zinc/25/55/97/186255597.db2.gz XGUFHVPGVHKZOR-ZHALLVOQSA-N 2 0 316.489 3.060 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000442798335 239127472 /nfs/dbraw/zinc/12/74/72/239127472.db2.gz WKIIKSBVLYINEG-HZPDHXFCSA-N 2 0 303.475 3.242 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449079117 240006767 /nfs/dbraw/zinc/00/67/67/240006767.db2.gz ZWORYJAJECARCE-KRWDZBQOSA-N 2 0 316.493 3.058 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000271770241 209200045 /nfs/dbraw/zinc/20/00/45/209200045.db2.gz BMEXNTWEYNZJCK-UHFFFAOYSA-N 2 0 306.837 3.256 20 30 DGEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000341908560 533342114 /nfs/dbraw/zinc/34/21/14/533342114.db2.gz FGOMNUVYTQYXFT-IYBDPMFKSA-N 2 0 324.424 3.103 20 30 DGEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595429902 400147274 /nfs/dbraw/zinc/14/72/74/400147274.db2.gz IGXFZCVGQLAYNS-LPHOPBHVSA-N 2 0 311.473 3.343 20 30 DGEDRP N#CC[C@H]1CCC[N@H+](CCCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621724 400209716 /nfs/dbraw/zinc/20/97/16/400209716.db2.gz XXRONKJYXPBWOD-HDICACEKSA-N 2 0 302.466 3.018 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596649213 400471934 /nfs/dbraw/zinc/47/19/34/400471934.db2.gz CLRCWAGRFAWQCH-ZACQAIPSSA-N 2 0 322.493 3.032 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000602515544 400485062 /nfs/dbraw/zinc/48/50/62/400485062.db2.gz YBTYQJJWDIIYIU-ROUUACIJSA-N 2 0 321.509 3.187 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012100 400539132 /nfs/dbraw/zinc/53/91/32/400539132.db2.gz KZEQVRXVRCTJTK-QFBILLFUSA-N 2 0 311.473 3.404 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1F ZINC000603111375 400643935 /nfs/dbraw/zinc/64/39/35/400643935.db2.gz PSDCHWFVTXNDKG-UHFFFAOYSA-N 2 0 303.425 3.395 20 30 DGEDRP Cc1cc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)ccn1 ZINC000598982268 400919762 /nfs/dbraw/zinc/91/97/62/400919762.db2.gz UBNOVJDXTQTVLX-UHFFFAOYSA-N 2 0 320.440 3.016 20 30 DGEDRP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1 ZINC000191295160 165241781 /nfs/dbraw/zinc/24/17/81/165241781.db2.gz KUDPWWBJRSWSHJ-LPHOPBHVSA-N 2 0 322.456 3.039 20 30 DGEDRP N#Cc1csc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247291224 432220607 /nfs/dbraw/zinc/22/06/07/432220607.db2.gz ZDHNVVUTPMWOBQ-WMLDXEAASA-N 2 0 301.459 3.068 20 30 DGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000350328159 266116461 /nfs/dbraw/zinc/11/64/61/266116461.db2.gz MQPZJYVVLDYOOF-VQIMIIECSA-N 2 0 315.461 3.052 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273755 266155625 /nfs/dbraw/zinc/15/56/25/266155625.db2.gz PCQDLUIAUZBMQP-WMZOPIPTSA-N 2 0 315.461 3.132 20 30 DGEDRP C=CCOc1ccc(CN(C)C2CC[NH+](CC)CC2)cc1OC ZINC000125247751 431918490 /nfs/dbraw/zinc/91/84/90/431918490.db2.gz GPTIJKTWWZVUFI-UHFFFAOYSA-N 2 0 318.461 3.176 20 30 DGEDRP N#CC1CC[NH+](Cc2cccc(C[NH+]3CCC(C#N)CC3)c2)CC1 ZINC000057872681 431993895 /nfs/dbraw/zinc/99/38/95/431993895.db2.gz BWDWHMRUUAHITK-UHFFFAOYSA-N 2 0 322.456 3.158 20 30 DGEDRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000192946378 432431957 /nfs/dbraw/zinc/43/19/57/432431957.db2.gz OBYLQYVDSJCYSG-KRWDZBQOSA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177821841 432665698 /nfs/dbraw/zinc/66/56/98/432665698.db2.gz OQDMHUKTUVRCPR-VKJFTORMSA-N 2 0 317.502 3.110 20 30 DGEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000278983229 432924545 /nfs/dbraw/zinc/92/45/45/432924545.db2.gz POXUQMUXWXFVGB-IRXDYDNUSA-N 2 0 306.450 3.113 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298111806 433050098 /nfs/dbraw/zinc/05/00/98/433050098.db2.gz OIPHYOCWESQIBC-UHFFFAOYSA-N 2 0 323.440 3.405 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453376848 433133432 /nfs/dbraw/zinc/13/34/32/433133432.db2.gz YDBKYYQBNGHBLN-LZQZEXGQSA-N 2 0 318.461 3.011 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449549166 433751481 /nfs/dbraw/zinc/75/14/81/433751481.db2.gz VHOGFSZMSCRWKH-LULLPPNCSA-N 2 0 306.494 3.353 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780461 433830300 /nfs/dbraw/zinc/83/03/00/433830300.db2.gz LRFRMBVWBOYUTO-DLBZAZTESA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785384 433833484 /nfs/dbraw/zinc/83/34/84/433833484.db2.gz SOSCUMVICKYRAH-MSOLQXFVSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785386 433835892 /nfs/dbraw/zinc/83/58/92/433835892.db2.gz SOSCUMVICKYRAH-QZTJIDSGSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422558471 433918258 /nfs/dbraw/zinc/91/82/58/433918258.db2.gz ATBHHZCMHXZNGN-UXLLHSPISA-N 2 0 318.461 3.065 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285640634 434021135 /nfs/dbraw/zinc/02/11/35/434021135.db2.gz LUFIRDPFGZJEMK-ROUUACIJSA-N 2 0 319.493 3.149 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000404602386 293872355 /nfs/dbraw/zinc/87/23/55/293872355.db2.gz JIRRJGXNGBNBDW-CGTJXYLNSA-N 2 0 301.409 3.098 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccco1 ZINC000286121535 434170788 /nfs/dbraw/zinc/17/07/88/434170788.db2.gz ODEPFQQYFLFWRR-SFHVURJKSA-N 2 0 319.493 3.150 20 30 DGEDRP CSC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000353627406 434286200 /nfs/dbraw/zinc/28/62/00/434286200.db2.gz KFSMJEKSSUBUIH-CYBMUJFWSA-N 2 0 321.465 3.175 20 30 DGEDRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425296 435076489 /nfs/dbraw/zinc/07/64/89/435076489.db2.gz MIRBKYXYXYOKTF-DYESRHJHSA-N 2 0 319.452 3.211 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000651758565 435818950 /nfs/dbraw/zinc/81/89/50/435818950.db2.gz DZGSKHFUOKPLJR-NSISKUIASA-N 2 0 314.473 3.088 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000657927956 436342984 /nfs/dbraw/zinc/34/29/84/436342984.db2.gz NICMQRKABMAXOG-BTHPGYMESA-N 2 0 320.521 3.479 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000657924609 436340818 /nfs/dbraw/zinc/34/08/18/436340818.db2.gz CQRGNHOWMVQNIX-BVBHFADKSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CCOCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352446906 526758616 /nfs/dbraw/zinc/75/86/16/526758616.db2.gz HWTUSQDCZWOKLI-VQTJNVASSA-N 2 0 314.473 3.033 20 30 DGEDRP C=CCOCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352446905 526758655 /nfs/dbraw/zinc/75/86/55/526758655.db2.gz HWTUSQDCZWOKLI-UXHICEINSA-N 2 0 314.473 3.033 20 30 DGEDRP C=C(CC)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000358493284 526849227 /nfs/dbraw/zinc/84/92/27/526849227.db2.gz BJBYGZNWXIBISH-UHFFFAOYSA-N 2 0 307.526 3.081 20 30 DGEDRP C=CC1CC[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000353584626 526980048 /nfs/dbraw/zinc/98/00/48/526980048.db2.gz IUJNQRVCBIEOBE-UHFFFAOYSA-N 2 0 313.489 3.227 20 30 DGEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708938 528151520 /nfs/dbraw/zinc/15/15/20/528151520.db2.gz MKWWQYMMTCKAFG-MSOLQXFVSA-N 2 0 315.461 3.189 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449087394 535904885 /nfs/dbraw/zinc/90/48/85/535904885.db2.gz FOUQWOIHWHGNMJ-UHFFFAOYSA-N 2 0 315.461 3.189 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886357 574944914 /nfs/dbraw/zinc/94/49/14/574944914.db2.gz OCNXFHLLUVXCJM-AEFFLSMTSA-N 2 0 315.461 3.132 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925774004 618615060 /nfs/dbraw/zinc/61/50/60/618615060.db2.gz QUTOUBPDVIJJOK-HUUCEWRRSA-N 2 0 303.475 3.276 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392314 619630403 /nfs/dbraw/zinc/63/04/03/619630403.db2.gz GXWAHKODTLXRMX-VHSSKADRSA-N 2 0 324.415 3.316 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392312 619630409 /nfs/dbraw/zinc/63/04/09/619630409.db2.gz GXWAHKODTLXRMX-KKXDTOCCSA-N 2 0 324.415 3.316 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902394889 619630754 /nfs/dbraw/zinc/63/07/54/619630754.db2.gz XJCCVBNXVOYAIO-DXCKQFNASA-N 2 0 307.388 3.417 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000903765120 619809708 /nfs/dbraw/zinc/80/97/08/619809708.db2.gz YJEHVWQGAGXDRM-OKZBNKHCSA-N 2 0 319.493 3.069 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000904457174 619923457 /nfs/dbraw/zinc/92/34/57/619923457.db2.gz OBRUNGSEHUXYNT-UHFFFAOYSA-N 2 0 305.425 3.051 20 30 DGEDRP N#Cc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000921471706 620858765 /nfs/dbraw/zinc/85/87/65/620858765.db2.gz MKTYATVPANLURM-UHFFFAOYSA-N 2 0 311.454 3.374 20 30 DGEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000922844619 621108551 /nfs/dbraw/zinc/10/85/51/621108551.db2.gz HDJJRCMRDFKIHY-UHFFFAOYSA-N 2 0 301.409 3.194 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862547393 621600101 /nfs/dbraw/zinc/60/01/01/621600101.db2.gz DPGJTRNWJHDDHF-YQVWRLOYSA-N 2 0 306.494 3.048 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000862547912 621600347 /nfs/dbraw/zinc/60/03/47/621600347.db2.gz SVTRKWNHLUKNIL-LMMKCTJWSA-N 2 0 306.494 3.048 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000862547915 621600349 /nfs/dbraw/zinc/60/03/49/621600349.db2.gz SVTRKWNHLUKNIL-ZHALLVOQSA-N 2 0 306.494 3.048 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000862547914 621600586 /nfs/dbraw/zinc/60/05/86/621600586.db2.gz SVTRKWNHLUKNIL-YQVWRLOYSA-N 2 0 306.494 3.048 20 30 DGEDRP C[NH+]1CCN(c2ccc(C=[NH+][N-]c3cccc(F)c3)cc2)CC1 ZINC000771564482 622776507 /nfs/dbraw/zinc/77/65/07/622776507.db2.gz SLJGPAMSYMBBHY-UHFFFAOYSA-N 2 0 312.392 3.024 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000772983168 622961520 /nfs/dbraw/zinc/96/15/20/622961520.db2.gz JSCQYFMJGGCHIT-SZVBFZGTSA-N 2 0 315.461 3.187 20 30 DGEDRP N#Cc1ccc(C2([NH2+]Cc3cc4c(s3)CC[NH2+]C4)CCC2)cc1 ZINC000873213546 623077128 /nfs/dbraw/zinc/07/71/28/623077128.db2.gz HJXRMZRBIWLITR-UHFFFAOYSA-N 2 0 323.465 3.434 20 30 DGEDRP C#CCCCCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000876791193 623706523 /nfs/dbraw/zinc/70/65/23/623706523.db2.gz GAHXYQCTJKOPTM-UHFFFAOYSA-N 2 0 319.537 3.061 20 30 DGEDRP C#CCCCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000876791423 623706614 /nfs/dbraw/zinc/70/66/14/623706614.db2.gz FAKWVXPMCBSBTK-UHFFFAOYSA-N 2 0 319.537 3.061 20 30 DGEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261242 624876714 /nfs/dbraw/zinc/87/67/14/624876714.db2.gz HQLVKYIQQZFKNX-JKSUJKDBSA-N 2 0 306.413 3.225 20 30 DGEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134762 627228340 /nfs/dbraw/zinc/22/83/40/627228340.db2.gz PSYUIVAUUVFIFM-JKSUJKDBSA-N 2 0 306.413 3.225 20 30 DGEDRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000925887008 627812323 /nfs/dbraw/zinc/81/23/23/627812323.db2.gz PGZWULZFTPGWCC-RYGJVYDSSA-N 2 0 305.425 3.268 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000817967796 627979152 /nfs/dbraw/zinc/97/91/52/627979152.db2.gz BWBGEXKJRQSMNK-CQSZACIVSA-N 2 0 307.397 3.043 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000817975545 627981073 /nfs/dbraw/zinc/98/10/73/627981073.db2.gz NMCKSHKDOJHLLU-ULQDDVLXSA-N 2 0 300.446 3.114 20 30 DGEDRP C=C(C)CO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844616565 630743665 /nfs/dbraw/zinc/74/36/65/630743665.db2.gz CJSFJTBQSVFVLU-UHFFFAOYSA-N 2 0 301.434 3.144 20 30 DGEDRP C=CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849007653 631804770 /nfs/dbraw/zinc/80/47/70/631804770.db2.gz KDRHDIWMCUBZIE-DOTOQJQBSA-N 2 0 302.466 3.052 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247292044 655830216 /nfs/dbraw/zinc/83/02/16/655830216.db2.gz ZFHOBNMSGWHPPG-UYAOXDASSA-N 2 0 312.457 3.005 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000236699253 656200393 /nfs/dbraw/zinc/20/03/93/656200393.db2.gz GORBAYSKVOMITF-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303259141 657525985 /nfs/dbraw/zinc/52/59/85/657525985.db2.gz LUEVNBHNHPJTMY-CVEARBPZSA-N 2 0 316.493 3.264 20 30 DGEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)[NH+](C)C ZINC000303769907 657561046 /nfs/dbraw/zinc/56/10/46/657561046.db2.gz BJVAOAGFGFZWOC-MRXNPFEDSA-N 2 0 320.481 3.177 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000304739130 657646199 /nfs/dbraw/zinc/64/61/99/657646199.db2.gz BBFUEIFDAGHVSH-INIZCTEOSA-N 2 0 316.493 3.376 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304758694 657648599 /nfs/dbraw/zinc/64/85/99/657648599.db2.gz QITHHUJBTRZKQQ-MRXNPFEDSA-N 2 0 314.477 3.130 20 30 DGEDRP C[N@@H+]1CCC[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000304762962 657650665 /nfs/dbraw/zinc/65/06/65/657650665.db2.gz WHBQRMHSZPANPL-KRWDZBQOSA-N 2 0 314.477 3.282 20 30 DGEDRP CCC(CC)(CNC(=[NH2+])N(C)C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000305829575 658066496 /nfs/dbraw/zinc/06/64/96/658066496.db2.gz SSFGYHRLBLTNNG-OAHLLOKOSA-N 2 0 316.493 3.305 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000305841659 658075713 /nfs/dbraw/zinc/07/57/13/658075713.db2.gz ZNAJEGIWUJPLFH-MRXNPFEDSA-N 2 0 302.466 3.295 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000172112522 659317965 /nfs/dbraw/zinc/31/79/65/659317965.db2.gz WKZCKZRRIJISSA-UHFFFAOYSA-N 2 0 300.446 3.054 20 30 DGEDRP C[NH+]1C[C@@]2(C)CN(Cc3ccccc3C(C)(C)C#N)C[C@]2(C)C1 ZINC000931310434 661465836 /nfs/dbraw/zinc/46/58/36/661465836.db2.gz KIGDXLIIXKKOPD-PMACEKPBSA-N 2 0 311.473 3.261 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000078543216 662074748 /nfs/dbraw/zinc/07/47/48/662074748.db2.gz IKYWAIMHLFUXNX-UHFFFAOYSA-N 2 0 308.425 3.050 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381073 662329806 /nfs/dbraw/zinc/32/98/06/662329806.db2.gz GXNWNIJFJYXIFL-MRXNPFEDSA-N 2 0 315.461 3.141 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC001580040239 1192004684 /nfs/dbraw/zinc/00/46/84/1192004684.db2.gz HYMAWNGYNTVDTC-QGLXBCBXSA-N 2 0 309.457 3.250 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC001332396548 1178434686 /nfs/dbraw/zinc/43/46/86/1178434686.db2.gz QMKBAMGCEXIJCN-UHFFFAOYSA-N 2 0 317.436 3.046 20 30 DGEDRP CC1=CC(=CN=NC(=O)C[n+]2ccccc2)C2=C(CCCC2)[NH2+]1 ZINC001336039258 1178985303 /nfs/dbraw/zinc/98/53/03/1178985303.db2.gz KCCJOPIWIFHJPU-UHFFFAOYSA-O 2 0 309.393 3.172 20 30 DGEDRP CC1([NH+]2CCOCC2)CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC001474631988 1183952418 /nfs/dbraw/zinc/95/24/18/1183952418.db2.gz RINREAMIXRZQEN-UHFFFAOYSA-N 2 0 319.493 3.084 20 30 DGEDRP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920271 1186163279 /nfs/dbraw/zinc/16/32/79/1186163279.db2.gz JHNVYGZYZDSCDE-DLBZAZTESA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920273 1186163879 /nfs/dbraw/zinc/16/38/79/1186163879.db2.gz JHNVYGZYZDSCDE-IRXDYDNUSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001671428806 1197539994 /nfs/dbraw/zinc/53/99/94/1197539994.db2.gz MFUAIBCMVZNKEB-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000303881534 1199600954 /nfs/dbraw/zinc/60/09/54/1199600954.db2.gz KYLUVDLQEYCYSO-HNNXBMFYSA-N 2 0 302.466 3.269 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000127421827 1200680981 /nfs/dbraw/zinc/68/09/81/1200680981.db2.gz RUEMNPLXWUMPFZ-UHFFFAOYSA-N 2 0 311.473 3.322 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178726469 1204292851 /nfs/dbraw/zinc/29/28/51/1204292851.db2.gz FVFCURXXTLDGNL-INIZCTEOSA-N 2 0 302.466 3.090 20 30 DGEDRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170396064 1082360699 /nfs/dbraw/zinc/36/06/99/1082360699.db2.gz ULNIUPMTSVANKH-NYLDSWQDSA-N 2 0 323.484 3.418 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608791 1082598688 /nfs/dbraw/zinc/59/86/88/1082598688.db2.gz IRYXYABLHAJVSM-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183040835 1083861119 /nfs/dbraw/zinc/86/11/19/1083861119.db2.gz YFUQUGKJVHTHDC-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617875 1091284540 /nfs/dbraw/zinc/28/45/40/1091284540.db2.gz OTGUKNBXSQNRLU-IAGOWNOFSA-N 2 0 302.462 3.448 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423691 1092349314 /nfs/dbraw/zinc/34/93/14/1092349314.db2.gz NSCPXMPONVJYEW-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP CC[NH+]1CCC(C[NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001208593805 1092416624 /nfs/dbraw/zinc/41/66/24/1092416624.db2.gz JHENODNTDQXSTK-UHFFFAOYSA-N 2 0 311.473 3.276 20 30 DGEDRP C=CCCCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001209201010 1092690675 /nfs/dbraw/zinc/69/06/75/1092690675.db2.gz SRNAAEFCWKJOSK-RTBURBONSA-N 2 0 306.494 3.023 20 30 DGEDRP C#CCCC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001209263929 1092717745 /nfs/dbraw/zinc/71/77/45/1092717745.db2.gz RJRWTYWMMHCYJS-UHFFFAOYSA-N 2 0 315.461 3.135 20 30 DGEDRP C#CCCC[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001209263510 1092718465 /nfs/dbraw/zinc/71/84/65/1092718465.db2.gz NMAXBMCNTDNCQK-UHFFFAOYSA-N 2 0 311.473 3.171 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001276664388 1092877451 /nfs/dbraw/zinc/87/74/51/1092877451.db2.gz VDMYRPRQTDZXDS-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078140 1094391208 /nfs/dbraw/zinc/39/12/08/1094391208.db2.gz ZHOZZTAEDHHZSD-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218459768 1094789186 /nfs/dbraw/zinc/78/91/86/1094789186.db2.gz PSYQWSONPCCAHA-RTBURBONSA-N 2 0 314.473 3.185 20 30 DGEDRP [NH2+]=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc2cc(O)ccc2c1 ZINC001171185197 1095661676 /nfs/dbraw/zinc/66/16/76/1095661676.db2.gz UAIBEHAAEFHGES-UHFFFAOYSA-N 2 0 303.365 3.186 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001171192933 1095683448 /nfs/dbraw/zinc/68/34/48/1095683448.db2.gz QSWKWWDOPIRBDG-MRXNPFEDSA-N 2 0 320.440 3.143 20 30 DGEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001273447134 1096480048 /nfs/dbraw/zinc/48/00/48/1096480048.db2.gz VHYJHXNAMJRQTG-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(Nc2nccnc2C[NH3+])cc1 ZINC001171449330 1096861906 /nfs/dbraw/zinc/86/19/06/1096861906.db2.gz SWLTXKODCLDHGC-QGZVFWFLSA-N 2 0 309.417 3.002 20 30 DGEDRP C[NH+]1C(C)(C)CC([NH2+]CCOc2ccc(C#N)cc2)CC1(C)C ZINC001171625201 1096937740 /nfs/dbraw/zinc/93/77/40/1096937740.db2.gz DVBDDQDGJPHJFS-UHFFFAOYSA-N 2 0 315.461 3.178 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001172311736 1097098555 /nfs/dbraw/zinc/09/85/55/1097098555.db2.gz XAPQTZVVWXFXAH-QGZVFWFLSA-N 2 0 311.473 3.297 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001172299137 1097109647 /nfs/dbraw/zinc/10/96/47/1097109647.db2.gz FUYSJVDKACTJLR-KRWDZBQOSA-N 2 0 321.468 3.383 20 30 DGEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172486242 1097152251 /nfs/dbraw/zinc/15/22/51/1097152251.db2.gz CNFFXRSTKGGKPW-HNNXBMFYSA-N 2 0 303.425 3.244 20 30 DGEDRP C/C(NC1CC(C)(C)OC(C)(C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172654400 1097203304 /nfs/dbraw/zinc/20/33/04/1097203304.db2.gz ARNDIGOJXJXFIW-UHFFFAOYSA-N 2 0 317.477 3.390 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229170473 1097269201 /nfs/dbraw/zinc/26/92/01/1097269201.db2.gz CERVZNPJQDPAGE-WMZOPIPTSA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229184889 1097272964 /nfs/dbraw/zinc/27/29/64/1097272964.db2.gz DOEVJKYIVLOMIM-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCOC1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC001173313458 1097409058 /nfs/dbraw/zinc/40/90/58/1097409058.db2.gz YCCANZQWAWWGRV-UHFFFAOYSA-N 2 0 302.462 3.352 20 30 DGEDRP C=CCOc1cccc(CN2C[C@@H]3C[N@H+](CCC)C[C@@H]3C2)c1 ZINC001231624858 1097794624 /nfs/dbraw/zinc/79/46/24/1097794624.db2.gz ZDNGUOBUSIVJLB-HDICACEKSA-N 2 0 300.446 3.025 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649961 1097803705 /nfs/dbraw/zinc/80/37/05/1097803705.db2.gz LYWWIKTVWQOEOE-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277883692 1098656909 /nfs/dbraw/zinc/65/69/09/1098656909.db2.gz NLTWBECVNFZERI-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCC[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235017455 1098752925 /nfs/dbraw/zinc/75/29/25/1098752925.db2.gz FPBQZQFDUAXADD-UHFFFAOYSA-N 2 0 300.446 3.098 20 30 DGEDRP N#Cc1ccc2c(CN3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168749 1098850535 /nfs/dbraw/zinc/85/05/35/1098850535.db2.gz UAUGLGVBGHIWQT-IBGZPJMESA-N 2 0 308.429 3.148 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1)c1ccccc1 ZINC001235339138 1098962514 /nfs/dbraw/zinc/96/25/14/1098962514.db2.gz DILOVDDZAZTUOA-OAQYLSRUSA-N 2 0 316.448 3.128 20 30 DGEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC001235435719 1099033455 /nfs/dbraw/zinc/03/34/55/1099033455.db2.gz VTFKQSFDAXVRHN-UHFFFAOYSA-N 2 0 308.429 3.107 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180373049 1099400629 /nfs/dbraw/zinc/40/06/29/1099400629.db2.gz PCABWZWRGRKHJK-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236835718 1099822831 /nfs/dbraw/zinc/82/28/31/1099822831.db2.gz PNOCGODCQPGYTF-KRWDZBQOSA-N 2 0 302.462 3.463 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236895437 1099857706 /nfs/dbraw/zinc/85/77/06/1099857706.db2.gz ZHKUKUNVFSREAF-UHFFFAOYSA-N 2 0 301.478 3.227 20 30 DGEDRP Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccc1C#N ZINC001242768089 1102331044 /nfs/dbraw/zinc/33/10/44/1102331044.db2.gz QURIZMOKZDJAHB-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CC#Cc1cncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001242941405 1102431735 /nfs/dbraw/zinc/43/17/35/1102431735.db2.gz HKNULZKDDQRFIV-UHFFFAOYSA-N 2 0 305.425 3.043 20 30 DGEDRP C[NH2+]Cc1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001242992844 1102460162 /nfs/dbraw/zinc/46/01/62/1102460162.db2.gz XYJXQQVKCXMSBA-UHFFFAOYSA-N 2 0 321.424 3.075 20 30 DGEDRP CCCCCCC[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201065966 1102474523 /nfs/dbraw/zinc/47/45/23/1102474523.db2.gz DFPFAPICVWTUMQ-UHFFFAOYSA-N 2 0 323.525 3.022 20 30 DGEDRP N#CCOc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC001243593342 1102834559 /nfs/dbraw/zinc/83/45/59/1102834559.db2.gz KQJFVLFFUOZMNL-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP COc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1C#N ZINC001244710310 1103644478 /nfs/dbraw/zinc/64/44/78/1103644478.db2.gz ITYFHGWGHSUBDQ-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP Cc1c(C#N)cccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001244817298 1103698907 /nfs/dbraw/zinc/69/89/07/1103698907.db2.gz CKOCMQOXOMMHMB-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC001329115901 1104158889 /nfs/dbraw/zinc/15/88/89/1104158889.db2.gz ZLGVKLHFLSIIIO-NUVZVAJJSA-N 2 0 309.457 3.217 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001245992057 1104346794 /nfs/dbraw/zinc/34/67/94/1104346794.db2.gz XRFWLIQSKPNKDO-JLAWEPINSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246021818 1104353564 /nfs/dbraw/zinc/35/35/64/1104353564.db2.gz HHCRWOUVSMQTHD-MOPGFXCFSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246055230 1104359002 /nfs/dbraw/zinc/35/90/02/1104359002.db2.gz MGTVJEDOJZYKTD-IBGZPJMESA-N 2 0 320.452 3.015 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084398 1104378291 /nfs/dbraw/zinc/37/82/91/1104378291.db2.gz RUZCWINETHBPCD-OKZBNKHCSA-N 2 0 316.505 3.414 20 30 DGEDRP C[C@H]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC001246090335 1104380041 /nfs/dbraw/zinc/38/00/41/1104380041.db2.gz FWPTVMLYEWHTHP-QREPNTDJSA-N 2 0 311.473 3.368 20 30 DGEDRP CCCC[C@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC[NH2+]1 ZINC001246324385 1104489194 /nfs/dbraw/zinc/48/91/94/1104489194.db2.gz HDGXVJPEMJWARD-ROUUACIJSA-N 2 0 324.472 3.497 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246394342 1104524116 /nfs/dbraw/zinc/52/41/16/1104524116.db2.gz YCKODYOMZXKPNO-JEBQAFNWSA-N 2 0 301.409 3.148 20 30 DGEDRP N#Cc1ccc(C2CCC([NH+]3CC4(C3)CCC[NH2+]C4)CC2)cc1 ZINC001246604793 1104622843 /nfs/dbraw/zinc/62/28/43/1104622843.db2.gz IWVJVAZCIVSKCQ-UHFFFAOYSA-N 2 0 309.457 3.270 20 30 DGEDRP CCCCCCCCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275133961 1104642016 /nfs/dbraw/zinc/64/20/16/1104642016.db2.gz ZHNHRQVSXBLFRY-UHFFFAOYSA-N 2 0 309.542 3.449 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646051 1104643764 /nfs/dbraw/zinc/64/37/64/1104643764.db2.gz WFOPVLQBPZDVST-RTBURBONSA-N 2 0 309.542 3.399 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658860 1104651052 /nfs/dbraw/zinc/65/10/52/1104651052.db2.gz BDENBPGJHBOGCT-CTWPCTMYSA-N 2 0 306.494 3.354 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CC2)cc1 ZINC001246660547 1104652364 /nfs/dbraw/zinc/65/23/64/1104652364.db2.gz UZKNBSULFTWTMB-NBDWZHNGSA-N 2 0 309.457 3.268 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246768721 1104666983 /nfs/dbraw/zinc/66/69/83/1104666983.db2.gz GVLQLWAYDPOPHW-SFTDATJTSA-N 2 0 319.452 3.353 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246809104 1104683743 /nfs/dbraw/zinc/68/37/43/1104683743.db2.gz FLYVBFYOAYMNHE-YOFSQIOKSA-N 2 0 309.457 3.096 20 30 DGEDRP CCCCCCC[C@@H](C)[N@@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247011597 1104776665 /nfs/dbraw/zinc/77/66/65/1104776665.db2.gz YLPBYUIOAOZQTL-IAGOWNOFSA-N 2 0 324.509 3.210 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275955959 1104967411 /nfs/dbraw/zinc/96/74/11/1104967411.db2.gz BNQLJQALHYJMMZ-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276035444 1104993223 /nfs/dbraw/zinc/99/32/23/1104993223.db2.gz HIAAYVFQKMMGFS-UHFFFAOYSA-N 2 0 316.493 3.444 20 30 DGEDRP C=CCCCCC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276040685 1105003672 /nfs/dbraw/zinc/00/36/72/1105003672.db2.gz QNTNTAQZZVAHPC-IBGZPJMESA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCCCCCC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276042300 1105003708 /nfs/dbraw/zinc/00/37/08/1105003708.db2.gz ZFJJSNUYKXSEAZ-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCC[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001276041551 1105003809 /nfs/dbraw/zinc/00/38/09/1105003809.db2.gz YLRFBBDOAPBELX-RBUKOAKNSA-N 2 0 307.526 3.319 20 30 DGEDRP C=CCCCCCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276042968 1105003978 /nfs/dbraw/zinc/00/39/78/1105003978.db2.gz NNWWOYIPIVGXKN-RBUKOAKNSA-N 2 0 307.526 3.081 20 30 DGEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252625275 1105807796 /nfs/dbraw/zinc/80/77/96/1105807796.db2.gz UFIUZIQHCACAPD-HOJAQTOUSA-N 2 0 316.489 3.061 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001253103338 1105888735 /nfs/dbraw/zinc/88/87/35/1105888735.db2.gz HQSZFMBHERCUMY-GOSISDBHSA-N 2 0 301.478 3.273 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255278390 1106215012 /nfs/dbraw/zinc/21/50/12/1106215012.db2.gz DBUJTPVVTAUHPO-KZNAEPCWSA-N 2 0 315.486 3.136 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1ccccc1F ZINC001255841771 1106325917 /nfs/dbraw/zinc/32/59/17/1106325917.db2.gz KLFOISSGWGAIOL-AWEZNQCLSA-N 2 0 313.420 3.424 20 30 DGEDRP C=CC[N@H+](C1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256697052 1106470867 /nfs/dbraw/zinc/47/08/67/1106470867.db2.gz SGSZCGHFVDACET-UHFFFAOYSA-N 2 0 306.494 3.451 20 30 DGEDRP N#Cc1ccc(C2([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256853440 1106497993 /nfs/dbraw/zinc/49/79/93/1106497993.db2.gz FDVRRDSJUOTXJY-UHFFFAOYSA-N 2 0 318.424 3.201 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(CC)CC2)CC1 ZINC001256876777 1106502124 /nfs/dbraw/zinc/50/21/24/1106502124.db2.gz UGHZEJNUTUBOOU-UHFFFAOYSA-N 2 0 319.537 3.247 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](CC)CCCC)CC1 ZINC001257425978 1106587046 /nfs/dbraw/zinc/58/70/46/1106587046.db2.gz DFWASEZKDBAEFO-IBGZPJMESA-N 2 0 307.526 3.247 20 30 DGEDRP CCCCCCC[C@H](C)[NH+]1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001258043810 1106663688 /nfs/dbraw/zinc/66/36/88/1106663688.db2.gz UBEOGTVBSZNVDZ-INIZCTEOSA-N 2 0 312.498 3.482 20 30 DGEDRP CCCCCCC[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001258048710 1106664155 /nfs/dbraw/zinc/66/41/55/1106664155.db2.gz XJZPSDUTIUTMAX-GOSISDBHSA-N 2 0 309.542 3.447 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](CC)C[C@@H](C)CC)CC1 ZINC001258796568 1106982394 /nfs/dbraw/zinc/98/23/94/1106982394.db2.gz DIACRRLHIRKFCB-PMACEKPBSA-N 2 0 321.553 3.493 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001264047372 1108352436 /nfs/dbraw/zinc/35/24/36/1108352436.db2.gz ATPLYPFSOASJGC-RCCFBDPRSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001265664936 1108957604 /nfs/dbraw/zinc/95/76/04/1108957604.db2.gz ZOFOSJNEQOWMPO-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C[C@H](CCC#N)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308934466 1111496255 /nfs/dbraw/zinc/49/62/55/1111496255.db2.gz XJDUELFNRMMRJP-YZGWKJHDSA-N 2 0 311.473 3.380 20 30 DGEDRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272517 198313556 /nfs/dbraw/zinc/31/35/56/198313556.db2.gz HKGBPCOYYIAFGR-MRXNPFEDSA-N 2 0 315.461 3.311 20 30 DGEDRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000174272638 198313711 /nfs/dbraw/zinc/31/37/11/198313711.db2.gz YONILRGRXWEKDK-MRXNPFEDSA-N 2 0 315.461 3.169 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000449230725 240079806 /nfs/dbraw/zinc/07/98/06/240079806.db2.gz BGMXZINDQLJTLH-FXAWDEMLSA-N 2 0 316.489 3.478 20 30 DGEDRP CCC[NH+]1CCC([N@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000156634922 197128712 /nfs/dbraw/zinc/12/87/12/197128712.db2.gz NHIVEAJMGDYPMS-UHFFFAOYSA-N 2 0 315.461 3.133 20 30 DGEDRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000595104218 400107784 /nfs/dbraw/zinc/10/77/84/400107784.db2.gz QVYRURFGBLLUEW-CQSZACIVSA-N 2 0 315.436 3.470 20 30 DGEDRP C=CCCSCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649723 400472109 /nfs/dbraw/zinc/47/21/09/400472109.db2.gz GFHWZRDZQYFXHJ-WMZOPIPTSA-N 2 0 318.486 3.141 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000062427168 401171947 /nfs/dbraw/zinc/17/19/47/401171947.db2.gz NQDPGRKJKGDWAO-KRWDZBQOSA-N 2 0 318.461 3.080 20 30 DGEDRP C#CCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151166489 432225660 /nfs/dbraw/zinc/22/56/60/432225660.db2.gz UTXUKPWQXXTQMP-UHFFFAOYSA-N 2 0 313.489 3.110 20 30 DGEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000176624914 228316378 /nfs/dbraw/zinc/31/63/78/228316378.db2.gz NIKXYGDOVDXYMN-OXQOHEQNSA-N 2 0 305.425 3.311 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185813416 228398069 /nfs/dbraw/zinc/39/80/69/228398069.db2.gz CSCKMAYEAYLHDJ-MSOLQXFVSA-N 2 0 315.461 3.189 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000403998715 268074184 /nfs/dbraw/zinc/07/41/84/268074184.db2.gz GYLFMDRQDZEXKK-GOSISDBHSA-N 2 0 323.415 3.309 20 30 DGEDRP CC1CC[NH+]([C@@H](C[NH+]=C(N(C)C)N(C)C)c2cccs2)CC1 ZINC000263277454 278549902 /nfs/dbraw/zinc/54/99/02/278549902.db2.gz YYDGETYBOQXZEB-HNNXBMFYSA-N 2 0 322.522 3.000 20 30 DGEDRP C[N@H+](CCCSCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000074991911 431448759 /nfs/dbraw/zinc/44/87/59/431448759.db2.gz HEODMGLIJKXJDN-GOSISDBHSA-N 2 0 317.502 3.087 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248455504 432294937 /nfs/dbraw/zinc/29/49/37/432294937.db2.gz RMQPABDFCNTDRO-UXHICEINSA-N 2 0 314.473 3.088 20 30 DGEDRP C[NH+](C)CCOc1ccc(CC[NH2+]CC(C)(C)CCC#N)cc1 ZINC000266214491 432756320 /nfs/dbraw/zinc/75/63/20/432756320.db2.gz PJPDSBMOKUIOOE-UHFFFAOYSA-N 2 0 317.477 3.089 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000178699339 432768665 /nfs/dbraw/zinc/76/86/65/432768665.db2.gz ASOONNXXJRKFCQ-HOTGVXAUSA-N 2 0 311.429 3.190 20 30 DGEDRP CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278875681 432911486 /nfs/dbraw/zinc/91/14/86/432911486.db2.gz XLUCFYMIRJGQRJ-QFBILLFUSA-N 2 0 315.461 3.100 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281611887 433322077 /nfs/dbraw/zinc/32/20/77/433322077.db2.gz GRFKHPGJGXPKSR-HNNXBMFYSA-N 2 0 303.450 3.167 20 30 DGEDRP C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000414162142 433433114 /nfs/dbraw/zinc/43/31/14/433433114.db2.gz GMLJQHAVBJILCZ-HNNXBMFYSA-N 2 0 303.450 3.217 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780463 433828128 /nfs/dbraw/zinc/82/81/28/433828128.db2.gz LRFRMBVWBOYUTO-IAGOWNOFSA-N 2 0 300.446 3.073 20 30 DGEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC(C)CC1)c1ccccc1 ZINC000304018910 433975434 /nfs/dbraw/zinc/97/54/34/433975434.db2.gz XJQLXVURTLBKSE-INIZCTEOSA-N 2 0 316.493 3.162 20 30 DGEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304809934 434019244 /nfs/dbraw/zinc/01/92/44/434019244.db2.gz VZTMGQOKXPTGEO-GDBMZVCRSA-N 2 0 322.522 3.081 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000404602390 293872488 /nfs/dbraw/zinc/87/24/88/293872488.db2.gz JIRRJGXNGBNBDW-KBAYOESNSA-N 2 0 301.409 3.098 20 30 DGEDRP CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028020 434106206 /nfs/dbraw/zinc/10/62/06/434106206.db2.gz WIDCBUKULXYQSG-RBUKOAKNSA-N 2 0 311.473 3.380 20 30 DGEDRP CCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367022437 434534638 /nfs/dbraw/zinc/53/46/38/434534638.db2.gz SXWWSYDZVCMMLN-MOPGFXCFSA-N 2 0 309.542 3.305 20 30 DGEDRP C=CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000367618006 434552852 /nfs/dbraw/zinc/55/28/52/434552852.db2.gz OEKMNPLVOXXPAD-SJLPKXTDSA-N 2 0 317.477 3.045 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000424321629 434697665 /nfs/dbraw/zinc/69/76/65/434697665.db2.gz HIFBTVAIJWBIBD-OUUBHVDSSA-N 2 0 309.457 3.179 20 30 DGEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000459734025 434685043 /nfs/dbraw/zinc/68/50/43/434685043.db2.gz RGDRFIVQOGSMLB-CEXWTWQISA-N 2 0 311.473 3.426 20 30 DGEDRP Cc1ccnc(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)c1 ZINC000411320651 434762091 /nfs/dbraw/zinc/76/20/91/434762091.db2.gz GUYCZQHODQYICE-UHFFFAOYSA-N 2 0 312.461 3.376 20 30 DGEDRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425302 435076039 /nfs/dbraw/zinc/07/60/39/435076039.db2.gz MIRBKYXYXYOKTF-UTKZUKDTSA-N 2 0 319.452 3.211 20 30 DGEDRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC3(C#N)CC3)C2)s1 ZINC000515488312 435486786 /nfs/dbraw/zinc/48/67/86/435486786.db2.gz QPZVGYZQZUWUDL-OAHLLOKOSA-N 2 0 303.475 3.114 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1Cl ZINC000571215475 435688450 /nfs/dbraw/zinc/68/84/50/435688450.db2.gz WGGYPDSAVZZWPM-UHFFFAOYSA-N 2 0 308.853 3.466 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544077 436079499 /nfs/dbraw/zinc/07/94/99/436079499.db2.gz WKJMMTDRKAVNQE-MOPGFXCFSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999389 436322689 /nfs/dbraw/zinc/32/26/89/436322689.db2.gz BOBDEHCQPKDHDO-MRXNPFEDSA-N 2 0 316.445 3.024 20 30 DGEDRP C=CCOCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293637491 335113843 /nfs/dbraw/zinc/11/38/43/335113843.db2.gz RMYFNXUSCPNSEO-UHFFFAOYSA-N 2 0 314.473 3.177 20 30 DGEDRP C[C@H]1C[NH+](CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092587612 337906706 /nfs/dbraw/zinc/90/67/06/337906706.db2.gz JYXAZAPPCFIEGM-IRXDYDNUSA-N 2 0 321.509 3.138 20 30 DGEDRP C=CCC[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249501128 341398365 /nfs/dbraw/zinc/39/83/65/341398365.db2.gz XGUFHVPGVHKZOR-KVPLUYHFSA-N 2 0 316.489 3.060 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249501126 341398387 /nfs/dbraw/zinc/39/83/87/341398387.db2.gz XGUFHVPGVHKZOR-BWPNAZKDSA-N 2 0 316.489 3.060 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000305767263 341532205 /nfs/dbraw/zinc/53/22/05/341532205.db2.gz HOKBTNVYMJWDIA-GBESFXJTSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CCOCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348037124 526746347 /nfs/dbraw/zinc/74/63/47/526746347.db2.gz RMOOOUKXMQBHAY-IBGZPJMESA-N 2 0 302.462 3.033 20 30 DGEDRP C(#CC[N@@H+]1CC[C@@H](c2ccco2)C1)C[NH+]1CC[C@H](c2ccco2)C1 ZINC000671241561 547780654 /nfs/dbraw/zinc/78/06/54/547780654.db2.gz ZVQFJBHFKBARJE-HDICACEKSA-N 2 0 324.424 3.155 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000685412696 549755851 /nfs/dbraw/zinc/75/58/51/549755851.db2.gz YSXHLVGOHMHQAY-DLBZAZTESA-N 2 0 322.518 3.137 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000104169939 617962738 /nfs/dbraw/zinc/96/27/38/617962738.db2.gz UGSINIQFOWEDKD-INIZCTEOSA-N 2 0 316.493 3.488 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675408 618083946 /nfs/dbraw/zinc/08/39/46/618083946.db2.gz HZNPQFOJSCKYDM-YGPBLSMFSA-N 2 0 306.494 3.353 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902730899 619667137 /nfs/dbraw/zinc/66/71/37/619667137.db2.gz UWHGAPYOSUTAQO-MRXNPFEDSA-N 2 0 320.440 3.400 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902747711 619669396 /nfs/dbraw/zinc/66/93/96/619669396.db2.gz HMCXERMICNUXQZ-INIZCTEOSA-N 2 0 300.450 3.116 20 30 DGEDRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc(C#N)c1)CC[NH2+]CC2 ZINC000903460113 619776993 /nfs/dbraw/zinc/77/69/93/619776993.db2.gz XLDIGODRWUPJPR-ZDUSSCGKSA-N 2 0 303.837 3.176 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903481397 619780796 /nfs/dbraw/zinc/78/07/96/619780796.db2.gz AQYJJQYLJMZZGV-KRWDZBQOSA-N 2 0 303.837 3.177 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000922268324 621015642 /nfs/dbraw/zinc/01/56/42/621015642.db2.gz DMGLONAFBDQKMW-GOSISDBHSA-N 2 0 311.473 3.387 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000859213692 621261200 /nfs/dbraw/zinc/26/12/00/621261200.db2.gz ZIQAIPAATJSQDG-UHFFFAOYSA-N 2 0 307.441 3.446 20 30 DGEDRP C=C(Br)CN(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994734 621353288 /nfs/dbraw/zinc/35/32/88/621353288.db2.gz BLOLANAKKSKYGV-UHFFFAOYSA-N 2 0 311.267 3.479 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000122484733 622335072 /nfs/dbraw/zinc/33/50/72/622335072.db2.gz VUIDCQKROGICPN-INIZCTEOSA-N 2 0 316.493 3.265 20 30 DGEDRP C#CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000769529854 622538644 /nfs/dbraw/zinc/53/86/44/622538644.db2.gz GWMLPUQQCVUHKA-UHFFFAOYSA-N 2 0 300.446 3.005 20 30 DGEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876933150 623747485 /nfs/dbraw/zinc/74/74/85/623747485.db2.gz GTJMWHMNRJIAQF-AWEZNQCLSA-N 2 0 320.868 3.208 20 30 DGEDRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718344 624004391 /nfs/dbraw/zinc/00/43/91/624004391.db2.gz IQFYBYZEMUJGLI-HKUYNNGSSA-N 2 0 311.473 3.322 20 30 DGEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261239 624876560 /nfs/dbraw/zinc/87/65/60/624876560.db2.gz HQLVKYIQQZFKNX-HZPDHXFCSA-N 2 0 306.413 3.225 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883210183 626609816 /nfs/dbraw/zinc/60/98/16/626609816.db2.gz PHRWLBKXXMJZIB-QUCCMNQESA-N 2 0 312.457 3.176 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883237961 626619706 /nfs/dbraw/zinc/61/97/06/626619706.db2.gz OMCXEYPBKMUFSH-FHWLQOOXSA-N 2 0 306.494 3.212 20 30 DGEDRP CSc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000886688470 627190220 /nfs/dbraw/zinc/19/02/20/627190220.db2.gz SJLPTFKMUAFVDC-CYBMUJFWSA-N 2 0 303.475 3.100 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000886689867 627191109 /nfs/dbraw/zinc/19/11/09/627191109.db2.gz JFIFDMLMIOAKFH-ZACQAIPSSA-N 2 0 315.486 3.243 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000104156652 627411463 /nfs/dbraw/zinc/41/14/63/627411463.db2.gz OFHSXJVFBDCODT-INIZCTEOSA-N 2 0 302.466 3.295 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000815150717 627637924 /nfs/dbraw/zinc/63/79/24/627637924.db2.gz DTMUUWBYQFLVHI-QGZVFWFLSA-N 2 0 315.461 3.333 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000924774871 627678394 /nfs/dbraw/zinc/67/83/94/627678394.db2.gz FGCXHRWAKSNZNX-CYBMUJFWSA-N 2 0 300.381 3.429 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924937566 627695831 /nfs/dbraw/zinc/69/58/31/627695831.db2.gz DOWLVXDIPLOFHD-HKUYNNGSSA-N 2 0 313.489 3.469 20 30 DGEDRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000925616152 627763229 /nfs/dbraw/zinc/76/32/29/627763229.db2.gz KIZUAKOHVPNBHI-GOSISDBHSA-N 2 0 309.413 3.137 20 30 DGEDRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000926753174 627946716 /nfs/dbraw/zinc/94/67/16/627946716.db2.gz FRTSDRIGDMTTGF-RHSMWYFYSA-N 2 0 301.434 3.036 20 30 DGEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961718 627976846 /nfs/dbraw/zinc/97/68/46/627976846.db2.gz ATDDFUFCJRDVHS-HUUCEWRRSA-N 2 0 309.413 3.459 20 30 DGEDRP C#CC[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805897 629195153 /nfs/dbraw/zinc/19/51/53/629195153.db2.gz XMJKZYUGGNCIAL-VAMGGRTRSA-N 2 0 300.490 3.236 20 30 DGEDRP CCCCCCCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000849024907 631809973 /nfs/dbraw/zinc/80/99/73/631809973.db2.gz FOAHCARCUCUGOZ-UHFFFAOYSA-N 2 0 308.514 3.478 20 30 DGEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NCC(C)(C)[NH+](C)C ZINC000849055410 631821544 /nfs/dbraw/zinc/82/15/44/631821544.db2.gz WEKNRKKMUBXFQE-UHFFFAOYSA-N 2 0 318.509 3.171 20 30 DGEDRP C[NH+]=C(NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)NC1CC1 ZINC000849077706 631828996 /nfs/dbraw/zinc/82/89/96/631828996.db2.gz KCJHCKJUFSGDRM-QAPCUYQASA-N 2 0 316.493 3.079 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@](C)(CC)C1 ZINC000261728419 655666692 /nfs/dbraw/zinc/66/66/92/655666692.db2.gz JETHBNJWMFWBOD-HKUYNNGSSA-N 2 0 322.541 3.194 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000236690884 655748235 /nfs/dbraw/zinc/74/82/35/655748235.db2.gz BTNWMESEUQMVHD-UHFFFAOYSA-N 2 0 314.473 3.444 20 30 DGEDRP C[C@@H](CCNC(=[NH2+])Nc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000081781024 656142809 /nfs/dbraw/zinc/14/28/09/656142809.db2.gz PKQMZDOSXSTAHX-INIZCTEOSA-N 2 0 310.445 3.324 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@@](C)(CC)C1 ZINC000261728422 657054572 /nfs/dbraw/zinc/05/45/72/657054572.db2.gz JETHBNJWMFWBOD-PKOBYXMFSA-N 2 0 322.541 3.194 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303259145 657526287 /nfs/dbraw/zinc/52/62/87/657526287.db2.gz LUEVNBHNHPJTMY-HZPDHXFCSA-N 2 0 316.493 3.264 20 30 DGEDRP CCNC(NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000303392427 657531872 /nfs/dbraw/zinc/53/18/72/657531872.db2.gz ZGSZMZQVSHXVMA-MRXNPFEDSA-N 2 0 316.493 3.136 20 30 DGEDRP CCNC(NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000303392425 657532345 /nfs/dbraw/zinc/53/23/45/657532345.db2.gz ZGSZMZQVSHXVMA-INIZCTEOSA-N 2 0 316.493 3.136 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000303778765 657562669 /nfs/dbraw/zinc/56/26/69/657562669.db2.gz JWNOZZZTAXOGTM-QGZVFWFLSA-N 2 0 302.466 3.096 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303784733 657563481 /nfs/dbraw/zinc/56/34/81/657563481.db2.gz PROZQBFMTYMDDT-UHFFFAOYSA-N 2 0 316.493 3.075 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303872453 657569417 /nfs/dbraw/zinc/56/94/17/657569417.db2.gz BYNSTJZJKFWHKX-MRXNPFEDSA-N 2 0 316.493 3.488 20 30 DGEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303885333 657571563 /nfs/dbraw/zinc/57/15/63/657571563.db2.gz JSTLPBKSNKJIDA-INIZCTEOSA-N 2 0 316.493 3.073 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303968534 657581672 /nfs/dbraw/zinc/58/16/72/657581672.db2.gz ASFSTTGCGIJETL-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)[N@H+](C)C1CC1 ZINC000303989316 657585346 /nfs/dbraw/zinc/58/53/46/657585346.db2.gz XLBVSEWPGPHXBZ-MRXNPFEDSA-N 2 0 314.477 3.423 20 30 DGEDRP CC[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCCC1 ZINC000304708738 657644296 /nfs/dbraw/zinc/64/42/96/657644296.db2.gz XTBNRLLHWMKSMT-INIZCTEOSA-N 2 0 314.477 3.166 20 30 DGEDRP C[C@@H](CCNC(=[NH2+])N1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC000305091961 657679035 /nfs/dbraw/zinc/67/90/35/657679035.db2.gz XHUIJWMQZCWFBO-KRWDZBQOSA-N 2 0 316.493 3.088 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165290889 658974048 /nfs/dbraw/zinc/97/40/48/658974048.db2.gz NDVSWZNQUQFZMF-IRXDYDNUSA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCC1([NH2+]CCC(C)CC[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933294773 661628176 /nfs/dbraw/zinc/62/81/76/661628176.db2.gz OEYIFRVYWQUDFP-UHFFFAOYSA-N 2 0 300.490 3.474 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001577426209 1191900626 /nfs/dbraw/zinc/90/06/26/1191900626.db2.gz ITFGZEPGSJRNQH-JKSUJKDBSA-N 2 0 310.482 3.010 20 30 DGEDRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001579194420 1191968996 /nfs/dbraw/zinc/96/89/96/1191968996.db2.gz MZYCIGVTQZSMOW-DNVCBOLYSA-N 2 0 323.440 3.302 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629529 1177355412 /nfs/dbraw/zinc/35/54/12/1177355412.db2.gz QASFZUCMXAGEFE-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1Cl ZINC001461831400 1182864857 /nfs/dbraw/zinc/86/48/57/1182864857.db2.gz STLXIRUHMZOBSX-BFYDXBDKSA-N 2 0 320.864 3.335 20 30 DGEDRP C=CCN1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001473981433 1183842787 /nfs/dbraw/zinc/84/27/87/1183842787.db2.gz IPDSPOFBNCDFPB-UHFFFAOYSA-N 2 0 306.837 3.015 20 30 DGEDRP COc1cc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001474647415 1183954577 /nfs/dbraw/zinc/95/45/77/1183954577.db2.gz PFHRMDONBXPVNK-CRAIPNDOSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[N@H+](Cc1ccc(OC)cc1)CC1CC[NH+](CC)CC1 ZINC001560645961 1189353412 /nfs/dbraw/zinc/35/34/12/1189353412.db2.gz KOJSDIRALWEHJU-UHFFFAOYSA-N 2 0 302.462 3.415 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001651478568 1195469221 /nfs/dbraw/zinc/46/92/21/1195469221.db2.gz AXXRHNCDIJGQAW-MJGOQNOKSA-N 2 0 313.489 3.273 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001662525566 1196727937 /nfs/dbraw/zinc/72/79/37/1196727937.db2.gz BYAXLKXZHHFMPG-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000303911272 1199601531 /nfs/dbraw/zinc/60/15/31/1199601531.db2.gz ZKHGSEVYQAYORX-HOTGVXAUSA-N 2 0 302.466 3.090 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000304741341 1199669060 /nfs/dbraw/zinc/66/90/60/1199669060.db2.gz CBBUMHODSTXPQY-LJQANCHMSA-N 2 0 322.456 3.386 20 30 DGEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001692329998 1201021841 /nfs/dbraw/zinc/02/18/41/1201021841.db2.gz ROFHTGPPXKZZNR-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717414581 1203639301 /nfs/dbraw/zinc/63/93/01/1203639301.db2.gz DEJGSCOETQRBGD-CVEARBPZSA-N 2 0 323.525 3.088 20 30 DGEDRP C=C(C)C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CCCCCC1 ZINC001723640484 1203986558 /nfs/dbraw/zinc/98/65/58/1203986558.db2.gz OFKSKUXSIFQCKN-UHFFFAOYSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCN(Cc1ccccc1)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167126816 1081734513 /nfs/dbraw/zinc/73/45/13/1081734513.db2.gz QCZLGVZTGVLYJT-UHFFFAOYSA-N 2 0 322.456 3.202 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167914901 1084649627 /nfs/dbraw/zinc/64/96/27/1084649627.db2.gz BFRFVYYKJNWZRC-OAHLLOKOSA-N 2 0 304.463 3.048 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167919315 1084785546 /nfs/dbraw/zinc/78/55/46/1084785546.db2.gz YCWKKTOSBBDUBH-YCKXBTPASA-N 2 0 309.457 3.429 20 30 DGEDRP C=CCCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203442681 1086446380 /nfs/dbraw/zinc/44/63/80/1086446380.db2.gz LKXBVMILTVJEQG-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160867562 1088997518 /nfs/dbraw/zinc/99/75/18/1088997518.db2.gz HEDRPWBVDOXELY-ROUUACIJSA-N 2 0 323.525 3.070 20 30 DGEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1cc(N2CCCC2)cc[nH+]1 ZINC001163471894 1090194245 /nfs/dbraw/zinc/19/42/45/1090194245.db2.gz MHMZXYJMWMZJOJ-UHFFFAOYSA-N 2 0 323.444 3.171 20 30 DGEDRP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205110327 1091104790 /nfs/dbraw/zinc/10/47/90/1091104790.db2.gz SIJPMWJYQDNBOQ-NRFANRHFSA-N 2 0 304.437 3.400 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410949 1091552289 /nfs/dbraw/zinc/55/22/89/1091552289.db2.gz NBZKDNCNWXQLAM-UHFFFAOYSA-N 2 0 301.478 3.227 20 30 DGEDRP C#Cc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206755078 1091725316 /nfs/dbraw/zinc/72/53/16/1091725316.db2.gz APMSPJWHFWRVJV-UHFFFAOYSA-N 2 0 304.437 3.160 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2C#N)CC1 ZINC001141165285 1092158240 /nfs/dbraw/zinc/15/82/40/1092158240.db2.gz XXSORKJGQNYQCC-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1 ZINC001168818016 1092364666 /nfs/dbraw/zinc/36/46/66/1092364666.db2.gz OXYOIEVBNTWALF-FXAWDEMLSA-N 2 0 322.456 3.011 20 30 DGEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791159 1094289939 /nfs/dbraw/zinc/28/99/39/1094289939.db2.gz ONBGEVJXWICMMH-HOTGVXAUSA-N 2 0 323.525 3.088 20 30 DGEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078142 1094390608 /nfs/dbraw/zinc/39/06/08/1094390608.db2.gz ZHOZZTAEDHHZSD-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C#CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CC1 ZINC001337066293 1094839285 /nfs/dbraw/zinc/83/92/85/1094839285.db2.gz XYKMNBNYEGLCOM-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246024981 1094978902 /nfs/dbraw/zinc/97/89/02/1094978902.db2.gz XBCGXNZHELBOPJ-IAGOWNOFSA-N 2 0 302.478 3.251 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001222453174 1095622064 /nfs/dbraw/zinc/62/20/64/1095622064.db2.gz UCXIIPXFXIDDKY-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP CC(C)C[NH+]1CCC(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194937 1095691393 /nfs/dbraw/zinc/69/13/93/1095691393.db2.gz NNDUEXUBADSJRX-QGZVFWFLSA-N 2 0 313.489 3.447 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340106898 1095865884 /nfs/dbraw/zinc/86/58/84/1095865884.db2.gz WOVMFPBWTBPXAS-ROUUACIJSA-N 2 0 323.525 3.009 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232404 1095877960 /nfs/dbraw/zinc/87/79/60/1095877960.db2.gz RHTGZWIFRXDAIZ-KRWDZBQOSA-N 2 0 320.440 3.015 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398627 1096031181 /nfs/dbraw/zinc/03/11/81/1096031181.db2.gz PLWRLXMDRRWLMJ-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398628 1096031717 /nfs/dbraw/zinc/03/17/17/1096031717.db2.gz PLWRLXMDRRWLMJ-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702679 1096084688 /nfs/dbraw/zinc/08/46/88/1096084688.db2.gz ZGVOUZNENFGQTH-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171619208 1096935650 /nfs/dbraw/zinc/93/56/50/1096935650.db2.gz RGPGRNFEEZRIOO-MRXNPFEDSA-N 2 0 323.525 3.090 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172290158 1097105495 /nfs/dbraw/zinc/10/54/95/1097105495.db2.gz MXLYNWYKNTVEQU-KSZLIROESA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001172290160 1097106022 /nfs/dbraw/zinc/10/60/22/1097106022.db2.gz MXLYNWYKNTVEQU-KZNAEPCWSA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172298086 1097109799 /nfs/dbraw/zinc/10/97/99/1097109799.db2.gz CQHVSGYJPYFUSG-CDHQVMDDSA-N 2 0 311.473 3.471 20 30 DGEDRP C[C@H](CCCC#N)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172489135 1097167008 /nfs/dbraw/zinc/16/70/08/1097167008.db2.gz ZPJNSTSQJMQBFU-KBAYOESNSA-N 2 0 300.450 3.236 20 30 DGEDRP C=CCOC1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC001173313548 1097408577 /nfs/dbraw/zinc/40/85/77/1097408577.db2.gz AIEHUFLKZDUWRK-UHFFFAOYSA-N 2 0 315.461 3.154 20 30 DGEDRP C=CCOC1CCC([NH+]2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001173325671 1097417902 /nfs/dbraw/zinc/41/79/02/1097417902.db2.gz PGOAPYCDJBETRZ-UHFFFAOYSA-N 2 0 315.461 3.026 20 30 DGEDRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CCC(CC#N)CC1 ZINC001173339427 1097421921 /nfs/dbraw/zinc/42/19/21/1097421921.db2.gz HKGKGHRKXVORGH-UHFFFAOYSA-N 2 0 312.461 3.421 20 30 DGEDRP C[NH+](C)Cc1cc(F)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001232146386 1097949953 /nfs/dbraw/zinc/94/99/53/1097949953.db2.gz OYWOKABOIOKROQ-WVJCCSTMSA-N 2 0 301.409 3.154 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175574559 1098101338 /nfs/dbraw/zinc/10/13/38/1098101338.db2.gz XZYAQNWEAIIMKO-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176111456 1098263138 /nfs/dbraw/zinc/26/31/38/1098263138.db2.gz HZSSTFNYOZGWIS-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235154006 1098840006 /nfs/dbraw/zinc/84/00/06/1098840006.db2.gz GYZWQOXHRUCPLG-FQEVSTJZSA-N 2 0 322.456 3.394 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468355 1098842284 /nfs/dbraw/zinc/84/22/84/1098842284.db2.gz UGTKORVOWIJYKD-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235226873 1098899485 /nfs/dbraw/zinc/89/94/85/1098899485.db2.gz BJUFUPWEJMIIAI-HXUWFJFHSA-N 2 0 312.457 3.053 20 30 DGEDRP N#Cc1ccc2c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c[nH]c2c1 ZINC001235230262 1098903650 /nfs/dbraw/zinc/90/36/50/1098903650.db2.gz UTAALNMTSVDTEH-IBGZPJMESA-N 2 0 322.456 3.394 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235231375 1098904240 /nfs/dbraw/zinc/90/42/40/1098904240.db2.gz YAYBJKCRSIQKCH-GOSISDBHSA-N 2 0 301.409 3.051 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178702363 1098913748 /nfs/dbraw/zinc/91/37/48/1098913748.db2.gz MSOOIIWOOQZQIN-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235239847 1098914621 /nfs/dbraw/zinc/91/46/21/1098914621.db2.gz JFZSQPDYIABHSZ-IBGZPJMESA-N 2 0 322.456 3.394 20 30 DGEDRP N#CCCC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277943228 1099007917 /nfs/dbraw/zinc/00/79/17/1099007917.db2.gz PMFUTWHVHWOAPJ-UHFFFAOYSA-N 2 0 317.399 3.421 20 30 DGEDRP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426754 1099019126 /nfs/dbraw/zinc/01/91/26/1099019126.db2.gz LDAWFQXWTDCDOJ-HZPDHXFCSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CCCCC[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277949226 1099063860 /nfs/dbraw/zinc/06/38/60/1099063860.db2.gz UUUYGVZXYDOTMJ-UHFFFAOYSA-N 2 0 314.477 3.387 20 30 DGEDRP CCCCCCCC[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235664275 1099112284 /nfs/dbraw/zinc/11/22/84/1099112284.db2.gz PQJSUCGKGSULIK-UHFFFAOYSA-N 2 0 318.509 3.284 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001235703413 1099137898 /nfs/dbraw/zinc/13/78/98/1099137898.db2.gz UVRCAKIDUKKJOM-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP CCCCCCCCC[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235814136 1099192625 /nfs/dbraw/zinc/19/26/25/1099192625.db2.gz AJPAJAIZZOFBNY-UHFFFAOYSA-N 2 0 309.542 3.497 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235937573 1099272475 /nfs/dbraw/zinc/27/24/75/1099272475.db2.gz IYYCOIFVHXLAMM-VXKWHMMOSA-N 2 0 316.448 3.128 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001204268984 1099413081 /nfs/dbraw/zinc/41/30/81/1099413081.db2.gz RLIYYSSNSNNQCQ-QGZVFWFLSA-N 2 0 315.461 3.143 20 30 DGEDRP CCCCCCCCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236128566 1099415747 /nfs/dbraw/zinc/41/57/47/1099415747.db2.gz LWEQFUIMEMXSQZ-UHFFFAOYSA-N 2 0 309.542 3.497 20 30 DGEDRP N#Cc1cc(F)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374034 1099560909 /nfs/dbraw/zinc/56/09/09/1099560909.db2.gz OHGHCLCNHILQBN-HNNXBMFYSA-N 2 0 315.436 3.442 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236458071 1099623130 /nfs/dbraw/zinc/62/31/30/1099623130.db2.gz QVQPLSMJYDOOTP-UHFFFAOYSA-N 2 0 314.473 3.299 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237527962 1100160410 /nfs/dbraw/zinc/16/04/10/1100160410.db2.gz ZPCNCFJYNUKXBC-UHFFFAOYSA-N 2 0 321.415 3.389 20 30 DGEDRP N#Cc1cc(-c2cccc(C3CC[NH2+]CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240350409 1100953002 /nfs/dbraw/zinc/95/30/02/1100953002.db2.gz AUCXZIXPGPWRNI-UHFFFAOYSA-N 2 0 317.436 3.379 20 30 DGEDRP N#Cc1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)ccc1O ZINC001242567207 1102214891 /nfs/dbraw/zinc/21/48/91/1102214891.db2.gz RRVUPGKHEOZHLP-UHFFFAOYSA-N 2 0 321.424 3.102 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258715877 1103513206 /nfs/dbraw/zinc/51/32/06/1103513206.db2.gz NCXNXIMVPMNEFL-JKSUJKDBSA-N 2 0 300.487 3.099 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245986009 1104348047 /nfs/dbraw/zinc/34/80/47/1104348047.db2.gz UOKZVXLGYBEMGZ-AKHDSKFASA-N 2 0 310.526 3.323 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246014437 1104352307 /nfs/dbraw/zinc/35/23/07/1104352307.db2.gz OCPYENGPNHHSHN-SFHVURJKSA-N 2 0 308.510 3.340 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1F ZINC001246007407 1104352595 /nfs/dbraw/zinc/35/25/95/1104352595.db2.gz ZYOMAIWLADKEAL-OKZBNKHCSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246025436 1104354291 /nfs/dbraw/zinc/35/42/91/1104354291.db2.gz YJNDAAWPTFUFBN-IAGOWNOFSA-N 2 0 300.462 3.027 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246021820 1104355264 /nfs/dbraw/zinc/35/52/64/1104355264.db2.gz HHCRWOUVSMQTHD-RBUKOAKNSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246071255 1104364411 /nfs/dbraw/zinc/36/44/11/1104364411.db2.gz YMVBRBFXJGMVEP-LJQANCHMSA-N 2 0 320.452 3.015 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246102131 1104386447 /nfs/dbraw/zinc/38/64/47/1104386447.db2.gz RGFFVNRILHIXQP-CBZJXEIOSA-N 2 0 311.473 3.420 20 30 DGEDRP C[C@@H]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104088 1104388754 /nfs/dbraw/zinc/38/87/54/1104388754.db2.gz JETJEPCXTFBBDH-IHJVYAAUSA-N 2 0 311.473 3.368 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)CO3)C[C@H](C1)C2 ZINC001246178732 1104424742 /nfs/dbraw/zinc/42/47/42/1104424742.db2.gz OTJXHVUJIZDOOG-SWDXFRIISA-N 2 0 318.505 3.260 20 30 DGEDRP SCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246464909 1104549469 /nfs/dbraw/zinc/54/94/69/1104549469.db2.gz HCYHJZIAFXWVDO-QZTJIDSGSA-N 2 0 306.519 3.430 20 30 DGEDRP C=CCCC[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001274962650 1104557772 /nfs/dbraw/zinc/55/77/72/1104557772.db2.gz QMBWCKYBGLJAFA-UHFFFAOYSA-N 2 0 305.491 3.316 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246642499 1104641982 /nfs/dbraw/zinc/64/19/82/1104641982.db2.gz BVBBPJCXDOPPQD-JXFKEZNVSA-N 2 0 311.473 3.343 20 30 DGEDRP CC[C@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811810 1104685291 /nfs/dbraw/zinc/68/52/91/1104685291.db2.gz RIKCVQZKSQEJGV-PMACEKPBSA-N 2 0 311.473 3.343 20 30 DGEDRP C=CCOc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c1 ZINC001276090842 1105013268 /nfs/dbraw/zinc/01/32/68/1105013268.db2.gz GCWRPQJBNZMIOK-MOPGFXCFSA-N 2 0 300.446 3.406 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252121500 1105744203 /nfs/dbraw/zinc/74/42/03/1105744203.db2.gz GSXOJQBFTJBXDE-LJQANCHMSA-N 2 0 319.493 3.315 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001254647161 1106121440 /nfs/dbraw/zinc/12/14/40/1106121440.db2.gz DZRYABCZOZHIRO-WBVHZDCISA-N 2 0 317.864 3.368 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001254648692 1106121663 /nfs/dbraw/zinc/12/16/63/1106121663.db2.gz NKVOSCUJXXVEBX-ZBFHGGJFSA-N 2 0 317.864 3.368 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001254647160 1106121719 /nfs/dbraw/zinc/12/17/19/1106121719.db2.gz DZRYABCZOZHIRO-RDJZCZTQSA-N 2 0 317.864 3.368 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001254648691 1106121952 /nfs/dbraw/zinc/12/19/52/1106121952.db2.gz NKVOSCUJXXVEBX-HOCLYGCPSA-N 2 0 317.864 3.368 20 30 DGEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254652914 1106123630 /nfs/dbraw/zinc/12/36/30/1106123630.db2.gz IFPYMSLKELWMCU-GTAWCEEGSA-N 2 0 311.473 3.426 20 30 DGEDRP N#CC1CCC([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC1 ZINC001256960416 1106515896 /nfs/dbraw/zinc/51/58/96/1106515896.db2.gz YBSASOGFBRGYCR-UHFFFAOYSA-N 2 0 313.445 3.029 20 30 DGEDRP N#CC1CCC([NH2+]C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001256960246 1106515977 /nfs/dbraw/zinc/51/59/77/1106515977.db2.gz OBFUMLCSDDVBDF-UHFFFAOYSA-N 2 0 313.445 3.029 20 30 DGEDRP CCCCCCC[C@@H](C)[NH+]1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001258043811 1106663682 /nfs/dbraw/zinc/66/36/82/1106663682.db2.gz UBEOGTVBSZNVDZ-MRXNPFEDSA-N 2 0 312.498 3.482 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001258723953 1106929075 /nfs/dbraw/zinc/92/90/75/1106929075.db2.gz JQALOEIRAPSDEY-OQHSHRKDSA-N 2 0 306.434 3.477 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258902866 1107051065 /nfs/dbraw/zinc/05/10/65/1107051065.db2.gz HTIHOQGTUFFGJB-HNNXBMFYSA-N 2 0 312.461 3.451 20 30 DGEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000355783197 530048401 /nfs/dbraw/zinc/04/84/01/530048401.db2.gz SMVBZWSRXDKSIV-UHFFFAOYSA-N 2 0 315.461 3.191 20 30 DGEDRP C=CCCOCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727848 210132897 /nfs/dbraw/zinc/13/28/97/210132897.db2.gz GNWANZLGKPYIHM-MJGOQNOKSA-N 2 0 302.462 3.079 20 30 DGEDRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OCC#N)cc1 ZINC000183948965 533359545 /nfs/dbraw/zinc/35/95/45/533359545.db2.gz NXRNGNCPXJREID-MRXNPFEDSA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000602570614 400499145 /nfs/dbraw/zinc/49/91/45/400499145.db2.gz UFWGXGZMDPQTNR-INIZCTEOSA-N 2 0 319.493 3.082 20 30 DGEDRP CC(C)[NH+](CCC[NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000602569828 400499219 /nfs/dbraw/zinc/49/92/19/400499219.db2.gz SSDMYNRNMZWZNM-QGZVFWFLSA-N 2 0 309.498 3.184 20 30 DGEDRP COc1ccc(C#N)cc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110698 400643832 /nfs/dbraw/zinc/64/38/32/400643832.db2.gz PEQUDDWEGKWYQX-UHFFFAOYSA-N 2 0 315.461 3.265 20 30 DGEDRP N#Cc1ccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000594954135 401205547 /nfs/dbraw/zinc/20/55/47/401205547.db2.gz BZRPPOJPFGVYHF-UHFFFAOYSA-N 2 0 311.473 3.487 20 30 DGEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269433187 432172482 /nfs/dbraw/zinc/17/24/82/432172482.db2.gz QGZGZVZKHMCZJI-UHFFFAOYSA-N 2 0 311.404 3.439 20 30 DGEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)NC1CCCCC1 ZINC000170908887 228269405 /nfs/dbraw/zinc/26/94/05/228269405.db2.gz KPNBSVSEASWOHU-UHFFFAOYSA-N 2 0 314.477 3.019 20 30 DGEDRP N#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000369674530 268074171 /nfs/dbraw/zinc/07/41/71/268074171.db2.gz VNQATZZDFFRBAW-KRWDZBQOSA-N 2 0 309.413 3.153 20 30 DGEDRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(OCC#N)cc1 ZINC000183948946 278255868 /nfs/dbraw/zinc/25/58/68/278255868.db2.gz NXRNGNCPXJREID-INIZCTEOSA-N 2 0 315.461 3.362 20 30 DGEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000048709826 431931344 /nfs/dbraw/zinc/93/13/44/431931344.db2.gz QXDBVUZCSNEZDK-UHFFFAOYSA-N 2 0 305.425 3.444 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272498254 432511970 /nfs/dbraw/zinc/51/19/70/432511970.db2.gz DHGNREBRPZCWSF-INIZCTEOSA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751355 432530171 /nfs/dbraw/zinc/53/01/71/432530171.db2.gz QNQBKJGPQYFNHE-ZBFHGGJFSA-N 2 0 315.436 3.440 20 30 DGEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000186310125 432581790 /nfs/dbraw/zinc/58/17/90/432581790.db2.gz BTDNQTORSJTNEH-QUCCMNQESA-N 2 0 309.457 3.315 20 30 DGEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000267448583 432834733 /nfs/dbraw/zinc/83/47/33/432834733.db2.gz QPCDSSUWIJCOHL-SFHVURJKSA-N 2 0 308.429 3.078 20 30 DGEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000267462660 432834991 /nfs/dbraw/zinc/83/49/91/432834991.db2.gz KMVYQSVODZBDCK-UHFFFAOYSA-N 2 0 302.466 3.171 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281611891 433322636 /nfs/dbraw/zinc/32/26/36/433322636.db2.gz GRFKHPGJGXPKSR-OAHLLOKOSA-N 2 0 303.450 3.167 20 30 DGEDRP C[NH+](C)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426995523 433637488 /nfs/dbraw/zinc/63/74/88/433637488.db2.gz QXZJDBLBQSWKAF-UHFFFAOYSA-N 2 0 324.390 3.331 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422835656 434039757 /nfs/dbraw/zinc/03/97/57/434039757.db2.gz PUKMGTDALSBYQZ-UAFMIMERSA-N 2 0 319.537 3.195 20 30 DGEDRP CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310028015 434110077 /nfs/dbraw/zinc/11/00/77/434110077.db2.gz WIDCBUKULXYQSG-OALUTQOASA-N 2 0 311.473 3.380 20 30 DGEDRP CCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367022440 434535356 /nfs/dbraw/zinc/53/53/56/434535356.db2.gz SXWWSYDZVCMMLN-OALUTQOASA-N 2 0 309.542 3.305 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000369721328 434598397 /nfs/dbraw/zinc/59/83/97/434598397.db2.gz MRPDMGPJKIFFAT-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530221295 435043859 /nfs/dbraw/zinc/04/38/59/435043859.db2.gz PHPISJKPHVFPEU-JLAWEPINSA-N 2 0 309.457 3.265 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000651733318 435808216 /nfs/dbraw/zinc/80/82/16/435808216.db2.gz DJMRVYPNEYRRRV-QXCFHYIPSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812712 435835292 /nfs/dbraw/zinc/83/52/92/435835292.db2.gz IXCWWJPDUFHYSK-AEFFLSMTSA-N 2 0 317.477 3.247 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657924611 436341577 /nfs/dbraw/zinc/34/15/77/436341577.db2.gz CQRGNHOWMVQNIX-QXCFHYIPSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167427 436393361 /nfs/dbraw/zinc/39/33/61/436393361.db2.gz SDUIHROAIRXZGT-IRXDYDNUSA-N 2 0 301.478 3.484 20 30 DGEDRP N#CCCC1CC[NH+](CCC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000584289284 332217472 /nfs/dbraw/zinc/21/74/72/332217472.db2.gz CAXIRTFGMKFOAA-UHFFFAOYSA-N 2 0 316.493 3.408 20 30 DGEDRP C[N@H+](CC1(C#N)CCC1)[C@@H]1CCCN(CC2(C#N)CCC2)CC1 ZINC000574486069 332380146 /nfs/dbraw/zinc/38/01/46/332380146.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 2 0 314.477 3.160 20 30 DGEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000185813639 534748587 /nfs/dbraw/zinc/74/85/87/534748587.db2.gz CIJRAPWBNYJETD-SLFFLAALSA-N 2 0 311.473 3.223 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000430936438 526865572 /nfs/dbraw/zinc/86/55/72/526865572.db2.gz YNICFSAWDQLTJK-UHFFFAOYSA-N 2 0 320.864 3.480 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347020980 526898635 /nfs/dbraw/zinc/89/86/35/526898635.db2.gz NLQXFKVCKPHCQT-LJQANCHMSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290361322 527141570 /nfs/dbraw/zinc/14/15/70/527141570.db2.gz QUORSGQCPSZCKZ-HOTGVXAUSA-N 2 0 305.466 3.102 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288641107 527982136 /nfs/dbraw/zinc/98/21/36/527982136.db2.gz CPXGYHJXKCTSTJ-CYBMUJFWSA-N 2 0 324.419 3.059 20 30 DGEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442713370 528155059 /nfs/dbraw/zinc/15/50/59/528155059.db2.gz WJVQJRWOWXWPQI-FUHWJXTLSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073904 545999819 /nfs/dbraw/zinc/99/98/19/545999819.db2.gz RKAOSSXTWYAIAN-MJGOQNOKSA-N 2 0 307.526 3.005 20 30 DGEDRP C(#CC[N@@H+]1CC[C@H](c2ccco2)C1)C[NH+]1CC[C@H](c2ccco2)C1 ZINC000671241563 547779829 /nfs/dbraw/zinc/77/98/29/547779829.db2.gz ZVQFJBHFKBARJE-ROUUACIJSA-N 2 0 324.424 3.155 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679044843 548822277 /nfs/dbraw/zinc/82/22/77/548822277.db2.gz REYNMIKYWGOUKX-BJLQDIEVSA-N 2 0 316.489 3.204 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619154 618510945 /nfs/dbraw/zinc/51/09/45/618510945.db2.gz LCOLRAOWBFTLLD-IXDOHACOSA-N 2 0 315.461 3.363 20 30 DGEDRP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925773996 618615066 /nfs/dbraw/zinc/61/50/66/618615066.db2.gz QUTOUBPDVIJJOK-GJZGRUSLSA-N 2 0 303.475 3.276 20 30 DGEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361909 619627458 /nfs/dbraw/zinc/62/74/58/619627458.db2.gz OCNXSPHWQWNYRH-IRXDYDNUSA-N 2 0 315.461 3.235 20 30 DGEDRP N#CCC1(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902385159 619629165 /nfs/dbraw/zinc/62/91/65/619629165.db2.gz YDTTUIGWTFVPHB-INIZCTEOSA-N 2 0 307.388 3.418 20 30 DGEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746880 619669386 /nfs/dbraw/zinc/66/93/86/619669386.db2.gz ADOBGPCGKBAAGH-BRWVUGGUSA-N 2 0 314.477 3.362 20 30 DGEDRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)cc(C#N)c1)CC[NH2+]CC2 ZINC000903460112 619777002 /nfs/dbraw/zinc/77/70/02/619777002.db2.gz XLDIGODRWUPJPR-CYBMUJFWSA-N 2 0 303.837 3.176 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000903761533 619809129 /nfs/dbraw/zinc/80/91/29/619809129.db2.gz VPIRUVFFWMWCHX-ZWKOTPCHSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000903765121 619809625 /nfs/dbraw/zinc/80/96/25/619809625.db2.gz YJEHVWQGAGXDRM-RCCFBDPRSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CCC1 ZINC000903769041 619810077 /nfs/dbraw/zinc/81/00/77/619810077.db2.gz YEBDYCYSWVGWBE-KSZLIROESA-N 2 0 319.493 3.211 20 30 DGEDRP C=CCC[C@@H](O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343823 621178404 /nfs/dbraw/zinc/17/84/04/621178404.db2.gz XORAPPXKIFXIBM-IAGOWNOFSA-N 2 0 320.502 3.019 20 30 DGEDRP CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1F ZINC000859211946 621260694 /nfs/dbraw/zinc/26/06/94/621260694.db2.gz HNPKWYQZQAUVMS-UHFFFAOYSA-N 2 0 311.404 3.391 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862547391 621599926 /nfs/dbraw/zinc/59/99/26/621599926.db2.gz DPGJTRNWJHDDHF-LMMKCTJWSA-N 2 0 306.494 3.048 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000865846933 622006589 /nfs/dbraw/zinc/00/65/89/622006589.db2.gz BGLKTIHZWQFFTF-HXUWFJFHSA-N 2 0 323.484 3.412 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000765426584 622264828 /nfs/dbraw/zinc/26/48/28/622264828.db2.gz NLZIOETZIGSOIW-MRXNPFEDSA-N 2 0 312.457 3.366 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000768304138 622449669 /nfs/dbraw/zinc/44/96/69/622449669.db2.gz SPVIOKRFTPCPEG-UHFFFAOYSA-N 2 0 314.473 3.252 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155983 622836550 /nfs/dbraw/zinc/83/65/50/622836550.db2.gz BXDBSGAMXKHWMM-KBXCAEBGSA-N 2 0 301.434 3.271 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000772983167 622961563 /nfs/dbraw/zinc/96/15/63/622961563.db2.gz JSCQYFMJGGCHIT-SUMDDJOVSA-N 2 0 315.461 3.187 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000873236785 623086992 /nfs/dbraw/zinc/08/69/92/623086992.db2.gz DXNFHEJLHFVLTI-INIZCTEOSA-N 2 0 320.436 3.195 20 30 DGEDRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244245 623089548 /nfs/dbraw/zinc/08/95/48/623089548.db2.gz KORXFSXIPJGGPE-HOCLYGCPSA-N 2 0 301.434 3.018 20 30 DGEDRP C[NH+]1CCN(c2ccc(C=[NH+]OC3CCCCC3)cc2)CC1 ZINC000777457376 623528401 /nfs/dbraw/zinc/52/84/01/623528401.db2.gz ROZQSASBUMHPPN-UHFFFAOYSA-N 2 0 301.434 3.122 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC000879249862 624463969 /nfs/dbraw/zinc/46/39/69/624463969.db2.gz DAUKQWOVIKSBAB-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CCC[C@@H](COc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000883210233 626609925 /nfs/dbraw/zinc/60/99/25/626609925.db2.gz PWDBNVSFIAQFKN-SFHVURJKSA-N 2 0 300.446 3.252 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883210181 626609958 /nfs/dbraw/zinc/60/99/58/626609958.db2.gz PHRWLBKXXMJZIB-AZUAARDMSA-N 2 0 312.457 3.176 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883210182 626609989 /nfs/dbraw/zinc/60/99/89/626609989.db2.gz PHRWLBKXXMJZIB-ICSRJNTNSA-N 2 0 312.457 3.176 20 30 DGEDRP C=CC[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000883435843 626682049 /nfs/dbraw/zinc/68/20/49/626682049.db2.gz DVLODVMNARFVMH-CQSZACIVSA-N 2 0 302.466 3.021 20 30 DGEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000809615274 626926693 /nfs/dbraw/zinc/92/66/93/626926693.db2.gz XQKZDMWVIAGMHQ-QFIPXVFZSA-N 2 0 318.464 3.322 20 30 DGEDRP C[NH+](CCCF)Cc1cc(C#N)cc(C[N@H+](C)CCCF)c1 ZINC000887142787 627229135 /nfs/dbraw/zinc/22/91/35/627229135.db2.gz ZZUDCNZWDLPVQD-UHFFFAOYSA-N 2 0 309.404 3.141 20 30 DGEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104181560 627412681 /nfs/dbraw/zinc/41/26/81/627412681.db2.gz OQDTZQWAMGPMJA-MRXNPFEDSA-N 2 0 318.465 3.076 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779298 627793777 /nfs/dbraw/zinc/79/37/77/627793777.db2.gz WOEFPMOZYZRQNF-WBVHZDCISA-N 2 0 319.399 3.160 20 30 DGEDRP COc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000926449529 627897234 /nfs/dbraw/zinc/89/72/34/627897234.db2.gz OZCXNQCKLNIXMH-OAHLLOKOSA-N 2 0 323.440 3.479 20 30 DGEDRP C=CCc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000817909361 627959380 /nfs/dbraw/zinc/95/93/80/627959380.db2.gz OKWUFBKXJKBAOY-IRXDYDNUSA-N 2 0 318.461 3.039 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000817967686 627977755 /nfs/dbraw/zinc/97/77/55/627977755.db2.gz KXOULKSIGDKPFQ-AWEZNQCLSA-N 2 0 306.837 3.388 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000817971410 627980257 /nfs/dbraw/zinc/98/02/57/627980257.db2.gz LYHPZNIBYAVONJ-RVSPLBMKSA-N 2 0 308.853 3.467 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000817975543 627981097 /nfs/dbraw/zinc/98/10/97/627981097.db2.gz NMCKSHKDOJHLLU-BRWVUGGUSA-N 2 0 300.446 3.114 20 30 DGEDRP C=CCN1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810253 628299152 /nfs/dbraw/zinc/29/91/52/628299152.db2.gz SPDMEASSIDFZBR-MRXNPFEDSA-N 2 0 301.478 3.049 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000827564624 628971181 /nfs/dbraw/zinc/97/11/81/628971181.db2.gz DWUSPBHVCRDPEJ-VDGAXYAQSA-N 2 0 318.505 3.048 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000834908661 629805684 /nfs/dbraw/zinc/80/56/84/629805684.db2.gz GKWAIAUYUFZOOL-MRXNPFEDSA-N 2 0 300.446 3.224 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849101855 631836184 /nfs/dbraw/zinc/83/61/84/631836184.db2.gz RNMVZWMZXCWYMA-AEFFLSMTSA-N 2 0 316.493 3.442 20 30 DGEDRP C[NH+](C)C1(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CCC1 ZINC000849108418 631838460 /nfs/dbraw/zinc/83/84/60/631838460.db2.gz LNDAAPPJVVVPAF-UHFFFAOYSA-N 2 0 314.477 3.425 20 30 DGEDRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000186889974 660580658 /nfs/dbraw/zinc/58/06/58/660580658.db2.gz INWFVRNBIYKQRU-IBGZPJMESA-N 2 0 322.456 3.324 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000261982874 657271395 /nfs/dbraw/zinc/27/13/95/657271395.db2.gz JJRLZCAOWWNWRE-UHFFFAOYSA-N 2 0 320.864 3.480 20 30 DGEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CC1 ZINC000262311028 657503708 /nfs/dbraw/zinc/50/37/08/657503708.db2.gz PAJGADHOROPZMI-CQSZACIVSA-N 2 0 322.522 3.224 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303778026 657562591 /nfs/dbraw/zinc/56/25/91/657562591.db2.gz JGSMWBJNRBWADD-INIZCTEOSA-N 2 0 314.477 3.041 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC000303790840 657563355 /nfs/dbraw/zinc/56/33/55/657563355.db2.gz WXKGGRRRPQBLHX-KRWDZBQOSA-N 2 0 302.466 3.150 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000303787791 657563361 /nfs/dbraw/zinc/56/33/61/657563361.db2.gz SUYHKXTVZIWRSB-UHFFFAOYSA-N 2 0 302.466 3.240 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000303886660 657571590 /nfs/dbraw/zinc/57/15/90/657571590.db2.gz KLWXKCYSGVXWNE-HUUCEWRRSA-N 2 0 302.466 3.239 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000303908867 657578873 /nfs/dbraw/zinc/57/88/73/657578873.db2.gz XVUJUQYTNBXTOH-XJKSGUPXSA-N 2 0 302.466 3.150 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303981355 657584029 /nfs/dbraw/zinc/58/40/29/657584029.db2.gz OZPNIYLGSCHPPM-ZDUSSCGKSA-N 2 0 302.466 3.021 20 30 DGEDRP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCCC1 ZINC000304643906 657640895 /nfs/dbraw/zinc/64/08/95/657640895.db2.gz DLSINGPCMCJPHP-OAHLLOKOSA-N 2 0 314.477 3.024 20 30 DGEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304712969 657644688 /nfs/dbraw/zinc/64/46/88/657644688.db2.gz YYKUXKDXRCRDOJ-AWEZNQCLSA-N 2 0 302.466 3.022 20 30 DGEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccccc1 ZINC000304765744 657649983 /nfs/dbraw/zinc/64/99/83/657649983.db2.gz ZQXANANFOFXTQV-HOTGVXAUSA-N 2 0 316.493 3.162 20 30 DGEDRP C[C@H](CCNC(=[NH2+])N1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC000305091962 657678751 /nfs/dbraw/zinc/67/87/51/657678751.db2.gz XHUIJWMQZCWFBO-QGZVFWFLSA-N 2 0 316.493 3.088 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303911932 657698989 /nfs/dbraw/zinc/69/89/89/657698989.db2.gz ZXZMIDVGCZMKGO-HUUCEWRRSA-N 2 0 302.466 3.239 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000174551251 659440710 /nfs/dbraw/zinc/44/07/10/659440710.db2.gz PXUHMOQXVKWMSN-MRXNPFEDSA-N 2 0 315.461 3.189 20 30 DGEDRP N#CC1CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000930060167 659901847 /nfs/dbraw/zinc/90/18/47/659901847.db2.gz GHFJGIVCMYCRFA-WXVPWVKJSA-N 2 0 301.478 3.265 20 30 DGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175010985 659914934 /nfs/dbraw/zinc/91/49/34/659914934.db2.gz YSVVVPXODQADDD-QZTJIDSGSA-N 2 0 300.446 3.051 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000247231638 662304243 /nfs/dbraw/zinc/30/42/43/662304243.db2.gz YIQZXHPHIZKFIK-SJORKVTESA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066720 662327133 /nfs/dbraw/zinc/32/71/33/662327133.db2.gz VSTQTLFEEAQTJI-NQIIRXRSSA-N 2 0 324.468 3.147 20 30 DGEDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001578571447 1191948442 /nfs/dbraw/zinc/94/84/42/1191948442.db2.gz OIQFWIQZOKDISU-INIZCTEOSA-N 2 0 323.440 3.225 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)C1 ZINC001275950082 1177941547 /nfs/dbraw/zinc/94/15/47/1177941547.db2.gz OWCCNHWOBWGJRR-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001333840810 1178683454 /nfs/dbraw/zinc/68/34/54/1178683454.db2.gz IKIHZIMUGQOIRD-IPMKNSEASA-N 2 0 314.473 3.414 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001341634615 1179041074 /nfs/dbraw/zinc/04/10/74/1179041074.db2.gz QSFBGKXKDVDNIW-ZWKOTPCHSA-N 2 0 323.525 3.055 20 30 DGEDRP C=C[C@H](COC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001354245443 1180755415 /nfs/dbraw/zinc/75/54/15/1180755415.db2.gz ZMYSOTYJYFOIEW-XUBOLADHSA-N 2 0 314.473 3.363 20 30 DGEDRP C=CCN1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473981617 1183842437 /nfs/dbraw/zinc/84/24/37/1183842437.db2.gz MAFPSAIWQUDKPM-UHFFFAOYSA-N 2 0 310.388 3.336 20 30 DGEDRP COc1cc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001474647416 1183954865 /nfs/dbraw/zinc/95/48/65/1183954865.db2.gz PFHRMDONBXPVNK-MAUKXSAKSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC001560296367 1189307334 /nfs/dbraw/zinc/30/73/34/1189307334.db2.gz NJOHRUOAUDCWHM-WMZOPIPTSA-N 2 0 302.462 3.461 20 30 DGEDRP CC(C)(C#N)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001575098862 1191466345 /nfs/dbraw/zinc/46/63/45/1191466345.db2.gz GRWXMCXZVBNYRK-SFHVURJKSA-N 2 0 311.473 3.309 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001660468520 1196486879 /nfs/dbraw/zinc/48/68/79/1196486879.db2.gz ZVRWBWNNNSXZDC-BTHPGYMESA-N 2 0 311.473 3.426 20 30 DGEDRP C=CCCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001663403492 1196857507 /nfs/dbraw/zinc/85/75/07/1196857507.db2.gz HVVAJEJFQMHJGC-UHFFFAOYSA-N 2 0 303.450 3.025 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000104173342 1199516552 /nfs/dbraw/zinc/51/65/52/1199516552.db2.gz UMYWHQAWXYXWOT-INIZCTEOSA-N 2 0 322.456 3.168 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000303870957 1199601594 /nfs/dbraw/zinc/60/15/94/1199601594.db2.gz BMLLHZRINQXADB-MRXNPFEDSA-N 2 0 302.466 3.376 20 30 DGEDRP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001690440471 1200555947 /nfs/dbraw/zinc/55/59/47/1200555947.db2.gz GIEMPXUMVRJBTI-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733860758 1205233976 /nfs/dbraw/zinc/23/39/76/1205233976.db2.gz YKPBMZWDYNPOFJ-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001134736325 1083325866 /nfs/dbraw/zinc/32/58/66/1083325866.db2.gz CKCZRYUZIKKALL-UONOGXRCSA-N 2 0 314.433 3.016 20 30 DGEDRP N#Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964715 1085834594 /nfs/dbraw/zinc/83/45/94/1085834594.db2.gz WSECAKFBBQMQCS-IHWFROFDSA-N 2 0 309.457 3.096 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867561 1088998269 /nfs/dbraw/zinc/99/82/69/1088998269.db2.gz HEDRPWBVDOXELY-QZTJIDSGSA-N 2 0 323.525 3.070 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612420 1089186045 /nfs/dbraw/zinc/18/60/45/1089186045.db2.gz UNZPWONEYVUUFN-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C[NH+]1CCC(Oc2cc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c2)CC1 ZINC001157055114 1089804127 /nfs/dbraw/zinc/80/41/27/1089804127.db2.gz MTNBJPIMQRDKJQ-SHTZXODSSA-N 2 0 314.433 3.049 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255340 1089893713 /nfs/dbraw/zinc/89/37/13/1089893713.db2.gz KBPKZBKEPOUHJV-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C1 ZINC001208607531 1092425134 /nfs/dbraw/zinc/42/51/34/1092425134.db2.gz BMJYEQWVQWKCDR-FQEVSTJZSA-N 2 0 311.473 3.155 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001169141629 1092557452 /nfs/dbraw/zinc/55/74/52/1092557452.db2.gz RAVKZUWROBHCLN-ACDBMABISA-N 2 0 309.457 3.363 20 30 DGEDRP C=CCCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209200427 1092692033 /nfs/dbraw/zinc/69/20/33/1092692033.db2.gz JEXGPZHTWSPWTC-KRWDZBQOSA-N 2 0 322.493 3.082 20 30 DGEDRP C=CCCCC[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001209207675 1092695110 /nfs/dbraw/zinc/69/51/10/1092695110.db2.gz BJRUFADMJZOTRW-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP CC(C)(C#N)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210269335 1093102908 /nfs/dbraw/zinc/10/29/08/1093102908.db2.gz RQXVIUWXXDWKJC-UHFFFAOYSA-N 2 0 321.428 3.036 20 30 DGEDRP C[NH2+][C@H]1C[C@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001217764266 1094491493 /nfs/dbraw/zinc/49/14/93/1094491493.db2.gz OUVRECNQLJWCOM-QAQDUYKDSA-N 2 0 314.474 3.490 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217768823 1094492830 /nfs/dbraw/zinc/49/28/30/1094492830.db2.gz BEKNINLILSEJJW-APWZRJJASA-N 2 0 314.474 3.347 20 30 DGEDRP F[C@H]1C[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217778297 1094493953 /nfs/dbraw/zinc/49/39/53/1094493953.db2.gz QZMDSIHOTVSCEZ-ZWKOTPCHSA-N 2 0 318.437 3.049 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088076 1095003946 /nfs/dbraw/zinc/00/39/46/1095003946.db2.gz INMSYDDPHUSTDZ-YESZJQIVSA-N 2 0 302.478 3.168 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171121285 1095434549 /nfs/dbraw/zinc/43/45/49/1095434549.db2.gz RUABAZYDUUKHFH-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(C[NH+]2CCC3(C[NH2+]C3)CC2)s1 ZINC001222202621 1095491765 /nfs/dbraw/zinc/49/17/65/1095491765.db2.gz APQOQSGTJFETEF-UHFFFAOYSA-N 2 0 322.477 3.333 20 30 DGEDRP CCCCCCCC[N@@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215965 1095496406 /nfs/dbraw/zinc/49/64/06/1095496406.db2.gz QDMPCLRWGMPGMH-KRWDZBQOSA-N 2 0 324.509 3.354 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171247275 1095918808 /nfs/dbraw/zinc/91/88/08/1095918808.db2.gz KOUXHQFVZGTOQM-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC001340517669 1095967677 /nfs/dbraw/zinc/96/76/77/1095967677.db2.gz VHRRZZWWIUFENP-IAGOWNOFSA-N 2 0 300.446 3.081 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398299 1096031882 /nfs/dbraw/zinc/03/18/82/1096031882.db2.gz NQJYPARELOIDDY-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340982093 1096085495 /nfs/dbraw/zinc/08/54/95/1096085495.db2.gz DTMSVBZBQDVATD-INIZCTEOSA-N 2 0 303.450 3.306 20 30 DGEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001273447132 1096479760 /nfs/dbraw/zinc/47/97/60/1096479760.db2.gz VHYJHXNAMJRQTG-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001172311735 1097098175 /nfs/dbraw/zinc/09/81/75/1097098175.db2.gz XAPQTZVVWXFXAH-KRWDZBQOSA-N 2 0 311.473 3.297 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001172297424 1097108951 /nfs/dbraw/zinc/10/89/51/1097108951.db2.gz PIPQNZZJDPIUQR-INIZCTEOSA-N 2 0 311.473 3.486 20 30 DGEDRP CC(C)C[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299791 1097109955 /nfs/dbraw/zinc/10/99/55/1097109955.db2.gz NWMWAUMRKBONDQ-QGZVFWFLSA-N 2 0 313.489 3.447 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001173309662 1097408140 /nfs/dbraw/zinc/40/81/40/1097408140.db2.gz JCCAWBSADJWDPQ-JKSUJKDBSA-N 2 0 300.487 3.243 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001173317116 1097427494 /nfs/dbraw/zinc/42/74/94/1097427494.db2.gz AZZXQUWYZMULBT-UHFFFAOYSA-N 2 0 306.494 3.484 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284594 1097468795 /nfs/dbraw/zinc/46/87/95/1097468795.db2.gz MMDMLMSRXLHZNV-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178633828 1098894686 /nfs/dbraw/zinc/89/46/86/1098894686.db2.gz GWLRAFZWXXKOMD-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235242299 1098916660 /nfs/dbraw/zinc/91/66/60/1098916660.db2.gz VVRCEJLALNWICV-QGZVFWFLSA-N 2 0 301.409 3.051 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1)c1ccccc1 ZINC001235340741 1098964734 /nfs/dbraw/zinc/96/47/34/1098964734.db2.gz LUGKHCVHOCWUKH-OAQYLSRUSA-N 2 0 316.448 3.128 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1Cl ZINC001235704861 1099138274 /nfs/dbraw/zinc/13/82/74/1099138274.db2.gz BBJLQFCYFKZLKL-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967564 1099277484 /nfs/dbraw/zinc/27/74/84/1099277484.db2.gz GBRFSGJMUPDZTO-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001180035815 1099288185 /nfs/dbraw/zinc/28/81/85/1099288185.db2.gz SXJUNEJRGNRXPP-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236077806 1099375019 /nfs/dbraw/zinc/37/50/19/1099375019.db2.gz CYEFREAXRRPAQP-CSHXORCISA-N 2 0 307.526 3.258 20 30 DGEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](CCOCC)C2CC[NH2+]CC2)CC1 ZINC001236459784 1099622412 /nfs/dbraw/zinc/62/24/12/1099622412.db2.gz FKKJOEIKQDPPON-GOSISDBHSA-N 2 0 306.494 3.380 20 30 DGEDRP COc1ccc(C#N)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001236546393 1099673969 /nfs/dbraw/zinc/67/39/69/1099673969.db2.gz FOQDNZAFXBZNGO-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@H]12 ZINC001236832923 1099817391 /nfs/dbraw/zinc/81/73/91/1099817391.db2.gz XNMDTDANLDVLNN-FFZOFVMBSA-N 2 0 322.477 3.317 20 30 DGEDRP CCCCCCCC[N@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001237037145 1099935960 /nfs/dbraw/zinc/93/59/60/1099935960.db2.gz GHRFCURFMHPIET-UHFFFAOYSA-N 3 0 309.542 3.495 20 30 DGEDRP CCCCCCCCCCOC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239325429 1100633802 /nfs/dbraw/zinc/63/38/02/1100633802.db2.gz OHXHULGSWCVBQN-UHFFFAOYSA-N 2 0 315.502 3.182 20 30 DGEDRP C[N@@H+]1CC[C@@H](c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)C1 ZINC001240361489 1100959275 /nfs/dbraw/zinc/95/92/75/1100959275.db2.gz QXCGWQQFYXPWKZ-GOSISDBHSA-N 2 0 317.436 3.331 20 30 DGEDRP Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001242479791 1102158373 /nfs/dbraw/zinc/15/83/73/1102158373.db2.gz JIUGQXHINXMRST-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C[C@H]1CC(=O)C=C(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001242745629 1102323024 /nfs/dbraw/zinc/32/30/24/1102323024.db2.gz VCYMRDHDGKJKKG-OAHLLOKOSA-N 2 0 312.457 3.240 20 30 DGEDRP C[NH2+]Cc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001242993590 1102461565 /nfs/dbraw/zinc/46/15/65/1102461565.db2.gz UKJLEDPYVZSCJC-UHFFFAOYSA-N 2 0 305.425 3.218 20 30 DGEDRP COc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(C#N)c1 ZINC001243731299 1102946623 /nfs/dbraw/zinc/94/66/23/1102946623.db2.gz WGVNVUQYJBIDIO-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC001327846861 1103741798 /nfs/dbraw/zinc/74/17/98/1103741798.db2.gz WPTLAFKITHBTIF-UHFFFAOYSA-N 2 0 323.484 3.322 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979475 1104346034 /nfs/dbraw/zinc/34/60/34/1104346034.db2.gz KBLLKZNOCYKXQK-ZWKOTPCHSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246019942 1104353881 /nfs/dbraw/zinc/35/38/81/1104353881.db2.gz BHSPXYOBCKDNTC-SFHVURJKSA-N 2 0 308.510 3.482 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246018040 1104354985 /nfs/dbraw/zinc/35/49/85/1104354985.db2.gz LMGPSECBXATIGV-YDZRNGNQSA-N 2 0 308.510 3.242 20 30 DGEDRP C=CCC[C@@H](O)C[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065108 1104363213 /nfs/dbraw/zinc/36/32/13/1104363213.db2.gz GWXRRMUQARAFTJ-GUDVDZBRSA-N 2 0 308.510 3.466 20 30 DGEDRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246102134 1104385608 /nfs/dbraw/zinc/38/56/08/1104385608.db2.gz RGFFVNRILHIXQP-ZRFLGMCQSA-N 2 0 311.473 3.420 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001274890390 1104535012 /nfs/dbraw/zinc/53/50/12/1104535012.db2.gz HOJZMNGCXSDCJC-HXUWFJFHSA-N 2 0 311.473 3.299 20 30 DGEDRP CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001275117364 1104632357 /nfs/dbraw/zinc/63/23/57/1104632357.db2.gz BZGZCPNKYROGQS-RBUKOAKNSA-N 2 0 314.477 3.221 20 30 DGEDRP CCCCCCCCC[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275132461 1104642309 /nfs/dbraw/zinc/64/23/09/1104642309.db2.gz TUACYYNMIHZCDJ-RBUKOAKNSA-N 2 0 309.542 3.305 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246663165 1104654707 /nfs/dbraw/zinc/65/47/07/1104654707.db2.gz XAVTZGLPVQNHDK-UZLBHIALSA-N 2 0 311.473 3.343 20 30 DGEDRP C=CCCCCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276040229 1105003279 /nfs/dbraw/zinc/00/32/79/1105003279.db2.gz KEQGFLMLTBDPFY-HXUWFJFHSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCCCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276047347 1105005036 /nfs/dbraw/zinc/00/50/36/1105005036.db2.gz MNIOJGZKQURPRM-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001248752749 1105155278 /nfs/dbraw/zinc/15/52/78/1105155278.db2.gz ZBMVADDDHOAFAP-UHFFFAOYSA-N 2 0 311.473 3.428 20 30 DGEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001252602352 1105800024 /nfs/dbraw/zinc/80/00/24/1105800024.db2.gz QPAMURURVSPJOQ-LJQANCHMSA-N 2 0 308.510 3.148 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001252625276 1105807921 /nfs/dbraw/zinc/80/79/21/1105807921.db2.gz UFIUZIQHCACAPD-YZGWKJHDSA-N 2 0 316.489 3.061 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001252985828 1105865535 /nfs/dbraw/zinc/86/55/35/1105865535.db2.gz QASMRJQLJODVDE-CEXWTWQISA-N 2 0 310.526 3.372 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c2ccccc2[nH+]1 ZINC001254660031 1106126332 /nfs/dbraw/zinc/12/63/32/1106126332.db2.gz FQLUJGYEIICWDJ-SJORKVTESA-N 2 0 320.440 3.358 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695838 1106470645 /nfs/dbraw/zinc/47/06/45/1106470645.db2.gz PLSLKNXKJDYIDW-UHFFFAOYSA-N 2 0 314.473 3.318 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCC(C#N)CC4)C[C@@H]3C2)cc1 ZINC001256966826 1106517601 /nfs/dbraw/zinc/51/76/01/1106517601.db2.gz OOTOYNUSOIPRLM-WWFYLNGCSA-N 2 0 323.484 3.441 20 30 DGEDRP CC(C)C[NH+]1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001258005938 1106656485 /nfs/dbraw/zinc/65/64/85/1106656485.db2.gz YASXJTHILYFPNJ-UHFFFAOYSA-N 2 0 324.472 3.307 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001258724025 1106928572 /nfs/dbraw/zinc/92/85/72/1106928572.db2.gz LIINWTPJFIHXRM-INIZCTEOSA-N 2 0 302.462 3.386 20 30 DGEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001258720053 1106929561 /nfs/dbraw/zinc/92/95/61/1106929561.db2.gz QIERICZIRMLBIT-SFHVURJKSA-N 2 0 315.505 3.268 20 30 DGEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731016 1106938245 /nfs/dbraw/zinc/93/82/45/1106938245.db2.gz TZCSMCAFAULEOM-YTQUADARSA-N 2 0 306.494 3.164 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000181627131 199329346 /nfs/dbraw/zinc/32/93/46/199329346.db2.gz IWGBUMRKGIMLDW-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP COc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000104169754 432014298 /nfs/dbraw/zinc/01/42/98/432014298.db2.gz HQBPGLZJSXVQEJ-HNNXBMFYSA-N 2 0 318.465 3.076 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000339203476 283058678 /nfs/dbraw/zinc/05/86/78/283058678.db2.gz VCVUWNKUHSQPGE-WCIQWLHISA-N 2 0 309.457 3.133 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297613923 283067364 /nfs/dbraw/zinc/06/73/64/283067364.db2.gz KVBOZIKNQYKSKL-HOTGVXAUSA-N 2 0 306.413 3.049 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000344406140 254266898 /nfs/dbraw/zinc/26/68/98/254266898.db2.gz BJGZTNJMZQOEFQ-LJQANCHMSA-N 2 0 323.415 3.452 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000124922595 195694017 /nfs/dbraw/zinc/69/40/17/195694017.db2.gz QMSHVMWMDOEUBQ-HNNXBMFYSA-N 2 0 303.450 3.167 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000609133420 400142888 /nfs/dbraw/zinc/14/28/88/400142888.db2.gz APZYRJMFSSRSNJ-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP CN(CCC[N@H+](C)CCc1ccc(C#N)cc1)Cc1ccco1 ZINC000595481833 400163792 /nfs/dbraw/zinc/16/37/92/400163792.db2.gz CEPCXXSAROBGJH-UHFFFAOYSA-N 2 0 311.429 3.148 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000602515499 400485020 /nfs/dbraw/zinc/48/50/20/400485020.db2.gz WWZGBKMBLAHNPY-QZTJIDSGSA-N 2 0 321.509 3.330 20 30 DGEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000602656162 400527621 /nfs/dbraw/zinc/52/76/21/400527621.db2.gz WPKKWSAFYFZPSU-INIZCTEOSA-N 2 0 315.461 3.189 20 30 DGEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597111138 400560175 /nfs/dbraw/zinc/56/01/75/400560175.db2.gz NNVQWXDEEMUCBA-UHFFFAOYSA-N 2 0 309.457 3.302 20 30 DGEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1(CC#N)CC1 ZINC000602808199 400581846 /nfs/dbraw/zinc/58/18/46/400581846.db2.gz DHONQSHGXQCQST-IAGOWNOFSA-N 2 0 311.473 3.426 20 30 DGEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844370 400589357 /nfs/dbraw/zinc/58/93/57/400589357.db2.gz CHQZMZZOFGOACZ-MRXNPFEDSA-N 2 0 306.413 3.227 20 30 DGEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847088 400589744 /nfs/dbraw/zinc/58/97/44/400589744.db2.gz IDPJAWMDBOYZHQ-INIZCTEOSA-N 2 0 306.413 3.227 20 30 DGEDRP CC(C)(C#N)CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846235 400589788 /nfs/dbraw/zinc/58/97/88/400589788.db2.gz DNCILGBWWWLCDO-UHFFFAOYSA-N 2 0 300.450 3.314 20 30 DGEDRP Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000599335342 401024490 /nfs/dbraw/zinc/02/44/90/401024490.db2.gz SRKHJWVGMBMJIM-YLJYHZDGSA-N 2 0 309.457 3.315 20 30 DGEDRP C[N@H+](Cc1ccccc1CNC(=[NH2+])NC1CC1)C1CCCCC1 ZINC000066244447 401297446 /nfs/dbraw/zinc/29/74/46/401297446.db2.gz JSESBZGVBXVDMJ-UHFFFAOYSA-N 2 0 314.477 3.018 20 30 DGEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249111242 432339443 /nfs/dbraw/zinc/33/94/43/432339443.db2.gz BTDNQTORSJTNEH-AZUAARDMSA-N 2 0 309.457 3.315 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000152947203 432370384 /nfs/dbraw/zinc/37/03/84/432370384.db2.gz UQUYPXPUVQYDPB-OAHLLOKOSA-N 2 0 318.461 3.395 20 30 DGEDRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000192952390 432432589 /nfs/dbraw/zinc/43/25/89/432432589.db2.gz ZGSYTFIWCVNUQS-HNNXBMFYSA-N 2 0 301.434 3.112 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285640631 434020861 /nfs/dbraw/zinc/02/08/61/434020861.db2.gz LUFIRDPFGZJEMK-QZTJIDSGSA-N 2 0 319.493 3.149 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285640626 434022119 /nfs/dbraw/zinc/02/21/19/434022119.db2.gz LUFIRDPFGZJEMK-MSOLQXFVSA-N 2 0 319.493 3.149 20 30 DGEDRP CC(C)(CCC#N)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423118398 434228673 /nfs/dbraw/zinc/22/86/73/434228673.db2.gz AHKRXDMRIIYHPT-QFBILLFUSA-N 2 0 313.445 3.162 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578698 434494503 /nfs/dbraw/zinc/49/45/03/434494503.db2.gz UUKWIHXWJAKHHU-IBGZPJMESA-N 2 0 315.505 3.314 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000368967182 434585172 /nfs/dbraw/zinc/58/51/72/434585172.db2.gz VOQHYTNVAMBNSR-MRXNPFEDSA-N 2 0 313.445 3.038 20 30 DGEDRP COc1cc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000440829969 434749040 /nfs/dbraw/zinc/74/90/40/434749040.db2.gz XBDJBSAVAGTJDP-IYBDPMFKSA-N 2 0 315.461 3.024 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544078 436076996 /nfs/dbraw/zinc/07/69/96/436076996.db2.gz WKJMMTDRKAVNQE-OALUTQOASA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543528 436078855 /nfs/dbraw/zinc/07/88/55/436078855.db2.gz OUJHMMDCZARHED-RTBURBONSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137852 436384421 /nfs/dbraw/zinc/38/44/21/436384421.db2.gz LYPUFABGQSGHNV-XLIONFOSSA-N 2 0 316.489 3.478 20 30 DGEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139522 436386682 /nfs/dbraw/zinc/38/66/82/436386682.db2.gz MRUHJYOSPVAMMW-UXHICEINSA-N 2 0 316.489 3.478 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000293564453 334199175 /nfs/dbraw/zinc/19/91/75/334199175.db2.gz MJSGHNQLUDQTGF-HSALFYBXSA-N 2 0 309.457 3.277 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1Cl ZINC000470001649 534882458 /nfs/dbraw/zinc/88/24/58/534882458.db2.gz CBEFFRJQIGDTHK-UHFFFAOYSA-N 2 0 308.853 3.336 20 30 DGEDRP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180159791 526654152 /nfs/dbraw/zinc/65/41/52/526654152.db2.gz GWBFNRBSWKFURJ-IHWFROFDSA-N 2 0 314.473 3.364 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000347063621 526866455 /nfs/dbraw/zinc/86/64/55/526866455.db2.gz CFANDALSDBVXPE-CYBMUJFWSA-N 2 0 308.853 3.464 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290361327 527140739 /nfs/dbraw/zinc/14/07/39/527140739.db2.gz QUORSGQCPSZCKZ-JKSUJKDBSA-N 2 0 305.466 3.102 20 30 DGEDRP CC(C)(C#N)CCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336874178 527460471 /nfs/dbraw/zinc/46/04/71/527460471.db2.gz XUTPFFWUGTXGSC-UHFFFAOYSA-N 2 0 321.509 3.283 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000182267257 527485870 /nfs/dbraw/zinc/48/58/70/527485870.db2.gz RMQPABDFCNTDRO-PMACEKPBSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685462782 549765422 /nfs/dbraw/zinc/76/54/22/549765422.db2.gz AIAFYOUNLVJZLY-SFHVURJKSA-N 2 0 314.473 3.415 20 30 DGEDRP C[N@H+](CCCOc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000743855197 575065676 /nfs/dbraw/zinc/06/56/76/575065676.db2.gz FSRBIAICTOQWFB-GOSISDBHSA-N 2 0 315.461 3.133 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137491 617748436 /nfs/dbraw/zinc/74/84/36/617748436.db2.gz KMQGTUDKYCDNDP-OAHLLOKOSA-N 2 0 305.853 3.352 20 30 DGEDRP N#CCC1(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902385160 619629185 /nfs/dbraw/zinc/62/91/85/619629185.db2.gz YDTTUIGWTFVPHB-MRXNPFEDSA-N 2 0 307.388 3.418 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848076 621108419 /nfs/dbraw/zinc/10/84/19/621108419.db2.gz MJJMTDWDDPPMGF-UHFFFAOYSA-N 2 0 312.457 3.195 20 30 DGEDRP COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213521 621261104 /nfs/dbraw/zinc/26/11/04/621261104.db2.gz WJAYDOIEVZCKIK-UHFFFAOYSA-N 2 0 323.440 3.260 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000859214792 621261347 /nfs/dbraw/zinc/26/13/47/621261347.db2.gz NYAVGFBQGNYLPU-UHFFFAOYSA-N 2 0 323.440 3.283 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000769499459 622534283 /nfs/dbraw/zinc/53/42/83/622534283.db2.gz VXORMTOQVIYOOW-UHFFFAOYSA-N 2 0 314.473 3.252 20 30 DGEDRP C#CCOc1ccccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000769499441 622534482 /nfs/dbraw/zinc/53/44/82/622534482.db2.gz VCASRGMIVXLCJM-UHFFFAOYSA-N 2 0 314.473 3.252 20 30 DGEDRP N#CCC[C@H](C#N)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000871910709 622736123 /nfs/dbraw/zinc/73/61/23/622736123.db2.gz AIRBVTHCHKFEOF-HXUWFJFHSA-N 2 0 324.472 3.322 20 30 DGEDRP C[C@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000771564013 622776006 /nfs/dbraw/zinc/77/60/06/622776006.db2.gz PPWBIKFHOPXKCP-KRWDZBQOSA-N 2 0 322.456 3.123 20 30 DGEDRP N#Cc1cnccc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156149 622836452 /nfs/dbraw/zinc/83/64/52/622836452.db2.gz FLSXAORLVLIXLN-HNAYVOBHSA-N 2 0 312.461 3.073 20 30 DGEDRP N#CCc1cccc2c1CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873212579 623077284 /nfs/dbraw/zinc/07/72/84/623077284.db2.gz OGCRBAZEKHZBID-UHFFFAOYSA-N 2 0 323.465 3.018 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873219886 623077622 /nfs/dbraw/zinc/07/76/22/623077622.db2.gz ASPACVRSLRBHCE-CYBMUJFWSA-N 2 0 308.853 3.383 20 30 DGEDRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234994 623086090 /nfs/dbraw/zinc/08/60/90/623086090.db2.gz JQIQFRBCDLXSBA-VQIMIIECSA-N 2 0 323.440 3.200 20 30 DGEDRP C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818140 624049102 /nfs/dbraw/zinc/04/91/02/624049102.db2.gz XJDUELFNRMMRJP-SXLOBPIMSA-N 2 0 311.473 3.380 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000784671681 624568398 /nfs/dbraw/zinc/56/83/98/624568398.db2.gz SOWJMZPVBINEGR-KRWDZBQOSA-N 2 0 300.446 3.053 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000799178452 626277905 /nfs/dbraw/zinc/27/79/05/626277905.db2.gz STOXIGAIHQLBSG-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000799178613 626278048 /nfs/dbraw/zinc/27/80/48/626278048.db2.gz XWPBFCOBYRYIGW-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809767111 626949361 /nfs/dbraw/zinc/94/93/61/626949361.db2.gz GJDLZFRUYOEVLQ-AZUAARDMSA-N 2 0 312.457 3.005 20 30 DGEDRP CCC1([NH+]2CCC2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000886718410 627197351 /nfs/dbraw/zinc/19/73/51/627197351.db2.gz ZGTHCPSSXGLLPZ-UHFFFAOYSA-N 2 0 319.493 3.037 20 30 DGEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134759 627228384 /nfs/dbraw/zinc/22/83/84/627228384.db2.gz PSYUIVAUUVFIFM-CVEARBPZSA-N 2 0 306.413 3.225 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000104162886 627411241 /nfs/dbraw/zinc/41/12/41/627411241.db2.gz PHTRIORWGOOACD-MRXNPFEDSA-N 2 0 316.493 3.075 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926694188 627933971 /nfs/dbraw/zinc/93/39/71/627933971.db2.gz QZURJXBPZKYEGS-INIZCTEOSA-N 2 0 314.477 3.212 20 30 DGEDRP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926811042 627959657 /nfs/dbraw/zinc/95/96/57/627959657.db2.gz GJSRSJMTSRXZKS-QVKFZJNVSA-N 2 0 319.452 3.438 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000817971409 627980049 /nfs/dbraw/zinc/98/00/49/627980049.db2.gz LYHPZNIBYAVONJ-JDFRZJQESA-N 2 0 308.853 3.467 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000105456139 630712617 /nfs/dbraw/zinc/71/26/17/630712617.db2.gz AWNCBDLMFIXWDH-FUHWJXTLSA-N 2 0 315.461 3.187 20 30 DGEDRP CC[N@@H+]1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849056913 631821135 /nfs/dbraw/zinc/82/11/35/631821135.db2.gz DRQGDXDSNNCQGG-GOSISDBHSA-N 2 0 314.477 3.425 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)[NH+](CC)CC)c(O)c1 ZINC000794834081 661108149 /nfs/dbraw/zinc/10/81/49/661108149.db2.gz QEXMRPXPMFGTKD-WBFOAEISSA-N 2 0 305.466 3.388 20 30 DGEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000066244675 655939257 /nfs/dbraw/zinc/93/92/57/655939257.db2.gz BBASUNSZNDSSQY-UHFFFAOYSA-N 2 0 322.456 3.325 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303713512 657557132 /nfs/dbraw/zinc/55/71/32/657557132.db2.gz QUZVBYOBZADQGU-MRXNPFEDSA-N 2 0 302.466 3.022 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C)c1 ZINC000303783522 657562442 /nfs/dbraw/zinc/56/24/42/657562442.db2.gz OHUARBPEDCDNRH-KRWDZBQOSA-N 2 0 304.482 3.342 20 30 DGEDRP CCCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303782333 657562527 /nfs/dbraw/zinc/56/25/27/657562527.db2.gz NCYYTBMMJWSPPD-OAHLLOKOSA-N 2 0 322.522 3.226 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000303880986 657571488 /nfs/dbraw/zinc/57/14/88/657571488.db2.gz HHEBPFOXRRKHFI-CABCVRRESA-N 2 0 314.477 3.411 20 30 DGEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303892055 657572793 /nfs/dbraw/zinc/57/27/93/657572793.db2.gz NJOBHHKJPJNWKT-HNNXBMFYSA-N 2 0 316.493 3.121 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303893562 657572900 /nfs/dbraw/zinc/57/29/00/657572900.db2.gz RYTZYXYMHDORAZ-UHFFFAOYSA-N 2 0 316.493 3.270 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000303894727 657573645 /nfs/dbraw/zinc/57/36/45/657573645.db2.gz STCMTCWCIOVWNM-AWEZNQCLSA-N 2 0 302.466 3.152 20 30 DGEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C1 ZINC000303904092 657577032 /nfs/dbraw/zinc/57/70/32/657577032.db2.gz URULSOMJDZYZBK-OAHLLOKOSA-N 2 0 316.493 3.121 20 30 DGEDRP C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)[N@H+](C)C1CC1 ZINC000303989314 657584767 /nfs/dbraw/zinc/58/47/67/657584767.db2.gz XLBVSEWPGPHXBZ-INIZCTEOSA-N 2 0 314.477 3.423 20 30 DGEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])NC(C)(C)C)CCCC1)c1ccccc1 ZINC000304740884 657645599 /nfs/dbraw/zinc/64/55/99/657645599.db2.gz BVRXBIYBLLQGJP-OAHLLOKOSA-N 2 0 316.493 3.353 20 30 DGEDRP CCN(CC)C(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304752204 657647502 /nfs/dbraw/zinc/64/75/02/657647502.db2.gz JZXJAURLKRGINZ-MRXNPFEDSA-N 2 0 316.493 3.307 20 30 DGEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccccc1 ZINC000304765743 657650414 /nfs/dbraw/zinc/65/04/14/657650414.db2.gz ZQXANANFOFXTQV-CVEARBPZSA-N 2 0 316.493 3.162 20 30 DGEDRP CC(C)[NH+](CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C(C)C ZINC000304803234 657652748 /nfs/dbraw/zinc/65/27/48/657652748.db2.gz PZBJXRPWTZWBMM-UHFFFAOYSA-N 2 0 316.493 3.411 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000303908864 657698797 /nfs/dbraw/zinc/69/87/97/657698797.db2.gz XVUJUQYTNBXTOH-CZUORRHYSA-N 2 0 302.466 3.150 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303980494 657701874 /nfs/dbraw/zinc/70/18/74/657701874.db2.gz ODJXZXOEJRMRKH-UHFFFAOYSA-N 2 0 314.477 3.043 20 30 DGEDRP N#CC1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000930277110 661384450 /nfs/dbraw/zinc/38/44/50/661384450.db2.gz BJDSDZYSCGVPKS-HMYFDTNDSA-N 2 0 323.484 3.380 20 30 DGEDRP N#CC1(CCCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000930806146 661431525 /nfs/dbraw/zinc/43/15/25/661431525.db2.gz NPIIOQWAKGNPQI-UHFFFAOYSA-N 2 0 312.461 3.458 20 30 DGEDRP C[NH+]1C[C@]2(C)CN(Cc3ccccc3C(C)(C)C#N)C[C@@]2(C)C1 ZINC000931310435 661465794 /nfs/dbraw/zinc/46/57/94/661465794.db2.gz KIGDXLIIXKKOPD-WOJBJXKFSA-N 2 0 311.473 3.261 20 30 DGEDRP C[N@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1Br ZINC001578465962 1191944680 /nfs/dbraw/zinc/94/46/80/1191944680.db2.gz YDHZPPVZNGHMGE-UHFFFAOYSA-N 2 0 324.266 3.272 20 30 DGEDRP C=CC[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001620797699 1192043110 /nfs/dbraw/zinc/04/31/10/1192043110.db2.gz HYPSURNQTYOYBP-NSHDSACASA-N 2 0 312.360 3.124 20 30 DGEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001596259813 1192687282 /nfs/dbraw/zinc/68/72/82/1192687282.db2.gz UOFQLIZYZBTXQL-INIZCTEOSA-N 2 0 315.461 3.117 20 30 DGEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001596259814 1192687376 /nfs/dbraw/zinc/68/73/76/1192687376.db2.gz UOFQLIZYZBTXQL-MRXNPFEDSA-N 2 0 315.461 3.117 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001331441070 1178215210 /nfs/dbraw/zinc/21/52/10/1178215210.db2.gz VWACEBYRWKRJHC-IAGOWNOFSA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CC1(C#N)CCCCC1 ZINC001350722690 1180111077 /nfs/dbraw/zinc/11/10/77/1180111077.db2.gz ZLNDBEBXQDAYKZ-UHFFFAOYSA-N 2 0 323.400 3.378 20 30 DGEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC001352088569 1180294275 /nfs/dbraw/zinc/29/42/75/1180294275.db2.gz NLTBCNOSJYXDSG-UHFFFAOYSA-N 2 0 301.409 3.194 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1Cl ZINC001461831403 1182864348 /nfs/dbraw/zinc/86/43/48/1182864348.db2.gz STLXIRUHMZOBSX-ZMSDIMECSA-N 2 0 320.864 3.335 20 30 DGEDRP C=CCCCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001559828531 1189246410 /nfs/dbraw/zinc/24/64/10/1189246410.db2.gz UMPZECSZIFWRES-UHFFFAOYSA-N 2 0 315.505 3.092 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001569528141 1190713545 /nfs/dbraw/zinc/71/35/45/1190713545.db2.gz UCHAVZSRMFGJQH-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC001647037042 1195243043 /nfs/dbraw/zinc/24/30/43/1195243043.db2.gz LXCXTRBUBUXARA-IAGOWNOFSA-N 2 0 318.461 3.222 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001655317347 1195903461 /nfs/dbraw/zinc/90/34/61/1195903461.db2.gz LEIWHNXUVPQFAO-SJLPKXTDSA-N 2 0 302.462 3.461 20 30 DGEDRP CC(C)C[N@@H+](Cc1cccc(F)c1C#N)CC1CC[NH+](C)CC1 ZINC001665510590 1197146685 /nfs/dbraw/zinc/14/66/85/1197146685.db2.gz NVKHQHLQLBWMAQ-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666901998 1197297155 /nfs/dbraw/zinc/29/71/55/1197297155.db2.gz AEKDTNZRCOOPDY-IRXDYDNUSA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000303886102 1199601696 /nfs/dbraw/zinc/60/16/96/1199601696.db2.gz KBJNOEGVJVYQOY-QGZVFWFLSA-N 2 0 302.466 3.232 20 30 DGEDRP CCCCCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001699774861 1202076075 /nfs/dbraw/zinc/07/60/75/1202076075.db2.gz OTDCICAKHALZEL-UHFFFAOYSA-N 2 0 323.525 3.023 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707242308 1202577920 /nfs/dbraw/zinc/57/79/20/1202577920.db2.gz VHQHAMSIYPMNFS-MSOLQXFVSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707242311 1202577933 /nfs/dbraw/zinc/57/79/33/1202577933.db2.gz VHQHAMSIYPMNFS-ZWKOTPCHSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612770 1083312050 /nfs/dbraw/zinc/31/20/50/1083312050.db2.gz PWDQUGQEXMEKNX-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919263 1084785407 /nfs/dbraw/zinc/78/54/07/1084785407.db2.gz WQTVBBGFLQPXMK-YCKXBTPASA-N 2 0 309.457 3.429 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029974 1086453162 /nfs/dbraw/zinc/45/31/62/1086453162.db2.gz LFPWRMKJGOVEML-MSOLQXFVSA-N 2 0 323.525 3.070 20 30 DGEDRP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1CC#N ZINC001158263533 1087747433 /nfs/dbraw/zinc/74/74/33/1087747433.db2.gz FAXSSWJMLZOBDL-CRAIPNDOSA-N 2 0 300.450 3.412 20 30 DGEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726669 1090606459 /nfs/dbraw/zinc/60/64/59/1090606459.db2.gz MMNWNSVPZGQXKY-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP Cn1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c2cc(C#N)ccc21 ZINC001206325303 1091581757 /nfs/dbraw/zinc/58/17/57/1091581757.db2.gz HNJZZQUZQJCHLG-IBGZPJMESA-N 2 0 310.445 3.001 20 30 DGEDRP C[NH+](C)CC(C)(C)C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001207286429 1091912704 /nfs/dbraw/zinc/91/27/04/1091912704.db2.gz RNAHHYSDZJAKEU-UHFFFAOYSA-N 2 0 313.489 3.401 20 30 DGEDRP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225965 1092124961 /nfs/dbraw/zinc/12/49/61/1092124961.db2.gz DDKLAGBYNGMMMR-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP N#Cc1ccc2c(CN3CCC([NH+]4CCCCC4)CC3)c[nH]c2c1 ZINC001142912077 1092582932 /nfs/dbraw/zinc/58/29/32/1092582932.db2.gz UDIOMHAAYDXZAH-UHFFFAOYSA-N 2 0 322.456 3.490 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209631884 1092855452 /nfs/dbraw/zinc/85/54/52/1092855452.db2.gz HPIZMNRAIVSBEV-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033146 1094357304 /nfs/dbraw/zinc/35/73/04/1094357304.db2.gz UZGFLHXAHXVHMI-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217787070 1094495521 /nfs/dbraw/zinc/49/55/21/1094495521.db2.gz BEKNINLILSEJJW-VQIMIIECSA-N 2 0 314.474 3.347 20 30 DGEDRP c1ccc([S+](CCO[C@@H]2C=CC[NH2+]C2)c2ccccc2)cc1 ZINC001217884439 1094511079 /nfs/dbraw/zinc/51/10/79/1094511079.db2.gz ZHDGJFPSCJJIBG-QGZVFWFLSA-N 2 0 312.458 3.268 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980351 1094774263 /nfs/dbraw/zinc/77/42/63/1094774263.db2.gz ODDRWTBIYHJGFN-IRXDYDNUSA-N 2 0 313.530 3.172 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001171180995 1095658648 /nfs/dbraw/zinc/65/86/48/1095658648.db2.gz FYLJLJCPIOTFEJ-INIZCTEOSA-N 2 0 307.441 3.341 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340216186 1095908582 /nfs/dbraw/zinc/90/85/82/1095908582.db2.gz QROTVARVXRJTPR-SJORKVTESA-N 2 0 311.514 3.007 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001172290460 1097105487 /nfs/dbraw/zinc/10/54/87/1097105487.db2.gz PXMDWVZEAKOFSR-MRXNPFEDSA-N 2 0 307.441 3.341 20 30 DGEDRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(C#N)cc1)CC(C)(C)CC[NH3+] ZINC001172300052 1097110074 /nfs/dbraw/zinc/11/00/74/1097110074.db2.gz RKYMARABZUMMGQ-HOTGVXAUSA-N 2 0 301.478 3.480 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172383003 1097140820 /nfs/dbraw/zinc/14/08/20/1097140820.db2.gz NRXQIDNSMXDUSC-HSALFYBXSA-N 2 0 319.537 3.103 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559832 1097142296 /nfs/dbraw/zinc/14/22/96/1097142296.db2.gz ZEAHOBNSLIFPKC-KURKYZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228660825 1097161326 /nfs/dbraw/zinc/16/13/26/1097161326.db2.gz LBOKPZNHHPZHNG-KURKYZTESA-N 2 0 323.525 3.090 20 30 DGEDRP C[C@H](CCCC#N)[NH2+][C@H](CN)c1ccc(Br)cc1 ZINC001172490066 1097167045 /nfs/dbraw/zinc/16/70/45/1097167045.db2.gz VEDWGYYNMZALDD-BXUZGUMPSA-N 2 0 310.239 3.121 20 30 DGEDRP C[C@H](CCCC#N)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490938 1097167219 /nfs/dbraw/zinc/16/72/19/1097167219.db2.gz CFDCYZDEOJMMAY-KBAYOESNSA-N 2 0 300.450 3.236 20 30 DGEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172491104 1097167951 /nfs/dbraw/zinc/16/79/51/1097167951.db2.gz DATRJQVCYOQODK-OAHLLOKOSA-N 2 0 303.425 3.244 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175565960 1098099325 /nfs/dbraw/zinc/09/93/25/1098099325.db2.gz NDHRWKVTIPPARN-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C(#Cc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1)c1ccccc1 ZINC001235089665 1098792851 /nfs/dbraw/zinc/79/28/51/1098792851.db2.gz PUVLPBXFQKBDFH-UHFFFAOYSA-N 2 0 316.448 3.272 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(CN2CCC3(CC[NH2+]3)CC2)s1 ZINC001235109310 1098808273 /nfs/dbraw/zinc/80/82/73/1098808273.db2.gz ARAPUUXFMCRSFK-UHFFFAOYSA-N 2 0 322.477 3.476 20 30 DGEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153155 1098838626 /nfs/dbraw/zinc/83/86/26/1098838626.db2.gz FQCROSDGILVXQT-FQEVSTJZSA-N 2 0 311.473 3.475 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235154011 1098838959 /nfs/dbraw/zinc/83/89/59/1098838959.db2.gz GYZWQOXHRUCPLG-HXUWFJFHSA-N 2 0 322.456 3.394 20 30 DGEDRP CCc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1C#N ZINC001235157978 1098844101 /nfs/dbraw/zinc/84/41/01/1098844101.db2.gz SUIAMEDKNAAQFD-FQEVSTJZSA-N 2 0 311.473 3.475 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178490354 1098852185 /nfs/dbraw/zinc/85/21/85/1098852185.db2.gz KJRDKIBPEYFITA-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001178902696 1098967429 /nfs/dbraw/zinc/96/74/29/1098967429.db2.gz CNKYIOWBNPCTOJ-UHFFFAOYSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423332 1099015598 /nfs/dbraw/zinc/01/55/98/1099015598.db2.gz GCEAVWXFSMUDNA-CVEARBPZSA-N 2 0 317.864 3.423 20 30 DGEDRP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235529368 1099078516 /nfs/dbraw/zinc/07/85/16/1099078516.db2.gz ZHHHYTPJJTYNDE-GOSISDBHSA-N 2 0 307.397 3.109 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235663714 1099112264 /nfs/dbraw/zinc/11/22/64/1099112264.db2.gz SLCMRNVREPFSIZ-UHFFFAOYSA-N 2 0 303.494 3.498 20 30 DGEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001180035814 1099288133 /nfs/dbraw/zinc/28/81/33/1099288133.db2.gz SXJUNEJRGNRXPP-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CC[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C1CCCCC1 ZINC001236433793 1099609277 /nfs/dbraw/zinc/60/92/77/1099609277.db2.gz LQMCLQFREZIRKU-UHFFFAOYSA-N 2 0 316.445 3.195 20 30 DGEDRP C=CCc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1O ZINC001236599019 1099695920 /nfs/dbraw/zinc/69/59/20/1099695920.db2.gz OGBQUULRIGJXOO-HNNXBMFYSA-N 2 0 300.446 3.085 20 30 DGEDRP N#Cc1cc(-c2cccc(C3=[NH+]CCC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360566 1100959246 /nfs/dbraw/zinc/95/92/46/1100959246.db2.gz ICZFKBAGPHMULM-UHFFFAOYSA-N 2 0 301.393 3.495 20 30 DGEDRP COc1cc(C#N)ccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241408246 1101436904 /nfs/dbraw/zinc/43/69/04/1101436904.db2.gz OBSSXDUXGXXJDW-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP N#Cc1cc(F)ccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242584256 1102225314 /nfs/dbraw/zinc/22/53/14/1102225314.db2.gz IXWLVDUFMNQGDH-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP N#Cc1ccccc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001242716746 1102303920 /nfs/dbraw/zinc/30/39/20/1102303920.db2.gz FQZRQZGTWMHHMW-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP CC#Cc1cncc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001242941751 1102431637 /nfs/dbraw/zinc/43/16/37/1102431637.db2.gz YOUKYTIGDJINHO-UHFFFAOYSA-N 2 0 319.452 3.291 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCCCC)CC1 ZINC001201798135 1102730209 /nfs/dbraw/zinc/73/02/09/1102730209.db2.gz QBFGSPDKCXKEFS-UHFFFAOYSA-N 2 0 307.526 3.248 20 30 DGEDRP N#Cc1ccc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001245497545 1104087831 /nfs/dbraw/zinc/08/78/31/1104087831.db2.gz JBZDXUZDCMIOKL-UHFFFAOYSA-N 2 0 305.425 3.396 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC001329115902 1104158922 /nfs/dbraw/zinc/15/89/22/1104158922.db2.gz ZLGVKLHFLSIIIO-WBFXSEPVSA-N 2 0 309.457 3.217 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246015539 1104352569 /nfs/dbraw/zinc/35/25/69/1104352569.db2.gz ZYOMAIWLADKEAL-KSZLIROESA-N 2 0 316.505 3.415 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H](C1CC1)C1C[NH2+]C1 ZINC001246018465 1104354601 /nfs/dbraw/zinc/35/46/01/1104354601.db2.gz FUKJWIHMPYPPKI-RTBURBONSA-N 2 0 310.526 3.466 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064617 1104364806 /nfs/dbraw/zinc/36/48/06/1104364806.db2.gz FUGMDPMZCDDXPC-VAMGGRTRSA-N 2 0 316.489 3.394 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246318474 1104487691 /nfs/dbraw/zinc/48/76/91/1104487691.db2.gz JSBIMVARJYSCGL-INIZCTEOSA-N 2 0 312.498 3.258 20 30 DGEDRP CCCC[C@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC[NH2+]1 ZINC001246324388 1104488763 /nfs/dbraw/zinc/48/87/63/1104488763.db2.gz HDGXVJPEMJWARD-ZWKOTPCHSA-N 2 0 324.472 3.497 20 30 DGEDRP N#Cc1cncc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275027811 1104579197 /nfs/dbraw/zinc/57/91/97/1104579197.db2.gz QLSOAPOTPASDCM-KDURUIRLSA-N 2 0 324.472 3.040 20 30 DGEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246626010 1104634676 /nfs/dbraw/zinc/63/46/76/1104634676.db2.gz JDDJGDHTYZLAHA-QGZVFWFLSA-N 2 0 323.525 3.070 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646035 1104643485 /nfs/dbraw/zinc/64/34/85/1104643485.db2.gz WFOPVLQBPZDVST-OALUTQOASA-N 2 0 309.542 3.399 20 30 DGEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001275975688 1104975346 /nfs/dbraw/zinc/97/53/46/1104975346.db2.gz LAUKABXNFQXJGX-IYBDPMFKSA-N 2 0 316.411 3.386 20 30 DGEDRP C=CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276042869 1105004222 /nfs/dbraw/zinc/00/42/22/1105004222.db2.gz JWOSFPHJVUGXCG-KDURUIRLSA-N 2 0 307.526 3.223 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636864 1106118794 /nfs/dbraw/zinc/11/87/94/1106118794.db2.gz NZQJAJBVEHNYOK-YHDCXSKOSA-N 2 0 309.457 3.464 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001254651038 1106122726 /nfs/dbraw/zinc/12/27/26/1106122726.db2.gz ZWAHQUKHEQZXED-SJLPKXTDSA-N 2 0 315.436 3.320 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254655912 1106124265 /nfs/dbraw/zinc/12/42/65/1106124265.db2.gz GRYXJHUTDBZJSB-LWYYNNOASA-N 2 0 322.456 3.322 20 30 DGEDRP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255952643 1106348088 /nfs/dbraw/zinc/34/80/88/1106348088.db2.gz VWORKGSSXFYNRP-AWEZNQCLSA-N 2 0 313.445 3.371 20 30 DGEDRP [NH2+]=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904247 1106506798 /nfs/dbraw/zinc/50/67/98/1106506798.db2.gz ILSQFYYXRZWZIQ-MRXNPFEDSA-N 2 0 322.456 3.347 20 30 DGEDRP N#CC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256969416 1106517574 /nfs/dbraw/zinc/51/75/74/1106517574.db2.gz HUCMEFFUQKCZSK-CGIJZDBUSA-N 2 0 309.457 3.133 20 30 DGEDRP CC(C)C[NH+]1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001258004058 1106655705 /nfs/dbraw/zinc/65/57/05/1106655705.db2.gz AMNVQQAJNCNKBN-UHFFFAOYSA-N 2 0 310.445 3.061 20 30 DGEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001317704713 1107610992 /nfs/dbraw/zinc/61/09/92/1107610992.db2.gz IBWWSKKBTNSODF-SFHVURJKSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC001308466193 1111432126 /nfs/dbraw/zinc/43/21/26/1111432126.db2.gz LCYUDOCMMFJXRM-UHFFFAOYSA-N 2 0 313.489 3.417 20 30 DGEDRP C[C@@H](CCC#N)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308934465 1111496588 /nfs/dbraw/zinc/49/65/88/1111496588.db2.gz XJDUELFNRMMRJP-YSIASYRMSA-N 2 0 311.473 3.380 20 30 DGEDRP CCC[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000170670737 432076192 /nfs/dbraw/zinc/07/61/92/432076192.db2.gz ALDPLJXLQSWYCC-UHFFFAOYSA-N 2 0 317.502 3.255 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000449184732 240057305 /nfs/dbraw/zinc/05/73/05/240057305.db2.gz IHDZLZXLRBHYJZ-WDSOQIARSA-N 2 0 308.510 3.479 20 30 DGEDRP N#Cc1cc(F)ccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000600789543 400154655 /nfs/dbraw/zinc/15/46/55/400154655.db2.gz SBHAKVLQGVVSPL-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(C#N)c1 ZINC000600790332 400155865 /nfs/dbraw/zinc/15/58/65/400155865.db2.gz JUELRUAZWDOWTP-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP N#CC[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595621090 400209516 /nfs/dbraw/zinc/20/95/16/400209516.db2.gz SYQMWFQPSWFDIM-RTBURBONSA-N 2 0 316.493 3.408 20 30 DGEDRP C[NH2+]CC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595892339 400289709 /nfs/dbraw/zinc/28/97/09/400289709.db2.gz MELWVSXIBKRTKR-UHFFFAOYSA-N 2 0 311.351 3.008 20 30 DGEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000602515445 400484880 /nfs/dbraw/zinc/48/48/80/400484880.db2.gz YOBLLFJOYMJFII-UHFFFAOYSA-N 2 0 320.440 3.229 20 30 DGEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000602535129 400490574 /nfs/dbraw/zinc/49/05/74/400490574.db2.gz XVLIMXNIQMCAJJ-OAHLLOKOSA-N 2 0 305.491 3.490 20 30 DGEDRP Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000599335339 401025054 /nfs/dbraw/zinc/02/50/54/401025054.db2.gz SRKHJWVGMBMJIM-FXAWDEMLSA-N 2 0 309.457 3.315 20 30 DGEDRP C=CCC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccco1 ZINC000635006708 401401141 /nfs/dbraw/zinc/40/11/41/401401141.db2.gz CJUZTCVBKVRMCG-INIZCTEOSA-N 2 0 312.417 3.204 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000449144142 286058678 /nfs/dbraw/zinc/05/86/78/286058678.db2.gz YPHFWYIIJHQQSZ-BKVYNOPKSA-N 2 0 321.509 3.185 20 30 DGEDRP N#Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246940931 432182528 /nfs/dbraw/zinc/18/25/28/432182528.db2.gz UDYLFWKVAUCAEY-HNAYVOBHSA-N 2 0 313.420 3.146 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000247029696 432194205 /nfs/dbraw/zinc/19/42/05/432194205.db2.gz MDTVLADZAXHYBN-CEXWTWQISA-N 2 0 307.526 3.005 20 30 DGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345760275 229156462 /nfs/dbraw/zinc/15/64/62/229156462.db2.gz UABRYNLWYUGXEW-CALCHBBNSA-N 2 0 321.509 3.138 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000350941965 266112254 /nfs/dbraw/zinc/11/22/54/266112254.db2.gz OUTIEVLYBAKWQU-UHFFFAOYSA-N 2 0 324.472 3.365 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000249485977 432347952 /nfs/dbraw/zinc/34/79/52/432347952.db2.gz YFPJQEOSCMBXGQ-DLBZAZTESA-N 2 0 309.498 3.043 20 30 DGEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000264074440 432613418 /nfs/dbraw/zinc/61/34/18/432613418.db2.gz FEEDDTZWEKFYLE-UHFFFAOYSA-N 2 0 318.465 3.076 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCSCC#N ZINC000274845650 432715392 /nfs/dbraw/zinc/71/53/92/432715392.db2.gz POQAADIQWBAKOD-FUHWJXTLSA-N 2 0 317.502 3.133 20 30 DGEDRP N#CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000265633637 432718166 /nfs/dbraw/zinc/71/81/66/432718166.db2.gz GNJQKWBFZDPGPO-GOSISDBHSA-N 2 0 313.445 3.039 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)CCC#N ZINC000276307263 432794579 /nfs/dbraw/zinc/79/45/79/432794579.db2.gz LILOVXQHVDFMGK-MRXNPFEDSA-N 2 0 300.450 3.312 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245895142 432868390 /nfs/dbraw/zinc/86/83/90/432868390.db2.gz MXAPHMMMCURAHM-IXDOHACOSA-N 2 0 315.461 3.098 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420300120 433153188 /nfs/dbraw/zinc/15/31/88/433153188.db2.gz HFJBVBCPIYTOJU-IBGZPJMESA-N 2 0 310.441 3.426 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281340065 433290923 /nfs/dbraw/zinc/29/09/23/433290923.db2.gz UNABMZCKOAMQKQ-SFHVURJKSA-N 2 0 303.425 3.302 20 30 DGEDRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC000362086595 433516865 /nfs/dbraw/zinc/51/68/65/433516865.db2.gz MDHIXYOTXWNYCZ-AWEZNQCLSA-N 2 0 312.442 3.400 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414856174 433888532 /nfs/dbraw/zinc/88/85/32/433888532.db2.gz NZXBNNMWCRGRCE-ZFWWWQNUSA-N 2 0 308.853 3.383 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422835655 434043648 /nfs/dbraw/zinc/04/36/48/434043648.db2.gz PUKMGTDALSBYQZ-MTQWCTHYSA-N 2 0 319.537 3.195 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422903596 434098216 /nfs/dbraw/zinc/09/82/16/434098216.db2.gz FTKHJVSBFYAEDA-FGTMMUONSA-N 2 0 300.446 3.262 20 30 DGEDRP CSC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000353613385 434270591 /nfs/dbraw/zinc/27/05/91/434270591.db2.gz VHYKAZBWXHEHSK-AWEZNQCLSA-N 2 0 303.475 3.036 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423109439 434222411 /nfs/dbraw/zinc/22/24/11/434222411.db2.gz SNKFKSRHYNDXBZ-CQSZACIVSA-N 2 0 311.429 3.264 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446656 434429112 /nfs/dbraw/zinc/42/91/12/434429112.db2.gz SZARFQRMWXOFES-XUVXKRRUSA-N 2 0 309.457 3.303 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411795833 434830496 /nfs/dbraw/zinc/83/04/96/434830496.db2.gz VNBLIORTCGGTIB-UXHICEINSA-N 2 0 314.473 3.496 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000651709633 435800214 /nfs/dbraw/zinc/80/02/14/435800214.db2.gz CEXBUAUHZOBOEB-AKHDSKFASA-N 2 0 308.510 3.458 20 30 DGEDRP C[N@@H+]1CC[C@]2(C1)CCCN(CC#Cc1cccc(Cl)c1)C2 ZINC000660658968 435843655 /nfs/dbraw/zinc/84/36/55/435843655.db2.gz IGHAFHPQIZHMJH-SFHVURJKSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650710902 435998727 /nfs/dbraw/zinc/99/87/27/435998727.db2.gz CGWKSMMCDYCMRO-DOTOQJQBSA-N 2 0 318.461 3.209 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650710905 435997313 /nfs/dbraw/zinc/99/73/13/435997313.db2.gz CGWKSMMCDYCMRO-WBVHZDCISA-N 2 0 318.461 3.209 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543527 436077701 /nfs/dbraw/zinc/07/77/01/436077701.db2.gz OUJHMMDCZARHED-RBUKOAKNSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000657924612 436341438 /nfs/dbraw/zinc/34/14/38/436341438.db2.gz CQRGNHOWMVQNIX-XGXHKWSGSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139521 436386746 /nfs/dbraw/zinc/38/67/46/436386746.db2.gz MRUHJYOSPVAMMW-PMACEKPBSA-N 2 0 316.489 3.478 20 30 DGEDRP COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000563154302 333398074 /nfs/dbraw/zinc/39/80/74/333398074.db2.gz LZKCQBSCFLMJSH-IBGZPJMESA-N 2 0 309.413 3.289 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089014 526860450 /nfs/dbraw/zinc/86/04/50/526860450.db2.gz OKBQTRDWILTCPQ-UHFFFAOYSA-N 2 0 318.461 3.034 20 30 DGEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442713371 528155198 /nfs/dbraw/zinc/15/51/98/528155198.db2.gz WJVQJRWOWXWPQI-SJLPKXTDSA-N 2 0 315.461 3.189 20 30 DGEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421322711 528237890 /nfs/dbraw/zinc/23/78/90/528237890.db2.gz FCHBUCODSCGCRY-UHFFFAOYSA-N 2 0 303.425 3.299 20 30 DGEDRP C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073749 545999512 /nfs/dbraw/zinc/99/95/12/545999512.db2.gz RKAOSSXTWYAIAN-HKUYNNGSSA-N 2 0 307.526 3.005 20 30 DGEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030195 547034886 /nfs/dbraw/zinc/03/48/86/547034886.db2.gz QVBTZQSBCNWKIX-MJGOQNOKSA-N 2 0 309.457 3.158 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000729682721 575260561 /nfs/dbraw/zinc/26/05/61/575260561.db2.gz AWNCBDLMFIXWDH-AEFFLSMTSA-N 2 0 315.461 3.187 20 30 DGEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675405 618083873 /nfs/dbraw/zinc/08/38/73/618083873.db2.gz HZNPQFOJSCKYDM-DHVPZBTDSA-N 2 0 306.494 3.353 20 30 DGEDRP Oc1cccc(/C=N\CC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000920387258 620798683 /nfs/dbraw/zinc/79/86/83/620798683.db2.gz NMQMBHWBPSSJKW-STZFKDTASA-N 2 0 324.424 3.429 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619152 618510613 /nfs/dbraw/zinc/51/06/13/618510613.db2.gz LCOLRAOWBFTLLD-GVDBMIGSSA-N 2 0 315.461 3.363 20 30 DGEDRP CC(C)C[N@@H+](Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000895861776 618840613 /nfs/dbraw/zinc/84/06/13/618840613.db2.gz SALQJJXSNDLWOD-UHFFFAOYSA-N 2 0 305.491 3.420 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CCC1 ZINC000903759609 619809148 /nfs/dbraw/zinc/80/91/48/619809148.db2.gz BHWFPJQMLRWWGQ-MSOLQXFVSA-N 2 0 319.493 3.069 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000859212131 621261316 /nfs/dbraw/zinc/26/13/16/621261316.db2.gz IOQWSTWFAHHVGD-UHFFFAOYSA-N 2 0 310.416 3.371 20 30 DGEDRP C#CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCCC1 ZINC000753534658 621446748 /nfs/dbraw/zinc/44/67/48/621446748.db2.gz YIDYIOXXAUCMLO-UHFFFAOYSA-N 2 0 308.429 3.344 20 30 DGEDRP C#CC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000862444182 621591057 /nfs/dbraw/zinc/59/10/57/621591057.db2.gz ZDQMYIOWJKELHB-SFHVURJKSA-N 2 0 312.457 3.006 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000865717499 621982422 /nfs/dbraw/zinc/98/24/22/621982422.db2.gz ZUHJNNZZFAQJPJ-UHFFFAOYSA-N 2 0 303.425 3.297 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000764663261 622211473 /nfs/dbraw/zinc/21/14/73/622211473.db2.gz RJQZAZYUKHMYFC-QGZVFWFLSA-N 2 0 300.446 3.225 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000765768588 622286028 /nfs/dbraw/zinc/28/60/28/622286028.db2.gz IOBNBPRKVBVVJF-INIZCTEOSA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769471003 622530554 /nfs/dbraw/zinc/53/05/54/622530554.db2.gz PTIVQNQDSACYHB-SJLPKXTDSA-N 2 0 300.446 3.003 20 30 DGEDRP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769471004 622530909 /nfs/dbraw/zinc/53/09/09/622530909.db2.gz PTIVQNQDSACYHB-WMZOPIPTSA-N 2 0 300.446 3.003 20 30 DGEDRP C=C(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000771817657 622799753 /nfs/dbraw/zinc/79/97/53/622799753.db2.gz BKECFYDIXDBZKC-UHFFFAOYSA-N 2 0 321.468 3.241 20 30 DGEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000772958376 622957836 /nfs/dbraw/zinc/95/78/36/622957836.db2.gz XOEPXRLYOGSMSZ-IBGZPJMESA-N 2 0 314.473 3.156 20 30 DGEDRP C#CCCCCCC[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000877065003 623781617 /nfs/dbraw/zinc/78/16/17/623781617.db2.gz VQWNETCSBXWOPZ-UHFFFAOYSA-N 2 0 319.537 3.110 20 30 DGEDRP C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880259910 624874681 /nfs/dbraw/zinc/87/46/81/624874681.db2.gz LKDWUJWPFGOVCB-MRXNPFEDSA-N 2 0 300.450 3.312 20 30 DGEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259039 624875185 /nfs/dbraw/zinc/87/51/85/624875185.db2.gz GZXGHMINXSIMSR-JKSUJKDBSA-N 2 0 306.413 3.225 20 30 DGEDRP C=CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1Cc2ccccc2O1 ZINC000883180928 625956895 /nfs/dbraw/zinc/95/68/95/625956895.db2.gz OHQZSHAIFMICLF-HKUYNNGSSA-N 2 0 302.462 3.256 20 30 DGEDRP C=CCCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000883187687 625961301 /nfs/dbraw/zinc/96/13/01/625961301.db2.gz TZXQYONROMXNAW-UYAOXDASSA-N 2 0 315.505 3.310 20 30 DGEDRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000796821331 626086478 /nfs/dbraw/zinc/08/64/78/626086478.db2.gz UFOMNYOWGRWLAL-ODIFPOPNSA-N 2 0 301.434 3.112 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000883236927 626619160 /nfs/dbraw/zinc/61/91/60/626619160.db2.gz NFXWRJIPAAPRFE-RTBURBONSA-N 2 0 306.494 3.212 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883237963 626619556 /nfs/dbraw/zinc/61/95/56/626619556.db2.gz OMCXEYPBKMUFSH-QYZOEREBSA-N 2 0 306.494 3.212 20 30 DGEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133170 627227965 /nfs/dbraw/zinc/22/79/65/627227965.db2.gz VQTRQAMGTSAGSI-CVEARBPZSA-N 2 0 306.413 3.225 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1Cl ZINC000925666982 627774084 /nfs/dbraw/zinc/77/40/84/627774084.db2.gz SOAUZIVVACANCK-FUHWJXTLSA-N 2 0 317.864 3.470 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000925729872 627783933 /nfs/dbraw/zinc/78/39/33/627783933.db2.gz SXOSVRLAEIBMQQ-UXHICEINSA-N 2 0 305.425 3.095 20 30 DGEDRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000925887322 627812282 /nfs/dbraw/zinc/81/22/82/627812282.db2.gz ZKJFNNZMEAZEHE-RYGJVYDSSA-N 2 0 305.425 3.268 20 30 DGEDRP C=CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000817909360 627959808 /nfs/dbraw/zinc/95/98/08/627959808.db2.gz OKWUFBKXJKBAOY-IAGOWNOFSA-N 2 0 318.461 3.039 20 30 DGEDRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000817975988 627980895 /nfs/dbraw/zinc/98/08/95/627980895.db2.gz SQSJQUNBKRWNGV-BZUAXINKSA-N 2 0 301.434 3.005 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000827566630 628971426 /nfs/dbraw/zinc/97/14/26/628971426.db2.gz XBXCTJSLSCOBIY-AHRSYUTCSA-N 2 0 318.505 3.048 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC(C)C ZINC000178217007 655967734 /nfs/dbraw/zinc/96/77/34/655967734.db2.gz KOBRWKOJVPJITF-HOCLYGCPSA-N 2 0 322.522 3.095 20 30 DGEDRP N#Cc1cccc(C[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC000046836335 656185048 /nfs/dbraw/zinc/18/50/48/656185048.db2.gz HJSHWZOESQISBX-UHFFFAOYSA-N 2 0 305.425 3.096 20 30 DGEDRP CCNC(NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)=[NH+]CC ZINC000303361671 657531333 /nfs/dbraw/zinc/53/13/33/657531333.db2.gz CMJXHHXWKSJGQX-MRXNPFEDSA-N 2 0 316.493 3.136 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303782275 657561981 /nfs/dbraw/zinc/56/19/81/657561981.db2.gz NCABIWKRUNCCDE-UHFFFAOYSA-N 2 0 302.466 3.024 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000303785940 657563508 /nfs/dbraw/zinc/56/35/08/657563508.db2.gz QVLRRMZCSAKHQP-OAHLLOKOSA-N 2 0 316.493 3.264 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303790594 657563595 /nfs/dbraw/zinc/56/35/95/657563595.db2.gz WNPPTELKVHCRDG-INIZCTEOSA-N 2 0 316.493 3.265 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303784831 657564101 /nfs/dbraw/zinc/56/41/01/657564101.db2.gz PTKSCBMJPXKBFI-UHFFFAOYSA-N 2 0 302.466 3.024 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)c1 ZINC000303886073 657571172 /nfs/dbraw/zinc/57/11/72/657571172.db2.gz JZOLQNOUDXGUHL-UHFFFAOYSA-N 2 0 302.466 3.269 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000303883847 657571832 /nfs/dbraw/zinc/57/18/32/657571832.db2.gz MJFHJTLLKGCYRD-MRXNPFEDSA-N 2 0 302.466 3.096 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303896317 657575867 /nfs/dbraw/zinc/57/58/67/657575867.db2.gz UJNZIZIUBMVULQ-HNNXBMFYSA-N 2 0 316.493 3.270 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@H+](CC)C2CC2)cc1 ZINC000303974691 657583915 /nfs/dbraw/zinc/58/39/15/657583915.db2.gz IFQNXRUIZXNQQJ-AWEZNQCLSA-N 2 0 302.466 3.411 20 30 DGEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304651830 657640369 /nfs/dbraw/zinc/64/03/69/657640369.db2.gz GZJOAGZICGFELN-OAHLLOKOSA-N 2 0 314.477 3.024 20 30 DGEDRP CCCNC(=[NH2+])NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000304743132 657645748 /nfs/dbraw/zinc/64/57/48/657645748.db2.gz CYSBEHWKVHLTTO-OAHLLOKOSA-N 2 0 304.482 3.210 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)c1 ZINC000304761803 657649908 /nfs/dbraw/zinc/64/99/08/657649908.db2.gz UXBMOTYMQDSTAQ-UHFFFAOYSA-N 2 0 302.466 3.411 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[NH+]2CCCCC2)cc1 ZINC000303769059 657693518 /nfs/dbraw/zinc/69/35/18/657693518.db2.gz ATHGVNICFFFGFE-HNNXBMFYSA-N 2 0 302.466 3.413 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)c1 ZINC000305800532 658057840 /nfs/dbraw/zinc/05/78/40/658057840.db2.gz CWVBKBOVZVGGOT-UHFFFAOYSA-N 2 0 302.466 3.098 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000174551212 659440282 /nfs/dbraw/zinc/44/02/82/659440282.db2.gz NFKNWHFZHUIOMR-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381186 662329922 /nfs/dbraw/zinc/32/99/22/662329922.db2.gz WGDLTEGHZNZPJS-UHFFFAOYSA-N 2 0 314.473 3.252 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)ccc1F ZINC001580060735 1192005070 /nfs/dbraw/zinc/00/50/70/1192005070.db2.gz DLPYOYDSELGTSW-SFHVURJKSA-N 2 0 313.420 3.051 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000121821661 1177026319 /nfs/dbraw/zinc/02/63/19/1177026319.db2.gz VHRRZZWWIUFENP-IRXDYDNUSA-N 2 0 300.446 3.081 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001461069339 1182763569 /nfs/dbraw/zinc/76/35/69/1182763569.db2.gz VCOLIXTWXWTGGR-FUHWJXTLSA-N 2 0 302.462 3.461 20 30 DGEDRP CC[NH+]1CCC(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC001474357308 1183908324 /nfs/dbraw/zinc/90/83/24/1183908324.db2.gz CTZSEXBHSPHTBT-UHFFFAOYSA-N 2 0 309.457 3.379 20 30 DGEDRP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001570378690 1190847867 /nfs/dbraw/zinc/84/78/67/1190847867.db2.gz YKPBMZWDYNPOFJ-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP C#C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001574504435 1191445124 /nfs/dbraw/zinc/44/51/24/1191445124.db2.gz JAYQRMVMIFMCEY-IOASZLSFSA-N 2 0 321.262 3.101 20 30 DGEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC001574897235 1191457193 /nfs/dbraw/zinc/45/71/93/1191457193.db2.gz JCTONAPJKLBBBS-IBGZPJMESA-N 2 0 315.461 3.165 20 30 DGEDRP C=CCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001654065515 1195771314 /nfs/dbraw/zinc/77/13/14/1195771314.db2.gz IOMDQAXZXXJJSL-CALCHBBNSA-N 2 0 302.462 3.304 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001655317346 1195903020 /nfs/dbraw/zinc/90/30/20/1195903020.db2.gz LEIWHNXUVPQFAO-FUHWJXTLSA-N 2 0 302.462 3.461 20 30 DGEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC001660251686 1196462631 /nfs/dbraw/zinc/46/26/31/1196462631.db2.gz ZWRDQCVJNTWDBJ-OLEYIWRESA-N 2 0 323.484 3.320 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000303884115 1199601506 /nfs/dbraw/zinc/60/15/06/1199601506.db2.gz MQXMWSZINUCLHH-HOTGVXAUSA-N 2 0 316.493 3.478 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001734012924 1205288388 /nfs/dbraw/zinc/28/83/88/1205288388.db2.gz VJSMDLCJZKAWFL-WWDZGPRUSA-N 2 0 323.525 3.041 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001173309660 1097408105 /nfs/dbraw/zinc/40/81/05/1097408105.db2.gz JCCAWBSADJWDPQ-HZPDHXFCSA-N 2 0 300.487 3.243 20 30 DGEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377503 1082893796 /nfs/dbraw/zinc/89/37/96/1082893796.db2.gz XWJUDRGFCVTYFL-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369720 1083280374 /nfs/dbraw/zinc/28/03/74/1083280374.db2.gz RILFAPYANIRZEN-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369494 1083280516 /nfs/dbraw/zinc/28/05/16/1083280516.db2.gz NHLMPEYALGRMGW-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383082 1087964692 /nfs/dbraw/zinc/96/46/92/1087964692.db2.gz AWISYQKFMUTKQM-UHFFFAOYSA-N 2 0 319.493 3.038 20 30 DGEDRP CC[NH2+]Cc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159956573 1088573247 /nfs/dbraw/zinc/57/32/47/1088573247.db2.gz KIYFEIXOIRZRHW-UHFFFAOYSA-N 2 0 306.413 3.098 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1O ZINC001138631100 1091264721 /nfs/dbraw/zinc/26/47/21/1091264721.db2.gz KUBUDZQSBXDSOQ-UHFFFAOYSA-N 2 0 323.440 3.146 20 30 DGEDRP C=CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC001139411090 1091552305 /nfs/dbraw/zinc/55/23/05/1091552305.db2.gz UIHLDFOZKWHGNE-UHFFFAOYSA-N 2 0 301.478 3.225 20 30 DGEDRP Cc1nccn1-c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140027019 1091743946 /nfs/dbraw/zinc/74/39/46/1091743946.db2.gz UTYYKXHVGNZHMS-XGWQRUHWSA-N 2 0 306.413 3.447 20 30 DGEDRP C[NH+]1CCC(C)(C[NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001208107034 1092198768 /nfs/dbraw/zinc/19/87/68/1092198768.db2.gz IUWKKJVOYCAIOU-UHFFFAOYSA-N 2 0 311.473 3.276 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423692 1092349432 /nfs/dbraw/zinc/34/94/32/1092349432.db2.gz NSCPXMPONVJYEW-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790821 1094290140 /nfs/dbraw/zinc/29/01/40/1094290140.db2.gz IXVJFONKTCKBAQ-JKSUJKDBSA-N 2 0 323.525 3.088 20 30 DGEDRP C[NH2+][C@H]1C[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001217767303 1094491717 /nfs/dbraw/zinc/49/17/17/1094491717.db2.gz OUVRECNQLJWCOM-CALCHBBNSA-N 2 0 314.474 3.490 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860689 1094722194 /nfs/dbraw/zinc/72/21/94/1094722194.db2.gz GGZDVIVJSKOICF-SJORKVTESA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001336887887 1094773084 /nfs/dbraw/zinc/77/30/84/1094773084.db2.gz FSPLANOHEYNWEU-GBESFXJTSA-N 2 0 314.473 3.414 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001121983417 1094858980 /nfs/dbraw/zinc/85/89/80/1094858980.db2.gz ZHAUCGIAOLPWGA-KRWDZBQOSA-N 2 0 311.514 3.007 20 30 DGEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246024988 1094978924 /nfs/dbraw/zinc/97/89/24/1094978924.db2.gz XBCGXNZHELBOPJ-SJORKVTESA-N 2 0 302.478 3.251 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001171180996 1095659561 /nfs/dbraw/zinc/65/95/61/1095659561.db2.gz FYLJLJCPIOTFEJ-MRXNPFEDSA-N 2 0 307.441 3.341 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254980 1095937943 /nfs/dbraw/zinc/93/79/43/1095937943.db2.gz WUQNIBUIJISKBY-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225345881 1096402352 /nfs/dbraw/zinc/40/23/52/1096402352.db2.gz FROSPOPUEWQAHO-KZNAEPCWSA-N 2 0 323.525 3.068 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172300414 1097094047 /nfs/dbraw/zinc/09/40/47/1097094047.db2.gz WFOHEHBBEGSNSA-QGZVFWFLSA-N 2 0 319.452 3.439 20 30 DGEDRP CC(C)C[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299790 1097109556 /nfs/dbraw/zinc/10/95/56/1097109556.db2.gz NWMWAUMRKBONDQ-KRWDZBQOSA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172491103 1097168055 /nfs/dbraw/zinc/16/80/55/1097168055.db2.gz DATRJQVCYOQODK-HNNXBMFYSA-N 2 0 303.425 3.244 20 30 DGEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@H](C)CCCC#N ZINC001172500220 1097172170 /nfs/dbraw/zinc/17/21/70/1097172170.db2.gz KPYGAXNPBQJXSM-GOSISDBHSA-N 2 0 310.530 3.054 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172511004 1097175081 /nfs/dbraw/zinc/17/50/81/1097175081.db2.gz LPXOKSANPNRIPV-GOSISDBHSA-N 2 0 309.542 3.447 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000170903784 1097306817 /nfs/dbraw/zinc/30/68/17/1097306817.db2.gz HEPXMHLDNSZPCK-MRXNPFEDSA-N 2 0 302.466 3.376 20 30 DGEDRP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337618 1097421463 /nfs/dbraw/zinc/42/14/63/1097421463.db2.gz QTUKIFMRIJMHTN-UHFFFAOYSA-N 2 0 319.493 3.034 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1)c1ccccc1 ZINC001235032980 1098761455 /nfs/dbraw/zinc/76/14/55/1098761455.db2.gz NLSCTIBEDXKFRW-QFIPXVFZSA-N 2 0 316.448 3.272 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235140734 1098833217 /nfs/dbraw/zinc/83/32/17/1098833217.db2.gz LQHHSSWUCDJPCO-UHFFFAOYSA-N 2 0 300.446 3.360 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178633861 1098894606 /nfs/dbraw/zinc/89/46/06/1098894606.db2.gz ILWISSTWNVEOKU-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693540 1098911864 /nfs/dbraw/zinc/91/18/64/1098911864.db2.gz VPIKPRRVUYCFJW-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178702362 1098914376 /nfs/dbraw/zinc/91/43/76/1098914376.db2.gz MSOOIIWOOQZQIN-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235423677 1099017735 /nfs/dbraw/zinc/01/77/35/1099017735.db2.gz GGRPHTSFIFAZDE-ZWKOTPCHSA-N 2 0 314.473 3.332 20 30 DGEDRP N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427668 1099020794 /nfs/dbraw/zinc/02/07/94/1099020794.db2.gz MUNPPCFWXUAGOX-JKSUJKDBSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235429209 1099021002 /nfs/dbraw/zinc/02/10/02/1099021002.db2.gz QPUSBASZDUALEP-IAGOWNOFSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235429208 1099023711 /nfs/dbraw/zinc/02/37/11/1099023711.db2.gz QPUSBASZDUALEP-DLBZAZTESA-N 2 0 322.456 3.251 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235663120 1099112852 /nfs/dbraw/zinc/11/28/52/1099112852.db2.gz QYBDVPNVQVLKPX-UHFFFAOYSA-N 2 0 303.494 3.498 20 30 DGEDRP [NH3+]C1CC2(C1)C[NH+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235819284 1099195897 /nfs/dbraw/zinc/19/58/97/1099195897.db2.gz CVJCDSKVYIINJN-UHFFFAOYSA-N 2 0 302.421 3.010 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1)c1ccccc1 ZINC001235935191 1099268311 /nfs/dbraw/zinc/26/83/11/1099268311.db2.gz CWHBDLJYQWUIBW-VXKWHMMOSA-N 2 0 316.448 3.128 20 30 DGEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)ccc1O ZINC001242566466 1102212602 /nfs/dbraw/zinc/21/26/02/1102212602.db2.gz ARYZMYOZCLYXME-UHFFFAOYSA-N 2 0 321.424 3.102 20 30 DGEDRP N#Cc1c2c(cnc1C1=CC[C@H]([NH+]3CCCC3)CC1)C[NH2+]CCC2 ZINC001242687505 1102283941 /nfs/dbraw/zinc/28/39/41/1102283941.db2.gz YMXKDURTBDZQLK-KRWDZBQOSA-N 2 0 322.456 3.021 20 30 DGEDRP CC#Cc1cncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001242941440 1102431438 /nfs/dbraw/zinc/43/14/38/1102431438.db2.gz JAZRIJXHHSZFPI-UHFFFAOYSA-N 2 0 305.425 3.043 20 30 DGEDRP CCCCCCC[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201777499 1102734959 /nfs/dbraw/zinc/73/49/59/1102734959.db2.gz YJMYEXHJZWMORI-MOPGFXCFSA-N 2 0 318.509 3.144 20 30 DGEDRP CCCCCCCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001201852586 1102736854 /nfs/dbraw/zinc/73/68/54/1102736854.db2.gz DLADXSYGTGTSCT-UHFFFAOYSA-N 2 0 309.542 3.450 20 30 DGEDRP N#Cc1c2c(cnc1-c1ccc([C@@H]3CCC[NH2+]3)cc1)C[NH2+]CCC2 ZINC001245345491 1103995925 /nfs/dbraw/zinc/99/59/25/1103995925.db2.gz BEDMDVUGUCVTJX-IBGZPJMESA-N 2 0 318.424 3.081 20 30 DGEDRP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C#N ZINC001328835508 1104086437 /nfs/dbraw/zinc/08/64/37/1104086437.db2.gz WEQCIMQTLMEPPG-INIZCTEOSA-N 2 0 308.429 3.055 20 30 DGEDRP Cc1ccc(C#N)c(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001245605181 1104146871 /nfs/dbraw/zinc/14/68/71/1104146871.db2.gz GCXJTSPYFWTTDN-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[NH2+]C[C@H]1F ZINC001246007406 1104351625 /nfs/dbraw/zinc/35/16/25/1104351625.db2.gz ZYOMAIWLADKEAL-FGTMMUONSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246070330 1104364365 /nfs/dbraw/zinc/36/43/65/1104364365.db2.gz NISHICUHEQDOFA-LJQANCHMSA-N 2 0 308.510 3.480 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246089440 1104377862 /nfs/dbraw/zinc/37/78/62/1104377862.db2.gz FILLRPQKSLSNHG-XBMUEBEBSA-N 2 0 315.436 3.261 20 30 DGEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246122130 1104397206 /nfs/dbraw/zinc/39/72/06/1104397206.db2.gz WEVGOPLHVREWPG-NXMBOHNASA-N 2 0 311.473 3.226 20 30 DGEDRP CCCC[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328383 1104492650 /nfs/dbraw/zinc/49/26/50/1104492650.db2.gz LRFSRECNGULVMR-MSOLQXFVSA-N 2 0 315.461 3.228 20 30 DGEDRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328301 1104492858 /nfs/dbraw/zinc/49/28/58/1104492858.db2.gz KZQZMANGPOWFMS-AEFFLSMTSA-N 2 0 315.461 3.083 20 30 DGEDRP CCCC[C@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327922 1104492910 /nfs/dbraw/zinc/49/29/10/1104492910.db2.gz KFZFXVSOVILAPJ-ZWKOTPCHSA-N 2 0 315.461 3.228 20 30 DGEDRP C=CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001274964193 1104557395 /nfs/dbraw/zinc/55/73/95/1104557395.db2.gz CJHXOJRSAHEUHM-LJQANCHMSA-N 2 0 316.493 3.027 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001274974539 1104563635 /nfs/dbraw/zinc/56/36/35/1104563635.db2.gz MMVIRLWGSBHLLD-UHFFFAOYSA-N 2 0 316.493 3.444 20 30 DGEDRP CCCCCCCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246510671 1104570771 /nfs/dbraw/zinc/57/07/71/1104570771.db2.gz FYTPFUTVFCEFKS-SJORKVTESA-N 2 0 313.530 3.349 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275130813 1104640852 /nfs/dbraw/zinc/64/08/52/1104640852.db2.gz HJTPGLKQQWWZLE-IBGZPJMESA-N 2 0 309.542 3.306 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246642506 1104642143 /nfs/dbraw/zinc/64/21/43/1104642143.db2.gz BVBBPJCXDOPPQD-UZLBHIALSA-N 2 0 311.473 3.343 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246651056 1104647129 /nfs/dbraw/zinc/64/71/29/1104647129.db2.gz WAJUDGWCYMVSDX-MHJFOBGBSA-N 2 0 309.457 3.412 20 30 DGEDRP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001246656415 1104651055 /nfs/dbraw/zinc/65/10/55/1104651055.db2.gz NQOMHHCWUKPZGR-MCAJLIOHSA-N 2 0 314.395 3.205 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246663160 1104654133 /nfs/dbraw/zinc/65/41/33/1104654133.db2.gz XAVTZGLPVQNHDK-OXQOHEQNSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001246790768 1104676594 /nfs/dbraw/zinc/67/65/94/1104676594.db2.gz FLNNVWNFFADLKE-INIZCTEOSA-N 2 0 311.473 3.201 20 30 DGEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246857372 1104710661 /nfs/dbraw/zinc/71/06/61/1104710661.db2.gz ZRTRGXYJNFCRNH-YQVWRLOYSA-N 2 0 324.509 3.210 20 30 DGEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001275605073 1104829657 /nfs/dbraw/zinc/82/96/57/1104829657.db2.gz DOQSSGPOEFPHOK-CALCHBBNSA-N 2 0 324.472 3.040 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001275605939 1104830472 /nfs/dbraw/zinc/83/04/72/1104830472.db2.gz RYHBNSCFIKTGJW-UHFFFAOYSA-N 2 0 324.472 3.184 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275707808 1104874178 /nfs/dbraw/zinc/87/41/78/1104874178.db2.gz AIWRGFAACWJLPQ-CALCHBBNSA-N 2 0 300.446 3.025 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001275786741 1104907322 /nfs/dbraw/zinc/90/73/22/1104907322.db2.gz ZTXATVCLWQNYAZ-HXUWFJFHSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCC[C@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001252586242 1105798418 /nfs/dbraw/zinc/79/84/18/1105798418.db2.gz DPQYXVBCCLGRKX-FQEVSTJZSA-N 2 0 316.489 3.205 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001254665769 1106127525 /nfs/dbraw/zinc/12/75/25/1106127525.db2.gz PXBHWJOQKSOTOF-FUHWJXTLSA-N 2 0 313.445 3.260 20 30 DGEDRP CC[C@@H](CC#N)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC001255159841 1106193975 /nfs/dbraw/zinc/19/39/75/1106193975.db2.gz CGVOHNYIZZWWDY-KRWDZBQOSA-N 2 0 303.425 3.320 20 30 DGEDRP CC[C@H](CC#N)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162460 1106194885 /nfs/dbraw/zinc/19/48/85/1106194885.db2.gz QFQYBKIRYJFJCM-GUDVDZBRSA-N 2 0 310.445 3.322 20 30 DGEDRP C/C(N[C@@H](C)Cc1ccc(F)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001255867404 1106333022 /nfs/dbraw/zinc/33/30/22/1106333022.db2.gz AMMRAYUIGDXLFZ-AWEZNQCLSA-N 2 0 313.420 3.424 20 30 DGEDRP N#CC1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256962299 1106515935 /nfs/dbraw/zinc/51/59/35/1106515935.db2.gz GMGDZKLOKMJPMG-PSYANXERSA-N 2 0 312.461 3.236 20 30 DGEDRP N#CC1CCC([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001256963975 1106516786 /nfs/dbraw/zinc/51/67/86/1106516786.db2.gz SQXPXHQBPHFKEC-LXPRWKDFSA-N 2 0 301.478 3.479 20 30 DGEDRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C#N)CC1 ZINC001256966974 1106517728 /nfs/dbraw/zinc/51/77/28/1106517728.db2.gz RTGJWRHLVBUVIP-OFLPRAFFSA-N 2 0 319.493 3.080 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001258040480 1106663019 /nfs/dbraw/zinc/66/30/19/1106663019.db2.gz DMFYFHYNLCRIRF-HZMVEIRTSA-N 2 0 300.487 3.050 20 30 DGEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001258728835 1106934480 /nfs/dbraw/zinc/93/44/80/1106934480.db2.gz QOJPYBXQKYKUFQ-BHIYHBOVSA-N 2 0 306.494 3.021 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001258733893 1106940343 /nfs/dbraw/zinc/94/03/43/1106940343.db2.gz NSKXBKLTLROLBH-LJQANCHMSA-N 2 0 309.542 3.471 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258902867 1107049791 /nfs/dbraw/zinc/04/97/91/1107049791.db2.gz HTIHOQGTUFFGJB-OAHLLOKOSA-N 2 0 312.461 3.451 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001258903165 1107051332 /nfs/dbraw/zinc/05/13/32/1107051332.db2.gz LUFGPIMCEKUPOO-MRXNPFEDSA-N 2 0 303.450 3.037 20 30 DGEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001317704704 1107610554 /nfs/dbraw/zinc/61/05/54/1107610554.db2.gz IBWWSKKBTNSODF-GOSISDBHSA-N 2 0 323.525 3.044 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000411404782 282215189 /nfs/dbraw/zinc/21/51/89/282215189.db2.gz ZJLQWCVDYJOEJI-KURKYZTESA-N 2 0 319.493 3.034 20 30 DGEDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181524695 199310759 /nfs/dbraw/zinc/31/07/59/199310759.db2.gz DHVDIAOIUUYEFW-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181524567 199310956 /nfs/dbraw/zinc/31/09/56/199310956.db2.gz VRUIXZQGKUDFPE-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(C#N)c1 ZINC000600789510 400154986 /nfs/dbraw/zinc/15/49/86/400154986.db2.gz FOZBOYROWOQFRP-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N ZINC000610992428 400334231 /nfs/dbraw/zinc/33/42/31/400334231.db2.gz CYEFWXDBKJMVHZ-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000590962126 400469970 /nfs/dbraw/zinc/46/99/70/400469970.db2.gz JVHCPPKKXFHYIQ-HXUWFJFHSA-N 2 0 318.424 3.199 20 30 DGEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602544879 400493231 /nfs/dbraw/zinc/49/32/31/400493231.db2.gz FAMJWDSCQZDGEQ-QGZVFWFLSA-N 2 0 315.461 3.191 20 30 DGEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602544877 400493323 /nfs/dbraw/zinc/49/33/23/400493323.db2.gz FAMJWDSCQZDGEQ-KRWDZBQOSA-N 2 0 315.461 3.191 20 30 DGEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133399 400566580 /nfs/dbraw/zinc/56/65/80/400566580.db2.gz TWZCZHDOLUJMGM-IBGZPJMESA-N 2 0 323.484 3.405 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000619620204 400874364 /nfs/dbraw/zinc/87/43/64/400874364.db2.gz PUMCQDZFSPNFOD-UHFFFAOYSA-N 2 0 321.509 3.139 20 30 DGEDRP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192917774 165311167 /nfs/dbraw/zinc/31/11/67/165311167.db2.gz LHSAZLIJZPQONS-HXUWFJFHSA-N 2 0 305.425 3.170 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000246860681 432174076 /nfs/dbraw/zinc/17/40/76/432174076.db2.gz DADHDBWOBZBIHJ-INDMIFKZSA-N 2 0 307.526 3.003 20 30 DGEDRP CSC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC[NH+](C)CC1 ZINC000353660818 265501332 /nfs/dbraw/zinc/50/13/32/265501332.db2.gz OSWVQWYFMIJPMW-CQSZACIVSA-N 2 0 303.475 3.036 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000108428596 431144535 /nfs/dbraw/zinc/14/45/35/431144535.db2.gz GOUYEMGERCMBNT-QGZVFWFLSA-N 2 0 318.461 3.082 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000069674729 431213478 /nfs/dbraw/zinc/21/34/78/431213478.db2.gz XZQDIQQRKGBFRG-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP C=CCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000126496438 431951186 /nfs/dbraw/zinc/95/11/86/431951186.db2.gz MZGNMSIEUVFTBP-FQEVSTJZSA-N 2 0 316.489 3.158 20 30 DGEDRP N#Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000271449527 432398101 /nfs/dbraw/zinc/39/81/01/432398101.db2.gz DMGFJPFZCVTIIR-UHFFFAOYSA-N 2 0 324.403 3.099 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)c1 ZINC000264129290 432616923 /nfs/dbraw/zinc/61/69/23/432616923.db2.gz XMMREVJFKMEYIS-UHFFFAOYSA-N 2 0 302.466 3.269 20 30 DGEDRP C=CCc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1O ZINC000421373959 433518563 /nfs/dbraw/zinc/51/85/63/433518563.db2.gz OIVIPUZCLHRYRI-UHFFFAOYSA-N 2 0 318.461 3.092 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000449144143 433725152 /nfs/dbraw/zinc/72/51/52/433725152.db2.gz YPHFWYIIJHQQSZ-BMHOQUIDSA-N 2 0 321.509 3.185 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785388 433835236 /nfs/dbraw/zinc/83/52/36/433835236.db2.gz SOSCUMVICKYRAH-ROUUACIJSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000305767265 434081020 /nfs/dbraw/zinc/08/10/20/434081020.db2.gz HOKBTNVYMJWDIA-IPMKNSEASA-N 2 0 306.494 3.089 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000348217340 434288748 /nfs/dbraw/zinc/28/87/48/434288748.db2.gz PQVQIENJCZSXAF-IAGOWNOFSA-N 2 0 309.498 3.043 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423262136 434325649 /nfs/dbraw/zinc/32/56/49/434325649.db2.gz UNHAVPHSVJQBKR-KKXNLOMOSA-N 2 0 311.473 3.370 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423544005 434486914 /nfs/dbraw/zinc/48/69/14/434486914.db2.gz NTIKVINFYCXQTR-XFKSJGNHSA-N 2 0 309.457 3.303 20 30 DGEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000459728468 434679637 /nfs/dbraw/zinc/67/96/37/434679637.db2.gz HZXQROVISBPOIS-QGZVFWFLSA-N 2 0 315.461 3.191 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000424328353 434700628 /nfs/dbraw/zinc/70/06/28/434700628.db2.gz NZQJAJBVEHNYOK-UJMXGEILSA-N 2 0 309.457 3.464 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000651733319 435809598 /nfs/dbraw/zinc/80/95/98/435809598.db2.gz DJMRVYPNEYRRRV-XGXHKWSGSA-N 2 0 306.494 3.089 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783902 436043496 /nfs/dbraw/zinc/04/34/96/436043496.db2.gz BFXMEFNLDOJXBN-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786262 436044228 /nfs/dbraw/zinc/04/42/28/436044228.db2.gz RABAVJJTGCWHDD-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786916 436044841 /nfs/dbraw/zinc/04/48/41/436044841.db2.gz XQOUGRNHKQAGMG-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651322008 436164384 /nfs/dbraw/zinc/16/43/84/436164384.db2.gz PSYJGYPQBYVTBD-ZCNNSNEGSA-N 2 0 314.473 3.222 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537133 436238310 /nfs/dbraw/zinc/23/83/10/436238310.db2.gz AAYLYYHLKHPXLP-AEFFLSMTSA-N 2 0 306.494 3.212 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594846 436257025 /nfs/dbraw/zinc/25/70/25/436257025.db2.gz DEBMJTRNLZKSJS-NSISKUIASA-N 2 0 314.473 3.088 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000657924610 436341231 /nfs/dbraw/zinc/34/12/31/436341231.db2.gz CQRGNHOWMVQNIX-LULLPPNCSA-N 2 0 306.494 3.089 20 30 DGEDRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000572714587 332654046 /nfs/dbraw/zinc/65/40/46/332654046.db2.gz QGYDDTINJQYBRX-WWDZGPRUSA-N 2 0 302.466 3.063 20 30 DGEDRP C=C(CC)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449730081 534418552 /nfs/dbraw/zinc/41/85/52/534418552.db2.gz CRWCNBGXMFHOIA-UHFFFAOYSA-N 2 0 301.478 3.273 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423483803 534576441 /nfs/dbraw/zinc/57/64/41/534576441.db2.gz ZRYGQWDIXAUSRE-FVPXHTFXSA-N 2 0 311.473 3.498 20 30 DGEDRP C=CCOCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000348050483 526751048 /nfs/dbraw/zinc/75/10/48/526751048.db2.gz KAYYOXCWMBWEGJ-UHFFFAOYSA-N 2 0 316.489 3.423 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347108613 526864907 /nfs/dbraw/zinc/86/49/07/526864907.db2.gz OYEHNGHJFQYOSX-IBGZPJMESA-N 2 0 300.446 3.215 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000348217344 528669317 /nfs/dbraw/zinc/66/93/17/528669317.db2.gz PQVQIENJCZSXAF-SJORKVTESA-N 2 0 309.498 3.043 20 30 DGEDRP C=C(C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000675783820 548271111 /nfs/dbraw/zinc/27/11/11/548271111.db2.gz UBJNZJSRJSUULW-AZUAARDMSA-N 2 0 316.489 3.426 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679044844 548822566 /nfs/dbraw/zinc/82/25/66/548822566.db2.gz REYNMIKYWGOUKX-CMKODMSKSA-N 2 0 316.489 3.204 20 30 DGEDRP C=CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000680481795 549058223 /nfs/dbraw/zinc/05/82/23/549058223.db2.gz XOTPEHGZPQRJNW-UHFFFAOYSA-N 2 0 300.446 3.312 20 30 DGEDRP CC(C)CO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000749636564 576098379 /nfs/dbraw/zinc/09/83/79/576098379.db2.gz PTDXTJQNAIKQOW-UHFFFAOYSA-N 2 0 303.450 3.224 20 30 DGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675406 618084079 /nfs/dbraw/zinc/08/40/79/618084079.db2.gz HZNPQFOJSCKYDM-DWBSNAHUSA-N 2 0 306.494 3.353 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924937577 618744566 /nfs/dbraw/zinc/74/45/66/618744566.db2.gz DOWLVXDIPLOFHD-PKOBYXMFSA-N 2 0 313.489 3.469 20 30 DGEDRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C#N)c1 ZINC000902787273 619676201 /nfs/dbraw/zinc/67/62/01/619676201.db2.gz YYYHODYCVAWTSD-LJQANCHMSA-N 2 0 315.461 3.100 20 30 DGEDRP C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903109211 619718381 /nfs/dbraw/zinc/71/83/81/619718381.db2.gz ZNJSJWWRNPXXTK-INIZCTEOSA-N 2 0 315.461 3.362 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903165724 619728565 /nfs/dbraw/zinc/72/85/65/619728565.db2.gz NZGZJHDWYUECPZ-JLYLLQBASA-N 2 0 312.457 3.499 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CCC1 ZINC000903759610 619809197 /nfs/dbraw/zinc/80/91/97/619809197.db2.gz BHWFPJQMLRWWGQ-QZTJIDSGSA-N 2 0 319.493 3.069 20 30 DGEDRP N#Cc1ccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCC2)cc1 ZINC000903932015 619836399 /nfs/dbraw/zinc/83/63/99/619836399.db2.gz LCAFYFUCTCXMTF-UHFFFAOYSA-N 2 0 317.436 3.373 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]/C2CC[NH+](CC)CC2)c(O)c1 ZINC000920944541 620828894 /nfs/dbraw/zinc/82/88/94/620828894.db2.gz ODRMMTWTDFWUPH-XMHGGMMESA-N 2 0 303.450 3.142 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000922268327 621015328 /nfs/dbraw/zinc/01/53/28/621015328.db2.gz DMGLONAFBDQKMW-SFHVURJKSA-N 2 0 311.473 3.387 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490965 621197795 /nfs/dbraw/zinc/19/77/95/621197795.db2.gz UDVDJPBPPVIIKR-SJORKVTESA-N 2 0 300.446 3.081 20 30 DGEDRP C=CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000838959140 621304099 /nfs/dbraw/zinc/30/40/99/621304099.db2.gz YTJKQXXAPGAOBK-IBGZPJMESA-N 2 0 308.429 3.352 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000862547392 621600037 /nfs/dbraw/zinc/60/00/37/621600037.db2.gz DPGJTRNWJHDDHF-SCTDSRPQSA-N 2 0 306.494 3.048 20 30 DGEDRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000774494913 623152080 /nfs/dbraw/zinc/15/20/80/623152080.db2.gz GXZOJSUETBFJTB-OAHLLOKOSA-N 2 0 313.445 3.114 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000778167945 623619376 /nfs/dbraw/zinc/61/93/76/623619376.db2.gz VRUKWDUZYGGWPT-UHFFFAOYSA-N 2 0 320.864 3.174 20 30 DGEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876933151 623747596 /nfs/dbraw/zinc/74/75/96/623747596.db2.gz GTJMWHMNRJIAQF-CQSZACIVSA-N 2 0 320.868 3.208 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876933699 623748366 /nfs/dbraw/zinc/74/83/66/623748366.db2.gz WTWLBAFJFFBGGD-CQSZACIVSA-N 2 0 320.868 3.351 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000790751783 625692552 /nfs/dbraw/zinc/69/25/52/625692552.db2.gz XOGZQIMMTAJWSD-QGZVFWFLSA-N 2 0 314.473 3.471 20 30 DGEDRP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000883233136 626617679 /nfs/dbraw/zinc/61/76/79/626617679.db2.gz ATWOPFZMPDBWPQ-KURKYZTESA-N 2 0 302.462 3.330 20 30 DGEDRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000809738963 626944252 /nfs/dbraw/zinc/94/42/52/626944252.db2.gz RGZSLAUASURQFO-UHFFFAOYSA-N 2 0 323.440 3.260 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809767118 626948659 /nfs/dbraw/zinc/94/86/59/626948659.db2.gz GJDLZFRUYOEVLQ-QUCCMNQESA-N 2 0 312.457 3.005 20 30 DGEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134760 627228120 /nfs/dbraw/zinc/22/81/20/627228120.db2.gz PSYUIVAUUVFIFM-HOTGVXAUSA-N 2 0 306.413 3.225 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815150590 627638307 /nfs/dbraw/zinc/63/83/07/627638307.db2.gz BHRYOHIJBJXJIY-UHFFFAOYSA-N 2 0 300.446 3.054 20 30 DGEDRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000925887320 627812442 /nfs/dbraw/zinc/81/24/42/627812442.db2.gz ZEERUIPLJPNSFA-ADLFWFRXSA-N 2 0 323.415 3.407 20 30 DGEDRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000926753175 627947014 /nfs/dbraw/zinc/94/70/14/627947014.db2.gz FRTSDRIGDMTTGF-WMLDXEAASA-N 2 0 301.434 3.036 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824913591 628705712 /nfs/dbraw/zinc/70/57/12/628705712.db2.gz BLZBNLVRYIXGML-OAHLLOKOSA-N 2 0 303.450 3.187 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000827564620 628971405 /nfs/dbraw/zinc/97/14/05/628971405.db2.gz DWUSPBHVCRDPEJ-FFZOFVMBSA-N 2 0 318.505 3.048 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OCC#N)cc1 ZINC000844923445 630985715 /nfs/dbraw/zinc/98/57/15/630985715.db2.gz IELIXSMUZHUWDA-CYBMUJFWSA-N 2 0 313.376 3.038 20 30 DGEDRP C=CCNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849007656 631804811 /nfs/dbraw/zinc/80/48/11/631804811.db2.gz KDRHDIWMCUBZIE-WBVHZDCISA-N 2 0 302.466 3.052 20 30 DGEDRP CC(C)C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849101700 631835641 /nfs/dbraw/zinc/83/56/41/631835641.db2.gz DQBZVZDLNKEDQO-WMZOPIPTSA-N 2 0 318.509 3.231 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793540382 661043810 /nfs/dbraw/zinc/04/38/10/661043810.db2.gz JLPGKDKICQROAW-ZWKOTPCHSA-N 2 0 307.526 3.270 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237506223 655794002 /nfs/dbraw/zinc/79/40/02/655794002.db2.gz YNOKDTDXWWXSOJ-SFHVURJKSA-N 2 0 314.473 3.443 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000157394599 655823053 /nfs/dbraw/zinc/82/30/53/655823053.db2.gz WIZBCOXBJHDVNV-QGZVFWFLSA-N 2 0 316.493 3.398 20 30 DGEDRP CN(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000303720891 657557646 /nfs/dbraw/zinc/55/76/46/657557646.db2.gz WXXFEDUQAQDAEL-LJQANCHMSA-N 2 0 322.456 3.205 20 30 DGEDRP CC(C)[NH+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C(C)C ZINC000303723891 657559123 /nfs/dbraw/zinc/55/91/23/657559123.db2.gz ZHJANNNJNNYNFX-UHFFFAOYSA-N 2 0 302.466 3.021 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000303778763 657561957 /nfs/dbraw/zinc/56/19/57/657561957.db2.gz JWNOZZZTAXOGTM-KRWDZBQOSA-N 2 0 302.466 3.096 20 30 DGEDRP CC(C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000303867505 657568539 /nfs/dbraw/zinc/56/85/39/657568539.db2.gz CXZROYRTBMGVQH-UHFFFAOYSA-N 2 0 316.493 3.264 20 30 DGEDRP CC[N@@H+]1CC[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000303882735 657571686 /nfs/dbraw/zinc/57/16/86/657571686.db2.gz IJMXYWBVZVGURH-KRWDZBQOSA-N 2 0 314.477 3.282 20 30 DGEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000303892635 657573011 /nfs/dbraw/zinc/57/30/11/657573011.db2.gz NTOFCVDBCKICNK-MRXNPFEDSA-N 2 0 318.509 3.367 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303889565 657573641 /nfs/dbraw/zinc/57/36/41/657573641.db2.gz MBBUGIPGQUKXSS-MRXNPFEDSA-N 2 0 316.493 3.123 20 30 DGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000303910695 657578835 /nfs/dbraw/zinc/57/88/35/657578835.db2.gz ZCXHZDRIUFYYSM-CABCVRRESA-N 2 0 314.477 3.022 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303973042 657582281 /nfs/dbraw/zinc/58/22/81/657582281.db2.gz GKUKLIJFHAGJMZ-UHFFFAOYSA-N 2 0 316.493 3.267 20 30 DGEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000304752720 657646903 /nfs/dbraw/zinc/64/69/03/657646903.db2.gz KMYBKAFOFHRQRS-INIZCTEOSA-N 2 0 310.530 3.228 20 30 DGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000305742827 657733541 /nfs/dbraw/zinc/73/35/41/657733541.db2.gz IPZFNUIXAJHUAG-IAGOWNOFSA-N 2 0 322.541 3.372 20 30 DGEDRP CN(C)[C@H](CNC(=[NH2+])NC1CCCCCC1)c1cccc(F)c1 ZINC000305747453 657999509 /nfs/dbraw/zinc/99/95/09/657999509.db2.gz SJFUEULVFUJGRQ-QGZVFWFLSA-N 2 0 320.456 3.056 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000305802794 658059272 /nfs/dbraw/zinc/05/92/72/658059272.db2.gz FCBSGBOHFSXNTP-OAHLLOKOSA-N 2 0 302.466 3.240 20 30 DGEDRP N#CC1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000930060166 659901932 /nfs/dbraw/zinc/90/19/32/659901932.db2.gz GHFJGIVCMYCRFA-HTPOPCQBSA-N 2 0 301.478 3.265 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000237671742 659934961 /nfs/dbraw/zinc/93/49/61/659934961.db2.gz DIFTUOQWRNRWON-GOSISDBHSA-N 2 0 314.473 3.443 20 30 DGEDRP C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929326929 661297571 /nfs/dbraw/zinc/29/75/71/661297571.db2.gz BLCQFTMMTUAFTQ-UHFFFAOYSA-N 2 0 305.853 3.375 20 30 DGEDRP N#Cc1ccc(C2=CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001580066927 1192005605 /nfs/dbraw/zinc/00/56/05/1192005605.db2.gz ZEYYRQJOIMEDBQ-XGSMCBPESA-N 2 0 307.441 3.178 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1F ZINC001580075925 1192006363 /nfs/dbraw/zinc/00/63/63/1192006363.db2.gz KUKHCLZRDVUVBT-OAHLLOKOSA-N 2 0 315.436 3.299 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157391814 1176588366 /nfs/dbraw/zinc/58/83/66/1176588366.db2.gz ZHHWGAQCLBGGRQ-INIZCTEOSA-N 2 0 302.466 3.090 20 30 DGEDRP N#CCC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000382092599 1177027359 /nfs/dbraw/zinc/02/73/59/1177027359.db2.gz ZHFPIXVTHPWYJW-MOPGFXCFSA-N 2 0 309.457 3.134 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629531 1177354919 /nfs/dbraw/zinc/35/49/19/1177354919.db2.gz QASFZUCMXAGEFE-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001691629530 1177355375 /nfs/dbraw/zinc/35/53/75/1177355375.db2.gz QASFZUCMXAGEFE-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527930 1187028285 /nfs/dbraw/zinc/02/82/85/1187028285.db2.gz YKFIPXMGUXALEF-KRWDZBQOSA-N 2 0 323.525 3.057 20 30 DGEDRP C#C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001574504438 1191445300 /nfs/dbraw/zinc/44/53/00/1191445300.db2.gz JAYQRMVMIFMCEY-ZENOOKHLSA-N 2 0 321.262 3.101 20 30 DGEDRP C#C[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001574504437 1191445340 /nfs/dbraw/zinc/44/53/40/1191445340.db2.gz JAYQRMVMIFMCEY-XEZPLFJOSA-N 2 0 321.262 3.101 20 30 DGEDRP C=C1CCC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001657954877 1196196091 /nfs/dbraw/zinc/19/60/91/1196196091.db2.gz LTKNJZVMOYZSPS-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000303876143 1199601622 /nfs/dbraw/zinc/60/16/22/1199601622.db2.gz DQVHRPYLNJSJTN-UHFFFAOYSA-N 2 0 302.466 3.376 20 30 DGEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270070 1082863809 /nfs/dbraw/zinc/86/38/09/1082863809.db2.gz QDLNLRCBVNGNCA-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270068 1082863942 /nfs/dbraw/zinc/86/39/42/1082863942.db2.gz QDLNLRCBVNGNCA-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365482 1082889997 /nfs/dbraw/zinc/88/99/97/1082889997.db2.gz KTYLBSFYFVTSNV-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750177 1083286405 /nfs/dbraw/zinc/28/64/05/1083286405.db2.gz HDGXMAGFRDPKNZ-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170751818 1083292140 /nfs/dbraw/zinc/29/21/40/1083292140.db2.gz VYPTWPSPEVBGAK-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001134736326 1083325901 /nfs/dbraw/zinc/32/59/01/1083325901.db2.gz CKCZRYUZIKKALL-ZIAGYGMSSA-N 2 0 314.433 3.016 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289205 1089048959 /nfs/dbraw/zinc/04/89/59/1089048959.db2.gz OOBQKKNMXHEGBT-SJORKVTESA-N 2 0 313.530 3.124 20 30 DGEDRP C=CCN(c1cccc(N2CCC([NH3+])CC2)[nH+]1)C1CCCCC1 ZINC001157850557 1090131941 /nfs/dbraw/zinc/13/19/41/1090131941.db2.gz MCIRLSVPIGLTAL-UHFFFAOYSA-N 2 0 314.477 3.334 20 30 DGEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164490787 1090432818 /nfs/dbraw/zinc/43/28/18/1090432818.db2.gz ABKQUXSEPJTBFZ-IPMKNSEASA-N 2 0 312.533 3.325 20 30 DGEDRP C=C(C)COc1ccccc1CN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001138665610 1091281830 /nfs/dbraw/zinc/28/18/30/1091281830.db2.gz AHIUGAHXLXVGFI-KDURUIRLSA-N 2 0 314.473 3.415 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205992981 1091439513 /nfs/dbraw/zinc/43/95/13/1091439513.db2.gz GPZODPSIETZKHI-DLBZAZTESA-N 2 0 302.462 3.448 20 30 DGEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973128 1091676146 /nfs/dbraw/zinc/67/61/46/1091676146.db2.gz BBYJFGDUHLCSRD-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(C#N)c3Cl)C2)CC1 ZINC001140809818 1092013029 /nfs/dbraw/zinc/01/30/29/1092013029.db2.gz JDBNDAUYTYQRIF-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331923 1092316532 /nfs/dbraw/zinc/31/65/32/1092316532.db2.gz YOPUMNFKHOADHH-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341352 1092320706 /nfs/dbraw/zinc/32/07/06/1092320706.db2.gz ZNAXPCQYYOXKCS-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169143304 1092559046 /nfs/dbraw/zinc/55/90/46/1092559046.db2.gz ZFTWVMYPXXURJK-WKCHPHFGSA-N 2 0 323.484 3.438 20 30 DGEDRP N#Cc1ccc2c(CN3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001142911631 1092584216 /nfs/dbraw/zinc/58/42/16/1092584216.db2.gz CBZOBZBGNNEFCN-UHFFFAOYSA-N 2 0 308.429 3.100 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000303789272 1093848627 /nfs/dbraw/zinc/84/86/27/1093848627.db2.gz VEVFTKGEYZTTSA-UHFFFAOYSA-N 2 0 310.445 3.244 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860686 1094722502 /nfs/dbraw/zinc/72/25/02/1094722502.db2.gz GGZDVIVJSKOICF-DLBZAZTESA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220509213 1095108312 /nfs/dbraw/zinc/10/83/12/1095108312.db2.gz OTAWTTGBTZKMST-INIZCTEOSA-N 2 0 323.525 3.218 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001171178659 1095651255 /nfs/dbraw/zinc/65/12/55/1095651255.db2.gz JCOCOGKEURUGMP-KURKYZTESA-N 2 0 313.489 3.447 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001171194179 1095694914 /nfs/dbraw/zinc/69/49/14/1095694914.db2.gz GYSCNAQLKIZYTG-INIZCTEOSA-N 2 0 311.473 3.343 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330859 1096362085 /nfs/dbraw/zinc/36/20/85/1096362085.db2.gz VVHQAXCJMGZYPV-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@@H](CCCC#N)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172495784 1097170386 /nfs/dbraw/zinc/17/03/86/1097170386.db2.gz UZKFSKJIOMLNAJ-HOTGVXAUSA-N 2 0 307.482 3.080 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172502997 1097172887 /nfs/dbraw/zinc/17/28/87/1097172887.db2.gz VGKURPKTNYUGOL-GOSISDBHSA-N 2 0 309.542 3.447 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173319357 1097429331 /nfs/dbraw/zinc/42/93/31/1097429331.db2.gz GTDYURMBBUBPST-UHFFFAOYSA-N 2 0 306.494 3.451 20 30 DGEDRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600158 1097469066 /nfs/dbraw/zinc/46/90/66/1097469066.db2.gz WGPPROIIZABDMS-CUYAVPTFSA-N 2 0 319.493 3.034 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001175774501 1098166949 /nfs/dbraw/zinc/16/69/49/1098166949.db2.gz FMKHYGZSILCGPQ-QGZVFWFLSA-N 2 0 320.440 3.281 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001277873656 1098633599 /nfs/dbraw/zinc/63/35/99/1098633599.db2.gz ZXRFCZQPAPVRBP-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042953 1098769484 /nfs/dbraw/zinc/76/94/84/1098769484.db2.gz DBNCAMMPKRAIGP-LJQANCHMSA-N 2 0 300.446 3.360 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236306 1098910193 /nfs/dbraw/zinc/91/01/93/1098910193.db2.gz DUBJCXKBZMBWFU-FQEVSTJZSA-N 2 0 311.473 3.475 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693639 1098911944 /nfs/dbraw/zinc/91/19/44/1098911944.db2.gz YOXZNVYUBWGBML-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP N#CCCC[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001277942876 1098978625 /nfs/dbraw/zinc/97/86/25/1098978625.db2.gz GCVYYSVKSRYRRF-UHFFFAOYSA-N 2 0 303.372 3.030 20 30 DGEDRP N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427664 1099020675 /nfs/dbraw/zinc/02/06/75/1099020675.db2.gz MUNPPCFWXUAGOX-HZPDHXFCSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CCCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277949019 1099063070 /nfs/dbraw/zinc/06/30/70/1099063070.db2.gz QLTIFRVJSTUFCB-ZWKOTPCHSA-N 2 0 300.450 3.233 20 30 DGEDRP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235529369 1099078593 /nfs/dbraw/zinc/07/85/93/1099078593.db2.gz ZHHHYTPJJTYNDE-SFHVURJKSA-N 2 0 307.397 3.109 20 30 DGEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179749023 1099197626 /nfs/dbraw/zinc/19/76/26/1099197626.db2.gz UNHFNWIMZGHJBP-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746805 1099197912 /nfs/dbraw/zinc/19/79/12/1099197912.db2.gz YJAAVTOSIPCLQK-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001235925385 1099262062 /nfs/dbraw/zinc/26/20/62/1099262062.db2.gz KOJQWQNFPSPRFL-NRFANRHFSA-N 2 0 304.437 3.400 20 30 DGEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240355975 1100956844 /nfs/dbraw/zinc/95/68/44/1100956844.db2.gz MFMVGWWWZGYNOZ-UHFFFAOYSA-N 2 0 303.409 3.118 20 30 DGEDRP C[C@@H]1CC(=O)C=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001242743740 1102321869 /nfs/dbraw/zinc/32/18/69/1102321869.db2.gz ATESYGXNFKRKNH-HNNXBMFYSA-N 2 0 312.457 3.240 20 30 DGEDRP C[C@H](C#N)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201666697 1102676915 /nfs/dbraw/zinc/67/69/15/1102676915.db2.gz WAJRDUJACMRCGU-OAHLLOKOSA-N 2 0 321.428 3.204 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001246029304 1104353835 /nfs/dbraw/zinc/35/38/35/1104353835.db2.gz DBIWWOMNAMQHES-GOSISDBHSA-N 2 0 308.510 3.340 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246024979 1104355507 /nfs/dbraw/zinc/35/55/07/1104355507.db2.gz XBCGXNZHELBOPJ-DLBZAZTESA-N 2 0 302.478 3.251 20 30 DGEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001274374935 1104365987 /nfs/dbraw/zinc/36/59/87/1104365987.db2.gz DZAGISNGPOANNQ-KRWDZBQOSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC001246090334 1104381280 /nfs/dbraw/zinc/38/12/80/1104381280.db2.gz FWPTVMLYEWHTHP-NXMBOHNASA-N 2 0 311.473 3.368 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246133391 1104401145 /nfs/dbraw/zinc/40/11/45/1104401145.db2.gz NPNPBWWJHGPWGH-MRXNPFEDSA-N 2 0 321.513 3.390 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246260879 1104464527 /nfs/dbraw/zinc/46/45/27/1104464527.db2.gz BVIUHBCTHJVDJH-NHCUHLMSSA-N 2 0 304.437 3.121 20 30 DGEDRP CC[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@H](CC)[NH2+]1 ZINC001246327847 1104491000 /nfs/dbraw/zinc/49/10/00/1104491000.db2.gz UWAVEZBZRZAKAQ-PIIMJCKOSA-N 2 0 324.472 3.496 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246419936 1104534228 /nfs/dbraw/zinc/53/42/28/1104534228.db2.gz UOYDHHZZEWRPOM-INIZCTEOSA-N 2 0 302.462 3.261 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001274891934 1104535591 /nfs/dbraw/zinc/53/55/91/1104535591.db2.gz ICWTYTIDIATGMA-FQEVSTJZSA-N 2 0 311.473 3.299 20 30 DGEDRP SCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246464907 1104549392 /nfs/dbraw/zinc/54/93/92/1104549392.db2.gz HCYHJZIAFXWVDO-MSOLQXFVSA-N 2 0 306.519 3.430 20 30 DGEDRP C=CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001274964605 1104557824 /nfs/dbraw/zinc/55/78/24/1104557824.db2.gz QHFWWGUCRJTWCE-RBUKOAKNSA-N 2 0 315.461 3.278 20 30 DGEDRP N#Cc1cncc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001275026855 1104580024 /nfs/dbraw/zinc/58/00/24/1104580024.db2.gz BZCUSLGEQKHEQQ-UHFFFAOYSA-N 2 0 324.472 3.184 20 30 DGEDRP CCCCCCC[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001275131902 1104642122 /nfs/dbraw/zinc/64/21/22/1104642122.db2.gz ZZFYOBYOBBKXDV-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246679556 1104659073 /nfs/dbraw/zinc/65/90/73/1104659073.db2.gz UYQCGRBRIYAQOL-LSTHTHJFSA-N 2 0 311.473 3.201 20 30 DGEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c[nH]c4ccc(C#N)cc34)(C1)CCC2 ZINC001275950475 1104966698 /nfs/dbraw/zinc/96/66/98/1104966698.db2.gz XMSYORCECYSRJT-RBUKOAKNSA-N 2 0 308.429 3.194 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001253242455 1105908537 /nfs/dbraw/zinc/90/85/37/1105908537.db2.gz LCOLTLMILPRPCT-CEXWTWQISA-N 2 0 308.510 3.148 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001253255456 1105913479 /nfs/dbraw/zinc/91/34/79/1105913479.db2.gz JAGJPQSQPJRTHM-IBGZPJMESA-N 2 0 308.510 3.338 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001253255458 1105913849 /nfs/dbraw/zinc/91/38/49/1105913849.db2.gz JAGJPQSQPJRTHM-LJQANCHMSA-N 2 0 308.510 3.338 20 30 DGEDRP C[NH+](C)CCC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254342058 1106056309 /nfs/dbraw/zinc/05/63/09/1106056309.db2.gz MCXQLYASCLAGTC-UHFFFAOYSA-N 2 0 303.425 3.071 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643868 1106120579 /nfs/dbraw/zinc/12/05/79/1106120579.db2.gz NZQJAJBVEHNYOK-VYJAJWGXSA-N 2 0 309.457 3.464 20 30 DGEDRP CC[C@H](CC#N)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001255170922 1106198813 /nfs/dbraw/zinc/19/88/13/1106198813.db2.gz ZQWDFXODRSDEON-QGZVFWFLSA-N 2 0 301.434 3.260 20 30 DGEDRP N#CC1CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001256962697 1106516073 /nfs/dbraw/zinc/51/60/73/1106516073.db2.gz UDNMKHBQCGLAPI-UHFFFAOYSA-N 2 0 315.436 3.244 20 30 DGEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C1CCC(C#N)CC1 ZINC001256972571 1106518896 /nfs/dbraw/zinc/51/88/96/1106518896.db2.gz CORIWFGVVWMVEM-UHFFFAOYSA-N 2 0 322.541 3.054 20 30 DGEDRP C=C1C[C@@H]2CC(N3CCO[C@@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894138 1106642159 /nfs/dbraw/zinc/64/21/59/1106642159.db2.gz KUFXJBZYWWTQDC-SWDXFRIISA-N 2 0 306.494 3.164 20 30 DGEDRP CC(C)C[NH+]1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001258004069 1106655695 /nfs/dbraw/zinc/65/56/95/1106655695.db2.gz BEQBLMKXEYXSDB-UHFFFAOYSA-N 2 0 315.461 3.037 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCC=C(C)C)CC1 ZINC001258095532 1106671393 /nfs/dbraw/zinc/67/13/93/1106671393.db2.gz HHXLUWFBUBFXHE-FQEVSTJZSA-N 2 0 319.537 3.413 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001258724513 1106929341 /nfs/dbraw/zinc/92/93/41/1106929341.db2.gz YKDPZYUBFPTZII-MRXNPFEDSA-N 2 0 302.462 3.386 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001258728105 1106934176 /nfs/dbraw/zinc/93/41/76/1106934176.db2.gz LHOMBOBQIXTILK-BHIYHBOVSA-N 2 0 306.494 3.021 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC001258903013 1107050172 /nfs/dbraw/zinc/05/01/72/1107050172.db2.gz KFYMIJJPTLQBAQ-MRXNPFEDSA-N 2 0 303.450 3.037 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001258902989 1107050718 /nfs/dbraw/zinc/05/07/18/1107050718.db2.gz JQXMUSNHMRWIRU-QGZVFWFLSA-N 2 0 317.477 3.427 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001263126970 1107955269 /nfs/dbraw/zinc/95/52/69/1107955269.db2.gz BPSGGFMRDJMYMN-OKZBNKHCSA-N 2 0 323.525 3.055 20 30 DGEDRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000278540783 214222899 /nfs/dbraw/zinc/22/28/99/214222899.db2.gz UXXVZSBCIDUQPO-CYBMUJFWSA-N 2 0 301.409 3.222 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000344378301 254264109 /nfs/dbraw/zinc/26/41/09/254264109.db2.gz NABFGMRUKXBFMG-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000595102827 400106319 /nfs/dbraw/zinc/10/63/19/400106319.db2.gz KADZENMFCHJWAJ-FQEVSTJZSA-N 2 0 309.457 3.257 20 30 DGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000595102830 400106960 /nfs/dbraw/zinc/10/69/60/400106960.db2.gz KADZENMFCHJWAJ-HXUWFJFHSA-N 2 0 309.457 3.257 20 30 DGEDRP C[C@H]([NH2+]CCSCc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000610804905 400309202 /nfs/dbraw/zinc/30/92/02/400309202.db2.gz YSXXUYHRLIWXCO-HNNXBMFYSA-N 2 0 317.502 3.111 20 30 DGEDRP CC[NH+]1CCC(C[NH2+][C@@H](CCC#N)c2ccc(OC)cc2)CC1 ZINC000578424883 400328555 /nfs/dbraw/zinc/32/85/55/400328555.db2.gz ICNHFKMSPBMDJS-IBGZPJMESA-N 2 0 315.461 3.362 20 30 DGEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602515399 400485130 /nfs/dbraw/zinc/48/51/30/400485130.db2.gz XJMUBGOAHKQDRW-UHFFFAOYSA-N 2 0 308.429 3.085 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000602515498 400485136 /nfs/dbraw/zinc/48/51/36/400485136.db2.gz WWZGBKMBLAHNPY-MSOLQXFVSA-N 2 0 321.509 3.330 20 30 DGEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCSCC#N)C2)CC1 ZINC000074989776 400551536 /nfs/dbraw/zinc/55/15/36/400551536.db2.gz UOTHOCWNWRPYKM-QGZVFWFLSA-N 2 0 309.523 3.077 20 30 DGEDRP CCc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000593518304 400870113 /nfs/dbraw/zinc/87/01/13/400870113.db2.gz YMJMYUJZQYYWHA-UHFFFAOYSA-N 2 0 320.440 3.014 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000090523834 401267410 /nfs/dbraw/zinc/26/74/10/401267410.db2.gz HOKBTNVYMJWDIA-FHWLQOOXSA-N 2 0 306.494 3.089 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000153009938 432374935 /nfs/dbraw/zinc/37/49/35/432374935.db2.gz QWRDYCYDMFHAKT-NYHFZMIOSA-N 2 0 320.502 3.115 20 30 DGEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008115 432387987 /nfs/dbraw/zinc/38/79/87/432387987.db2.gz RPDLHZGHYOXOFT-QZTJIDSGSA-N 2 0 315.461 3.332 20 30 DGEDRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000192946392 432432579 /nfs/dbraw/zinc/43/25/79/432432579.db2.gz OBYLQYVDSJCYSG-QGZVFWFLSA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751320 432530699 /nfs/dbraw/zinc/53/06/99/432530699.db2.gz QNQBKJGPQYFNHE-GDBMZVCRSA-N 2 0 315.436 3.440 20 30 DGEDRP C[N@@H+]1CCC[C@@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170803 432615311 /nfs/dbraw/zinc/61/53/11/432615311.db2.gz BHERZXDNKYHVEK-AEFFLSMTSA-N 2 0 302.849 3.108 20 30 DGEDRP [NH2+]=C(NCCCCCCC[NH+]1CCCC1)Nc1ccccc1 ZINC000264108454 432616102 /nfs/dbraw/zinc/61/61/02/432616102.db2.gz QAOQVEYEHRHECD-UHFFFAOYSA-N 2 0 302.466 3.460 20 30 DGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948495 432569475 /nfs/dbraw/zinc/56/94/75/432569475.db2.gz XWQGNOKRPHMAPZ-GASCZTMLSA-N 2 0 305.491 3.467 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000264136749 432618885 /nfs/dbraw/zinc/61/88/85/432618885.db2.gz ZXGVDYZGHTUMII-MRXNPFEDSA-N 2 0 302.466 3.150 20 30 DGEDRP C=CCSCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274954605 432723417 /nfs/dbraw/zinc/72/34/17/432723417.db2.gz VQDRDFLNSTUJTC-WMZOPIPTSA-N 2 0 304.503 3.406 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288709386 432896203 /nfs/dbraw/zinc/89/62/03/432896203.db2.gz KTKCMSIEEZLNPV-CYBMUJFWSA-N 2 0 324.419 3.346 20 30 DGEDRP C=C(C)COCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245667949 432853839 /nfs/dbraw/zinc/85/38/39/432853839.db2.gz GWBFNRBSWKFURJ-ACDBMABISA-N 2 0 314.473 3.364 20 30 DGEDRP CC1CC[NH+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288755185 432896390 /nfs/dbraw/zinc/89/63/90/432896390.db2.gz RLCPYLQMWAZYTB-UHFFFAOYSA-N 2 0 324.419 3.204 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290269266 433023083 /nfs/dbraw/zinc/02/30/83/433023083.db2.gz LHNKLVCYHBRASK-QGZVFWFLSA-N 2 0 305.466 3.247 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453366406 433124627 /nfs/dbraw/zinc/12/46/27/433124627.db2.gz QYDXNSSPCSLOTF-TUNPWDSISA-N 2 0 314.473 3.363 20 30 DGEDRP COc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1C#N ZINC000281661219 433339598 /nfs/dbraw/zinc/33/95/98/433339598.db2.gz KTMMWSFTMSJLMY-UHFFFAOYSA-N 2 0 315.461 3.313 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000181616507 289951527 /nfs/dbraw/zinc/95/15/27/289951527.db2.gz MXAPHMMMCURAHM-ZACQAIPSSA-N 2 0 315.461 3.098 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000414897085 433903871 /nfs/dbraw/zinc/90/38/71/433903871.db2.gz DGNYQMGZROCBBZ-UHFFFAOYSA-N 2 0 308.853 3.384 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422913259 434105853 /nfs/dbraw/zinc/10/58/53/434105853.db2.gz XZZBPVXAIDBJPT-AWEZNQCLSA-N 2 0 311.429 3.264 20 30 DGEDRP CSC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000353627407 434287025 /nfs/dbraw/zinc/28/70/25/434287025.db2.gz KFSMJEKSSUBUIH-ZDUSSCGKSA-N 2 0 321.465 3.175 20 30 DGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423545482 434483939 /nfs/dbraw/zinc/48/39/39/434483939.db2.gz CRCYLHXVHWHVPQ-QZTJIDSGSA-N 2 0 315.505 3.170 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578699 434495085 /nfs/dbraw/zinc/49/50/85/434495085.db2.gz UUKWIHXWJAKHHU-LJQANCHMSA-N 2 0 315.505 3.314 20 30 DGEDRP C[N@H+](CCCNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000403964490 434508557 /nfs/dbraw/zinc/50/85/57/434508557.db2.gz AEFDLGMAGBHRJL-UHFFFAOYSA-N 2 0 311.404 3.309 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000367198740 434543474 /nfs/dbraw/zinc/54/34/74/434543474.db2.gz FNGCUGYFYGFGAH-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459732741 434684043 /nfs/dbraw/zinc/68/40/43/434684043.db2.gz MUBHTZRZOSOSCG-MRXNPFEDSA-N 2 0 318.461 3.082 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000553305248 434884611 /nfs/dbraw/zinc/88/46/11/434884611.db2.gz LCOBBLYBEGURBR-FQEVSTJZSA-N 2 0 309.457 3.400 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000565331455 435277959 /nfs/dbraw/zinc/27/79/59/435277959.db2.gz HQQIMJFLGKBEJN-IEBWSBKVSA-N 2 0 300.446 3.168 20 30 DGEDRP C=CCOc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000480903924 435400631 /nfs/dbraw/zinc/40/06/31/435400631.db2.gz ATTCHAFFOQFJEA-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000570437250 435618468 /nfs/dbraw/zinc/61/84/68/435618468.db2.gz PLBZMXRPSHVPRH-IBGZPJMESA-N 2 0 314.473 3.415 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544080 436077041 /nfs/dbraw/zinc/07/70/41/436077041.db2.gz WKJMMTDRKAVNQE-RTBURBONSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658068479 436364450 /nfs/dbraw/zinc/36/44/50/436364450.db2.gz WUROLDZQVQGTLV-LJQANCHMSA-N 2 0 306.494 3.212 20 30 DGEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139524 436386952 /nfs/dbraw/zinc/38/69/52/436386952.db2.gz MRUHJYOSPVAMMW-WOJBJXKFSA-N 2 0 316.489 3.478 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449230727 534696466 /nfs/dbraw/zinc/69/64/66/534696466.db2.gz BGMXZINDQLJTLH-XLIONFOSSA-N 2 0 316.489 3.478 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346687118 526861299 /nfs/dbraw/zinc/86/12/99/526861299.db2.gz VNDBBWBFFQYCRS-MRXNPFEDSA-N 2 0 306.450 3.065 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH2+]CC)CC2)cc1OC ZINC000347020995 526866429 /nfs/dbraw/zinc/86/64/29/526866429.db2.gz NMHPIQKBDKWGTA-UHFFFAOYSA-N 2 0 318.461 3.082 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346856271 526873534 /nfs/dbraw/zinc/87/35/34/526873534.db2.gz VVCWTJRFWWRLFW-ZOBUZTSGSA-N 2 0 320.864 3.464 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357057607 526932308 /nfs/dbraw/zinc/93/23/08/526932308.db2.gz UMORAYPCHYQQEP-QGZVFWFLSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CC[C@H](CO)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353615729 527186011 /nfs/dbraw/zinc/18/60/11/527186011.db2.gz AIBPOOUCPAIQKW-HDYDNRTBSA-N 2 0 316.489 3.204 20 30 DGEDRP C[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214500 546155555 /nfs/dbraw/zinc/15/55/55/546155555.db2.gz FZRLTANXCOAQLP-BBRMVZONSA-N 2 0 310.363 3.129 20 30 DGEDRP C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214450 546155826 /nfs/dbraw/zinc/15/58/26/546155826.db2.gz FZRLTANXCOAQLP-CZUORRHYSA-N 2 0 310.363 3.129 20 30 DGEDRP C=CCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000668552658 547477466 /nfs/dbraw/zinc/47/74/66/547477466.db2.gz QLVQARVDZNZFGC-UHFFFAOYSA-N 2 0 306.494 3.498 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679045140 548822546 /nfs/dbraw/zinc/82/25/46/548822546.db2.gz SQTILFBNXWIJPU-WOJBJXKFSA-N 2 0 316.489 3.348 20 30 DGEDRP CCNC(NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)=[NH+]CC ZINC000727241509 576114920 /nfs/dbraw/zinc/11/49/20/576114920.db2.gz WSWURUAKHNEUET-GOSISDBHSA-N 2 0 316.493 3.035 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619157 618511801 /nfs/dbraw/zinc/51/18/01/618511801.db2.gz LCOLRAOWBFTLLD-YESZJQIVSA-N 2 0 315.461 3.363 20 30 DGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(C)CCCCO1 ZINC000902754250 619670858 /nfs/dbraw/zinc/67/08/58/619670858.db2.gz YVHDJGKQAWSCRE-YRXWBPOGSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]1(C)CCCCO1 ZINC000902754248 619670906 /nfs/dbraw/zinc/67/09/06/619670906.db2.gz YVHDJGKQAWSCRE-XWSJACJDSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@]1(C)CCCCO1 ZINC000903010297 619704183 /nfs/dbraw/zinc/70/41/83/619704183.db2.gz KDSBMCYWPSNXPB-TZOQOTQKSA-N 2 0 306.494 3.495 20 30 DGEDRP C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903108052 619718019 /nfs/dbraw/zinc/71/80/19/619718019.db2.gz LEUPVUGHBZSORI-INIZCTEOSA-N 2 0 315.461 3.362 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(Cl)c1 ZINC000903150761 619729234 /nfs/dbraw/zinc/72/92/34/619729234.db2.gz BRQBTOFTWVKPQU-IRXDYDNUSA-N 2 0 308.853 3.004 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453959 619779344 /nfs/dbraw/zinc/77/93/44/619779344.db2.gz QDRCUBFDGPJRHP-RDJZCZTQSA-N 2 0 303.837 3.176 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000903765119 619809451 /nfs/dbraw/zinc/80/94/51/619809451.db2.gz YJEHVWQGAGXDRM-KSZLIROESA-N 2 0 319.493 3.069 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000151109271 620423812 /nfs/dbraw/zinc/42/38/12/620423812.db2.gz YIQZXHPHIZKFIK-DLBZAZTESA-N 2 0 300.446 3.081 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000151109317 620423979 /nfs/dbraw/zinc/42/39/79/620423979.db2.gz YIQZXHPHIZKFIK-IRXDYDNUSA-N 2 0 300.446 3.081 20 30 DGEDRP C=CCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584308 621006397 /nfs/dbraw/zinc/00/63/97/621006397.db2.gz HKNPLTDADYAWPY-IBGZPJMESA-N 2 0 317.477 3.343 20 30 DGEDRP C=CCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600796 621007416 /nfs/dbraw/zinc/00/74/16/621007416.db2.gz XAOFLFLYVRVISR-LJQANCHMSA-N 2 0 317.477 3.341 20 30 DGEDRP C=CC(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858205998 621164786 /nfs/dbraw/zinc/16/47/86/621164786.db2.gz KZNXNFYFGFJNKD-UHFFFAOYSA-N 2 0 301.478 3.130 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000840810018 621220403 /nfs/dbraw/zinc/22/04/03/621220403.db2.gz ZRJQIXYTDBNIOQ-SJORKVTESA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@@H](CC#N)[NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@@H](C)CC#N ZINC000859163348 621256169 /nfs/dbraw/zinc/25/61/69/621256169.db2.gz IROJGTYIHAJQQY-HOTGVXAUSA-N 2 0 308.546 3.163 20 30 DGEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862551400 621600872 /nfs/dbraw/zinc/60/08/72/621600872.db2.gz ULIHBUDSNJODIC-QGZVFWFLSA-N 2 0 308.510 3.294 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765011438 622239703 /nfs/dbraw/zinc/23/97/03/622239703.db2.gz MPGNBRYALABVBV-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP N#Cc1cnccc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156147 622837600 /nfs/dbraw/zinc/83/76/00/622837600.db2.gz FLSXAORLVLIXLN-BEFAXECRSA-N 2 0 312.461 3.073 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000779158206 623736321 /nfs/dbraw/zinc/73/63/21/623736321.db2.gz MAQMUPMJIPGKJK-UHFFFAOYSA-N 2 0 320.864 3.126 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877141617 623805091 /nfs/dbraw/zinc/80/50/91/623805091.db2.gz BBQVHXCFAQEXGP-ZDUSSCGKSA-N 2 0 308.857 3.207 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131188209 625962522 /nfs/dbraw/zinc/96/25/22/625962522.db2.gz QPZAZJSSTWBBKN-QGZVFWFLSA-N 2 0 314.473 3.470 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000883194686 625965703 /nfs/dbraw/zinc/96/57/03/625965703.db2.gz ALZFMZMZWOTJTC-RTBURBONSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1Cc2ccccc2O1 ZINC000883234204 626618427 /nfs/dbraw/zinc/61/84/27/626618427.db2.gz YVAAAECDFTUUEE-ZNWBIBPKSA-N 2 0 314.473 3.255 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738932 626944094 /nfs/dbraw/zinc/94/40/94/626944094.db2.gz PTCWNZXVBDKOPR-UHFFFAOYSA-N 2 0 322.452 3.392 20 30 DGEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000887135019 627228399 /nfs/dbraw/zinc/22/83/99/627228399.db2.gz UXIRLAKYKVSMRK-MRXNPFEDSA-N 2 0 300.450 3.312 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCCCCCC[NH+](C)C)c1 ZINC000104180993 627412784 /nfs/dbraw/zinc/41/27/84/627412784.db2.gz LUCSCBRBSSFIHV-UHFFFAOYSA-N 2 0 304.482 3.488 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810234 628298829 /nfs/dbraw/zinc/29/88/29/628298829.db2.gz RYOKBFIORWJYNC-KRWDZBQOSA-N 2 0 315.505 3.439 20 30 DGEDRP C#CCSCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000823905223 628609167 /nfs/dbraw/zinc/60/91/67/628609167.db2.gz TTXGIBIMCWJNPX-KRWDZBQOSA-N 2 0 316.514 3.038 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824914775 628705342 /nfs/dbraw/zinc/70/53/42/628705342.db2.gz YZEKNKPGLQYUBR-UHFFFAOYSA-N 2 0 302.462 3.299 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000834904649 629804907 /nfs/dbraw/zinc/80/49/07/629804907.db2.gz ZZSHKGNXDGTQRL-QGZVFWFLSA-N 2 0 322.452 3.459 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000840810016 630360664 /nfs/dbraw/zinc/36/06/64/630360664.db2.gz ZRJQIXYTDBNIOQ-IRXDYDNUSA-N 2 0 300.446 3.081 20 30 DGEDRP C=C[C@@H](C)O[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844622892 630744119 /nfs/dbraw/zinc/74/41/19/630744119.db2.gz CRZJXWKHZQHVEM-OAHLLOKOSA-N 2 0 301.434 3.142 20 30 DGEDRP C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000848923068 631788652 /nfs/dbraw/zinc/78/86/52/631788652.db2.gz DTVUCLRRPYTHEW-GOSISDBHSA-N 2 0 312.457 3.006 20 30 DGEDRP CCCCCCCCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022887 631809102 /nfs/dbraw/zinc/80/91/02/631809102.db2.gz LOKSUIQSNKYHMF-UHFFFAOYSA-N 2 0 308.514 3.335 20 30 DGEDRP CCC(CC)[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+](C)C ZINC000849055693 631821484 /nfs/dbraw/zinc/82/14/84/631821484.db2.gz YWKLHYHISIBXCA-SFHVURJKSA-N 2 0 318.509 3.060 20 30 DGEDRP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000186889998 660580542 /nfs/dbraw/zinc/58/05/42/660580542.db2.gz INWFVRNBIYKQRU-LJQANCHMSA-N 2 0 322.456 3.324 20 30 DGEDRP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793540369 661043590 /nfs/dbraw/zinc/04/35/90/661043590.db2.gz JLPGKDKICQROAW-MSOLQXFVSA-N 2 0 307.526 3.270 20 30 DGEDRP CCNC(NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)=[NH+]CC ZINC000303361669 657530956 /nfs/dbraw/zinc/53/09/56/657530956.db2.gz CMJXHHXWKSJGQX-INIZCTEOSA-N 2 0 316.493 3.136 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303704389 657557292 /nfs/dbraw/zinc/55/72/92/657557292.db2.gz KDVIOTZURNNYEV-UHFFFAOYSA-N 2 0 304.482 3.126 20 30 DGEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)CCC2 ZINC000303790768 657563519 /nfs/dbraw/zinc/56/35/19/657563519.db2.gz WUNKLRSQNKYEFV-UHFFFAOYSA-N 2 0 314.477 3.168 20 30 DGEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303885334 657571795 /nfs/dbraw/zinc/57/17/95/657571795.db2.gz JSTLPBKSNKJIDA-MRXNPFEDSA-N 2 0 316.493 3.073 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000303891274 657573554 /nfs/dbraw/zinc/57/35/54/657573554.db2.gz QNSFBYALFBNNMO-OAHLLOKOSA-N 2 0 302.466 3.098 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000303888539 657573689 /nfs/dbraw/zinc/57/36/89/657573689.db2.gz LMUSREKPQNRHKW-JKSUJKDBSA-N 2 0 302.466 3.293 20 30 DGEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303900857 657576810 /nfs/dbraw/zinc/57/68/10/657576810.db2.gz XAOTYXAHMMFSMW-DLBZAZTESA-N 2 0 310.530 3.226 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000303902834 657577578 /nfs/dbraw/zinc/57/75/78/657577578.db2.gz UECCAWRZMGWAKS-IRXDYDNUSA-N 2 0 316.493 3.398 20 30 DGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000303910697 657577966 /nfs/dbraw/zinc/57/79/66/657577966.db2.gz ZCXHZDRIUFYYSM-GJZGRUSLSA-N 2 0 314.477 3.022 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303908580 657578958 /nfs/dbraw/zinc/57/89/58/657578958.db2.gz XQFNQFUYVHLJHD-HNNXBMFYSA-N 2 0 302.466 3.269 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303983373 657701943 /nfs/dbraw/zinc/70/19/43/657701943.db2.gz RECRROKEZBOSLU-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP N#CC1(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCCCC1 ZINC001580037939 1192004086 /nfs/dbraw/zinc/00/40/86/1192004086.db2.gz AXVHNEIABROOAU-ZWKOTPCHSA-N 2 0 319.493 3.069 20 30 DGEDRP COc1cc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001474647419 1183954389 /nfs/dbraw/zinc/95/43/89/1183954389.db2.gz PFHRMDONBXPVNK-YJBOKZPZSA-N 2 0 315.461 3.119 20 30 DGEDRP C=C1CCC(C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001474702730 1183964331 /nfs/dbraw/zinc/96/43/31/1183964331.db2.gz VGZLVPIASJGXTA-UHFFFAOYSA-N 2 0 306.494 3.356 20 30 DGEDRP C=C(C)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001646517279 1195232562 /nfs/dbraw/zinc/23/25/62/1195232562.db2.gz YZGXYOFGHMWIOY-CALCHBBNSA-N 2 0 302.462 3.304 20 30 DGEDRP C=CC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001658491852 1196264980 /nfs/dbraw/zinc/26/49/80/1196264980.db2.gz HTLDBOYPJFTYOR-UHFFFAOYSA-N 2 0 302.462 3.307 20 30 DGEDRP C=CCOCCC[NH2+][C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001659674860 1196405470 /nfs/dbraw/zinc/40/54/70/1196405470.db2.gz XOVJNWMOFYCKAE-IEBWSBKVSA-N 2 0 302.462 3.222 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001659707186 1196407303 /nfs/dbraw/zinc/40/73/03/1196407303.db2.gz KAYFFZXXYQZPBC-IBGZPJMESA-N 2 0 311.473 3.339 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000303908292 1199601283 /nfs/dbraw/zinc/60/12/83/1199601283.db2.gz XLACDBICZFRAPX-UHFFFAOYSA-N 2 0 302.466 3.234 20 30 DGEDRP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754623959 1200401876 /nfs/dbraw/zinc/40/18/76/1200401876.db2.gz QMYQHUVATTWUJO-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717414583 1203639292 /nfs/dbraw/zinc/63/92/92/1203639292.db2.gz DEJGSCOETQRBGD-HOTGVXAUSA-N 2 0 323.525 3.088 20 30 DGEDRP CCCCCCCCC[C@@H](C)[NH2+]CCOCCOCC[NH3+] ZINC001246284412 1104473433 /nfs/dbraw/zinc/47/34/33/1104473433.db2.gz MXDBVFGZSZSANZ-QGZVFWFLSA-N 2 0 302.503 3.097 20 30 DGEDRP C=CCCCCCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001209436012 1081752064 /nfs/dbraw/zinc/75/20/64/1081752064.db2.gz MGDHLZPQGPJUPK-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP C=CCOc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001648882508 1081953407 /nfs/dbraw/zinc/95/34/07/1081953407.db2.gz RWSMQJMAFLJHLZ-QGZVFWFLSA-N 2 0 302.462 3.463 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]CC23CC[NH+](CC2)CC3)CC1 ZINC001170366949 1082353891 /nfs/dbraw/zinc/35/38/91/1082353891.db2.gz BKHPXNBRLMCABP-UHFFFAOYSA-N 2 0 323.484 3.466 20 30 DGEDRP CC[NH+]1C[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398102 1082361002 /nfs/dbraw/zinc/36/10/02/1082361002.db2.gz LUXZBBNGIJVPAW-KHQYNDFOSA-N 2 0 323.484 3.274 20 30 DGEDRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]2C1 ZINC001170398101 1082361724 /nfs/dbraw/zinc/36/17/24/1082361724.db2.gz LUXZBBNGIJVPAW-IGBVOLGGSA-N 2 0 323.484 3.274 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267010468 1082428729 /nfs/dbraw/zinc/42/87/29/1082428729.db2.gz XQZJQSIJPAHSHR-ROUUACIJSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420069 1082903577 /nfs/dbraw/zinc/90/35/77/1082903577.db2.gz MHVQTCQTYZPDHH-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420066 1082904024 /nfs/dbraw/zinc/90/40/24/1082904024.db2.gz MHVQTCQTYZPDHH-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170751825 1083292006 /nfs/dbraw/zinc/29/20/06/1083292006.db2.gz VYPTWPSPEVBGAK-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029978 1086453099 /nfs/dbraw/zinc/45/30/99/1086453099.db2.gz LFPWRMKJGOVEML-ROUUACIJSA-N 2 0 323.525 3.070 20 30 DGEDRP CCCCCCCCCCN(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161226519 1089158058 /nfs/dbraw/zinc/15/80/58/1089158058.db2.gz JRNGXENWEFDLOA-KRWDZBQOSA-N 2 0 313.530 3.432 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612258 1089185518 /nfs/dbraw/zinc/18/55/18/1089185518.db2.gz RMILWQZBRQCNIK-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C[C@H](Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)c1cccc(C#N)c1 ZINC001156873081 1089726804 /nfs/dbraw/zinc/72/68/04/1089726804.db2.gz BDFZMXWEXDJLDZ-AWEZNQCLSA-N 2 0 321.428 3.054 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112963 1089827377 /nfs/dbraw/zinc/82/73/77/1089827377.db2.gz DLTGFEGDOLHKCO-QGZVFWFLSA-N 2 0 313.530 3.124 20 30 DGEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164490785 1090432531 /nfs/dbraw/zinc/43/25/31/1090432531.db2.gz ABKQUXSEPJTBFZ-GUDVDZBRSA-N 2 0 312.533 3.325 20 30 DGEDRP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205110328 1091105628 /nfs/dbraw/zinc/10/56/28/1091105628.db2.gz SIJPMWJYQDNBOQ-OAQYLSRUSA-N 2 0 304.437 3.400 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)C[C@H]1C[NH3+] ZINC001205145821 1091112314 /nfs/dbraw/zinc/11/23/14/1091112314.db2.gz JDZFVVBDWAJQOJ-LAUBAEHRSA-N 2 0 304.437 3.113 20 30 DGEDRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001205273861 1091160709 /nfs/dbraw/zinc/16/07/09/1091160709.db2.gz QKKPDENNRMMHKA-HXUWFJFHSA-N 2 0 320.440 3.324 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617877 1091284818 /nfs/dbraw/zinc/28/48/18/1091284818.db2.gz OTGUKNBXSQNRLU-SJORKVTESA-N 2 0 302.462 3.448 20 30 DGEDRP CCCCCCCCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206535539 1091662320 /nfs/dbraw/zinc/66/23/20/1091662320.db2.gz MGKBQKWKJCNBPZ-YJBOKZPZSA-N 2 0 324.534 3.403 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206591561 1091681020 /nfs/dbraw/zinc/68/10/20/1091681020.db2.gz SVHWXOGUTGJYQZ-SFHVURJKSA-N 2 0 300.446 3.051 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)ccc3Cl)C2)CC1 ZINC001140603084 1091928212 /nfs/dbraw/zinc/92/82/12/1091928212.db2.gz ZRLNWMFJSBWESO-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169143303 1092559229 /nfs/dbraw/zinc/55/92/29/1092559229.db2.gz ZFTWVMYPXXURJK-AERCQKQUSA-N 2 0 323.484 3.438 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001169155212 1092570468 /nfs/dbraw/zinc/57/04/68/1092570468.db2.gz ZSNLWKROLCPHIN-AERCQKQUSA-N 2 0 308.469 3.375 20 30 DGEDRP C=CCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001209161642 1092678175 /nfs/dbraw/zinc/67/81/75/1092678175.db2.gz OBDHVUQTUWLDMB-KRWDZBQOSA-N 2 0 318.461 3.301 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744081 1093267539 /nfs/dbraw/zinc/26/75/39/1093267539.db2.gz OLNRUNHJEDLNLV-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135076677 1094391390 /nfs/dbraw/zinc/39/13/90/1094391390.db2.gz FHAMWHYPPFJXJS-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135705734 1094646961 /nfs/dbraw/zinc/64/69/61/1094646961.db2.gz ILQOGOPSABGLOR-SJORKVTESA-N 2 0 313.530 3.172 20 30 DGEDRP CCCCCCCCCC[C@H](C)[NH2+]CCOCCOCC[NH3+] ZINC001246283385 1095161591 /nfs/dbraw/zinc/16/15/91/1095161591.db2.gz INLBLFGZTYOCQE-SFHVURJKSA-N 2 0 316.530 3.487 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171121287 1095435241 /nfs/dbraw/zinc/43/52/41/1095435241.db2.gz RUABAZYDUUKHFH-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001222265454 1095520356 /nfs/dbraw/zinc/52/03/56/1095520356.db2.gz SXCNGXFFKGAPFY-LJQANCHMSA-N 2 0 300.446 3.086 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001171192927 1095682829 /nfs/dbraw/zinc/68/28/29/1095682829.db2.gz QSWKWWDOPIRBDG-INIZCTEOSA-N 2 0 320.440 3.143 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623802 1095697748 /nfs/dbraw/zinc/69/77/48/1095697748.db2.gz MSKVARAGJOHTEM-CALCHBBNSA-N 2 0 300.446 3.073 20 30 DGEDRP Cc1cnccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231404 1095865001 /nfs/dbraw/zinc/86/50/01/1095865001.db2.gz JDZIJDNYGQSBCI-APWZRJJASA-N 2 0 321.424 3.346 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001171230433 1095868495 /nfs/dbraw/zinc/86/84/95/1095868495.db2.gz DKCBKRIFPZYISB-KRWDZBQOSA-N 2 0 320.440 3.015 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237691 1095889363 /nfs/dbraw/zinc/88/93/63/1095889363.db2.gz RWFQESHXFMXMSE-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171245658 1095913436 /nfs/dbraw/zinc/91/34/36/1095913436.db2.gz ALXVYUWAIBHMIR-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702680 1096085076 /nfs/dbraw/zinc/08/50/76/1096085076.db2.gz ZGVOUZNENFGQTH-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001172294744 1097108102 /nfs/dbraw/zinc/10/81/02/1097108102.db2.gz LQAAIQPXUHSZCT-MRXNPFEDSA-N 2 0 307.441 3.341 20 30 DGEDRP CC[NH+](CC)C1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC001173106800 1097330714 /nfs/dbraw/zinc/33/07/14/1097330714.db2.gz DCJJWYSKVVDYRV-UHFFFAOYSA-N 2 0 315.461 3.180 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176759585 1098433966 /nfs/dbraw/zinc/43/39/66/1098433966.db2.gz KSXRGNZQJSPBPK-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427791 1099018493 /nfs/dbraw/zinc/01/84/93/1099018493.db2.gz NNMQZUXYCWBJCW-GJZGRUSLSA-N 2 0 317.864 3.423 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235704994 1099138198 /nfs/dbraw/zinc/13/81/98/1099138198.db2.gz DOAIKEGMQFYZBR-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP CC1([NH3+])CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001235749819 1099163049 /nfs/dbraw/zinc/16/30/49/1099163049.db2.gz XJIPYAMMRGHOQQ-UHFFFAOYSA-N 2 0 304.437 3.400 20 30 DGEDRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001235925368 1099261299 /nfs/dbraw/zinc/26/12/99/1099261299.db2.gz JNEFQWKOVNNQJK-KRWDZBQOSA-N 2 0 310.466 3.461 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352749 1099380276 /nfs/dbraw/zinc/38/02/76/1099380276.db2.gz UXBXDIZZOLVSCK-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375494 1099562976 /nfs/dbraw/zinc/56/29/76/1099562976.db2.gz YWYLTWDVKRWHTR-INIZCTEOSA-N 2 0 315.436 3.442 20 30 DGEDRP C=CCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236942921 1099882516 /nfs/dbraw/zinc/88/25/16/1099882516.db2.gz OJCYBIKTBYYMMM-UHFFFAOYSA-N 2 0 319.468 3.366 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)c(C#N)c3)C2)CC1 ZINC001238193111 1100385566 /nfs/dbraw/zinc/38/55/66/1100385566.db2.gz YFLCPMRZPWODAI-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240355021 1100955849 /nfs/dbraw/zinc/95/58/49/1100955849.db2.gz AMKNBDOFSWLUTB-FQEVSTJZSA-N 2 0 321.399 3.476 20 30 DGEDRP CC[NH+](CC)Cc1ccncc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360366 1100959222 /nfs/dbraw/zinc/95/92/22/1100959222.db2.gz BHVKXEZSOWEGES-UHFFFAOYSA-N 2 0 320.440 3.149 20 30 DGEDRP N#Cc1cc(F)cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001241658789 1101613661 /nfs/dbraw/zinc/61/36/61/1101613661.db2.gz LLPYRNATJHGCCP-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C=CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201328070 1102556214 /nfs/dbraw/zinc/55/62/14/1102556214.db2.gz VOTNLDADECTBFI-UHFFFAOYSA-N 2 0 323.525 3.044 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001137119270 1103993292 /nfs/dbraw/zinc/99/32/92/1103993292.db2.gz CCMMBCOMMNFYBA-UHFFFAOYSA-N 2 0 315.461 3.141 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001245980086 1104346079 /nfs/dbraw/zinc/34/60/79/1104346079.db2.gz ZNEODVCPJALCPK-MKXGPGLRSA-N 2 0 310.526 3.323 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]CC1CC2(C1)CC[NH2+]CC2 ZINC001245984611 1104346884 /nfs/dbraw/zinc/34/68/84/1104346884.db2.gz ZAJBJVOTUUSFKS-SFHVURJKSA-N 2 0 310.526 3.467 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246055948 1104360620 /nfs/dbraw/zinc/36/06/20/1104360620.db2.gz NAGKKTZRZPRPBB-RBUKOAKNSA-N 2 0 308.510 3.338 20 30 DGEDRP C[C@H]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104092 1104388510 /nfs/dbraw/zinc/38/85/10/1104388510.db2.gz JETJEPCXTFBBDH-VHBXLISGSA-N 2 0 311.473 3.368 20 30 DGEDRP C=CCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001274964639 1104557719 /nfs/dbraw/zinc/55/77/19/1104557719.db2.gz RWNRRRKMSCAUKP-UHFFFAOYSA-N 2 0 315.461 3.041 20 30 DGEDRP C=CCCCC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001274974020 1104564716 /nfs/dbraw/zinc/56/47/16/1104564716.db2.gz BUUMGSRMORWXPA-IBGZPJMESA-N 2 0 307.526 3.082 20 30 DGEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246510670 1104570088 /nfs/dbraw/zinc/57/00/88/1104570088.db2.gz FYTPFUTVFCEFKS-IRXDYDNUSA-N 2 0 313.530 3.349 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246642504 1104642387 /nfs/dbraw/zinc/64/23/87/1104642387.db2.gz BVBBPJCXDOPPQD-OXQOHEQNSA-N 2 0 311.473 3.343 20 30 DGEDRP N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246663363 1104654064 /nfs/dbraw/zinc/65/40/64/1104654064.db2.gz JQDUAKBADOEDNL-YNIZLOQISA-N 2 0 309.457 3.204 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246665806 1104654577 /nfs/dbraw/zinc/65/45/77/1104654577.db2.gz QNEGSTMTGVWYDB-JXFKEZNVSA-N 2 0 311.473 3.343 20 30 DGEDRP CC1(C)C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246805561 1104683703 /nfs/dbraw/zinc/68/37/03/1104683703.db2.gz KHECJMNGHGVDSH-LJQANCHMSA-N 2 0 311.473 3.343 20 30 DGEDRP CC[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811812 1104687063 /nfs/dbraw/zinc/68/70/63/1104687063.db2.gz RIKCVQZKSQEJGV-UXHICEINSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246870939 1104713765 /nfs/dbraw/zinc/71/37/65/1104713765.db2.gz LWBLKESOOSNOJH-MOPGFXCFSA-N 2 0 309.542 3.480 20 30 DGEDRP C=CCCCCCC[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001276042272 1105002993 /nfs/dbraw/zinc/00/29/93/1105002993.db2.gz YEIKYMPYZCFVOS-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCCCCCC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276041953 1105004718 /nfs/dbraw/zinc/00/47/18/1105004718.db2.gz RZCNFTYNOURPNC-HXUWFJFHSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253252594 1105912225 /nfs/dbraw/zinc/91/22/25/1105912225.db2.gz YUXFKQXMPLRUQX-IBGZPJMESA-N 2 0 308.510 3.480 20 30 DGEDRP C[C@H](C[NH3+])C[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349908 1106057961 /nfs/dbraw/zinc/05/79/61/1106057961.db2.gz VNTUNYULBZILJM-RWBZWWBESA-N 2 0 303.425 3.056 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001254647156 1106121600 /nfs/dbraw/zinc/12/16/00/1106121600.db2.gz DZRYABCZOZHIRO-DOTOQJQBSA-N 2 0 317.864 3.368 20 30 DGEDRP CC[C@H](CC#N)[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162632 1106195236 /nfs/dbraw/zinc/19/52/36/1106195236.db2.gz VACUZUAERSBGCC-KZNAEPCWSA-N 2 0 315.461 3.459 20 30 DGEDRP CC(C)([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC001256847944 1106496414 /nfs/dbraw/zinc/49/64/14/1106496414.db2.gz GSMBUYMACXZZCU-UHFFFAOYSA-N 2 0 320.440 3.447 20 30 DGEDRP C[C@@]12CC3([NH3+])CC([NH2+]C4CCC(C#N)CC4)(C1)C[C@](C)(C3)C2 ZINC001256959827 1106516217 /nfs/dbraw/zinc/51/62/17/1106516217.db2.gz TZTWDVGRXGDOSZ-RPCQKQEUSA-N 2 0 301.478 3.489 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258172264 1106686926 /nfs/dbraw/zinc/68/69/26/1106686926.db2.gz WUCPFUPNCGKOHL-PMOLBWCYSA-N 2 0 319.537 3.103 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001258902988 1107051348 /nfs/dbraw/zinc/05/13/48/1107051348.db2.gz JQXMUSNHMRWIRU-KRWDZBQOSA-N 2 0 317.477 3.427 20 30 DGEDRP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001265664937 1108957494 /nfs/dbraw/zinc/95/74/94/1108957494.db2.gz ZOFOSJNEQOWMPO-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000066971879 432024490 /nfs/dbraw/zinc/02/44/90/432024490.db2.gz MLSCSMOZPUNJCA-UHFFFAOYSA-N 2 0 323.440 3.179 20 30 DGEDRP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000174403077 198331097 /nfs/dbraw/zinc/33/10/97/198331097.db2.gz IJQAZNIPENIQCL-KRWDZBQOSA-N 2 0 303.450 3.023 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180179659 432079843 /nfs/dbraw/zinc/07/98/43/432079843.db2.gz KHLYYCYRZUPELZ-SLFFLAALSA-N 2 0 314.473 3.079 20 30 DGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442786389 239122932 /nfs/dbraw/zinc/12/29/32/239122932.db2.gz XGJICVFROIMBEF-HHUCQEJWSA-N 2 0 311.473 3.425 20 30 DGEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000080374331 283897034 /nfs/dbraw/zinc/89/70/34/283897034.db2.gz PXUANRXLBOBHDE-UHFFFAOYSA-N 2 0 305.491 3.467 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000609137232 400141893 /nfs/dbraw/zinc/14/18/93/400141893.db2.gz XSOCQWKJOSQPFV-UHFFFAOYSA-N 2 0 324.472 3.363 20 30 DGEDRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1C#N ZINC000600788434 400155041 /nfs/dbraw/zinc/15/50/41/400155041.db2.gz LCNQCMWYYLKLRJ-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000595895601 400289526 /nfs/dbraw/zinc/28/95/26/400289526.db2.gz QAIRQNZSHUCUFQ-UHFFFAOYSA-N 2 0 323.362 3.153 20 30 DGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000596097492 400317065 /nfs/dbraw/zinc/31/70/65/400317065.db2.gz YCAOIVITJQTIEY-PXNSSMCTSA-N 2 0 309.457 3.257 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575287 400501790 /nfs/dbraw/zinc/50/17/90/400501790.db2.gz SBUYLFQACSDPKF-QZTJIDSGSA-N 2 0 321.509 3.043 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000602515542 400484725 /nfs/dbraw/zinc/48/47/25/400484725.db2.gz YBTYQJJWDIIYIU-MSOLQXFVSA-N 2 0 321.509 3.187 20 30 DGEDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132021 400566084 /nfs/dbraw/zinc/56/60/84/400566084.db2.gz FRLBBUXXLBIXIG-IEBWSBKVSA-N 2 0 309.457 3.158 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000603111538 400643480 /nfs/dbraw/zinc/64/34/80/400643480.db2.gz RKUVZHFCSFNGFS-UHFFFAOYSA-N 2 0 303.425 3.395 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H](C)C1 ZINC000246869763 432175142 /nfs/dbraw/zinc/17/51/42/432175142.db2.gz CMKZGPHQIKXLKR-YJBOKZPZSA-N 2 0 317.502 3.111 20 30 DGEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC000176624928 228316657 /nfs/dbraw/zinc/31/66/57/228316657.db2.gz NIKXYGDOVDXYMN-OXJNMPFZSA-N 2 0 305.425 3.311 20 30 DGEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000191396338 432260460 /nfs/dbraw/zinc/26/04/60/432260460.db2.gz XKJFPHOLDFBZDU-UHFFFAOYSA-N 2 0 315.505 3.091 20 30 DGEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442713372 279110907 /nfs/dbraw/zinc/11/09/07/279110907.db2.gz WJVQJRWOWXWPQI-WMZOPIPTSA-N 2 0 315.461 3.189 20 30 DGEDRP CN(CCC#N)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000072786110 431347504 /nfs/dbraw/zinc/34/75/04/431347504.db2.gz KSFYSMSWCDIZOH-UHFFFAOYSA-N 2 0 314.477 3.002 20 30 DGEDRP C#CCCOc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271035691 432318258 /nfs/dbraw/zinc/31/82/58/432318258.db2.gz JRGYCRLBAHRMCP-UHFFFAOYSA-N 2 0 314.473 3.393 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261796186 432451277 /nfs/dbraw/zinc/45/12/77/432451277.db2.gz VJAOIZQZPHCAFD-CTNGQTDRSA-N 2 0 322.452 3.426 20 30 DGEDRP C=CCCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000193323683 432464948 /nfs/dbraw/zinc/46/49/48/432464948.db2.gz KJWYRJROJXBOLN-RTBURBONSA-N 2 0 307.526 3.223 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCSCC#N ZINC000274845651 432714744 /nfs/dbraw/zinc/71/47/44/432714744.db2.gz POQAADIQWBAKOD-SJLPKXTDSA-N 2 0 317.502 3.133 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000178699349 432768584 /nfs/dbraw/zinc/76/85/84/432768584.db2.gz ASOONNXXJRKFCQ-CVEARBPZSA-N 2 0 311.429 3.190 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)CCC#N ZINC000276307261 432794906 /nfs/dbraw/zinc/79/49/06/432794906.db2.gz LILOVXQHVDFMGK-INIZCTEOSA-N 2 0 300.450 3.312 20 30 DGEDRP C#CCC[N@@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000299220014 433349485 /nfs/dbraw/zinc/34/94/85/433349485.db2.gz JQCLHYGHXNKLJG-UHFFFAOYSA-N 2 0 311.429 3.197 20 30 DGEDRP CC[NH+]1CCC(N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426369124 433477471 /nfs/dbraw/zinc/47/74/71/433477471.db2.gz DGGNKWBASUYPHM-UHFFFAOYSA-N 2 0 324.390 3.473 20 30 DGEDRP N#Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000421344981 433489205 /nfs/dbraw/zinc/48/92/05/433489205.db2.gz VRQFHRUJQVETPY-UHFFFAOYSA-N 2 0 324.403 3.099 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449546976 433752011 /nfs/dbraw/zinc/75/20/11/433752011.db2.gz GDRBJMQCXFMDPD-YSHGAJCASA-N 2 0 306.494 3.353 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377628152 433932688 /nfs/dbraw/zinc/93/26/88/433932688.db2.gz OEBJJJSKISSQQD-QTXGHNMQSA-N 2 0 313.445 3.034 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414856171 433886377 /nfs/dbraw/zinc/88/63/77/433886377.db2.gz NZXBNNMWCRGRCE-HIFRSBDPSA-N 2 0 308.853 3.383 20 30 DGEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304809936 434018034 /nfs/dbraw/zinc/01/80/34/434018034.db2.gz VZTMGQOKXPTGEO-GOEBONIOSA-N 2 0 322.522 3.081 20 30 DGEDRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422998303 434158844 /nfs/dbraw/zinc/15/88/44/434158844.db2.gz WIZICBPNGKYGLJ-ZLPCBKJTSA-N 2 0 315.461 3.355 20 30 DGEDRP C=CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000286119551 434169800 /nfs/dbraw/zinc/16/98/00/434169800.db2.gz NONMDYYDOUBSBE-OKZBNKHCSA-N 2 0 318.461 3.254 20 30 DGEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971931 434508631 /nfs/dbraw/zinc/50/86/31/434508631.db2.gz BWJPUROYPMEHRZ-KXBFYZLASA-N 2 0 323.415 3.450 20 30 DGEDRP N#CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000366892128 434528989 /nfs/dbraw/zinc/52/89/89/434528989.db2.gz YLIGWVOGUOAOSK-CEXWTWQISA-N 2 0 309.457 3.180 20 30 DGEDRP C=CCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000563215998 435266887 /nfs/dbraw/zinc/26/68/87/435266887.db2.gz IKNBOZXJZOGEOO-MRXNPFEDSA-N 2 0 308.491 3.013 20 30 DGEDRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000535784810 435353685 /nfs/dbraw/zinc/35/36/85/435353685.db2.gz LORHAUMZQFJZKP-QHGAOEGBSA-N 2 0 311.473 3.322 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000570437251 435618983 /nfs/dbraw/zinc/61/89/83/435618983.db2.gz PLBZMXRPSHVPRH-LJQANCHMSA-N 2 0 314.473 3.415 20 30 DGEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC#Cc1cccc(Cl)c1)C2 ZINC000660658966 435844114 /nfs/dbraw/zinc/84/41/14/435844114.db2.gz IGHAFHPQIZHMJH-GOSISDBHSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000665236983 435925550 /nfs/dbraw/zinc/92/55/50/435925550.db2.gz XSWZQLKLQJACBE-FGTMMUONSA-N 2 0 306.494 3.260 20 30 DGEDRP C=CCc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(OC)c1O ZINC000650711224 435999087 /nfs/dbraw/zinc/99/90/87/435999087.db2.gz MIEXGIBFSOIXHC-YOEHRIQHSA-N 2 0 318.461 3.079 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647481007 436062766 /nfs/dbraw/zinc/06/27/66/436062766.db2.gz OSAJZUJVRCRWDW-IEBWSBKVSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543379 436078232 /nfs/dbraw/zinc/07/82/32/436078232.db2.gz MANQONFAMAPPOT-ROUUACIJSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789756 334097512 /nfs/dbraw/zinc/09/75/12/334097512.db2.gz YVQNMBCVSXNRDV-QZTJIDSGSA-N 2 0 300.446 3.073 20 30 DGEDRP C=C(C)COCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701563 340251081 /nfs/dbraw/zinc/25/10/81/340251081.db2.gz XDBHDFVRSUDSNW-IEBWSBKVSA-N 2 0 302.462 3.079 20 30 DGEDRP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1C#N ZINC000415051961 533903536 /nfs/dbraw/zinc/90/35/36/533903536.db2.gz KGHMRIXFNKVKFK-GOSISDBHSA-N 2 0 309.413 3.137 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1OC ZINC000346683590 526865182 /nfs/dbraw/zinc/86/51/82/526865182.db2.gz PFRPFDMMCAEKRR-UHFFFAOYSA-N 2 0 318.461 3.082 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357059180 526897187 /nfs/dbraw/zinc/89/71/87/526897187.db2.gz WMHWTQWFBQDHFY-SFHVURJKSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357059178 526898909 /nfs/dbraw/zinc/89/89/09/526898909.db2.gz WMHWTQWFBQDHFY-GOSISDBHSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCSCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000134123824 527003538 /nfs/dbraw/zinc/00/35/38/527003538.db2.gz YCCFWDWWQPUGEM-UHFFFAOYSA-N 2 0 304.503 3.202 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278050549 528173489 /nfs/dbraw/zinc/17/34/89/528173489.db2.gz SXOGERKQBDDKJA-UHFFFAOYSA-N 2 0 314.477 3.411 20 30 DGEDRP C=CCC1([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000668552013 547477859 /nfs/dbraw/zinc/47/78/59/547477859.db2.gz BTCLCOWQGZZHRF-IBGZPJMESA-N 2 0 314.473 3.366 20 30 DGEDRP CN(c1ccccc1C=[NH+]NC1CCCC1)C1CC[NH+](C)CC1 ZINC000727651701 576136159 /nfs/dbraw/zinc/13/61/59/576136159.db2.gz MFKHESSOAAURAN-UHFFFAOYSA-N 2 0 314.477 3.083 20 30 DGEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926675404 618084381 /nfs/dbraw/zinc/08/43/81/618084381.db2.gz HZNPQFOJSCKYDM-BDZKXGRMSA-N 2 0 306.494 3.353 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924970965 618753521 /nfs/dbraw/zinc/75/35/21/618753521.db2.gz VODUHHCWYAHIKM-MRXNPFEDSA-N 2 0 317.477 3.087 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504561 619644249 /nfs/dbraw/zinc/64/42/49/619644249.db2.gz OKELYDIVMCMTFU-MFWIUYSUSA-N 2 0 300.446 3.433 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902730886 619667065 /nfs/dbraw/zinc/66/70/65/619667065.db2.gz UWHGAPYOSUTAQO-INIZCTEOSA-N 2 0 320.440 3.400 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@]1(C)CCCCO1 ZINC000902741964 619668978 /nfs/dbraw/zinc/66/89/78/619668978.db2.gz JIQJFWJFOOCSIJ-WDSOQIARSA-N 2 0 306.494 3.354 20 30 DGEDRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902993095 619700750 /nfs/dbraw/zinc/70/07/50/619700750.db2.gz PPDYLARNINBWOV-KRWDZBQOSA-N 2 0 317.502 3.426 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000903761531 619809221 /nfs/dbraw/zinc/80/92/21/619809221.db2.gz VPIRUVFFWMWCHX-QZTJIDSGSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CCCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000903769469 619810169 /nfs/dbraw/zinc/81/01/69/619810169.db2.gz GXXYWJWUVGKIIQ-UONOGXRCSA-N 2 0 317.399 3.310 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000903793774 619811476 /nfs/dbraw/zinc/81/14/76/619811476.db2.gz UHAZJEBSZFFYEP-UHFFFAOYSA-N 2 0 305.425 3.051 20 30 DGEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000113336035 620904317 /nfs/dbraw/zinc/90/43/17/620904317.db2.gz QQNNIMRVCJHLGE-UHFFFAOYSA-N 2 0 322.452 3.440 20 30 DGEDRP C=C(C)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603773 621007250 /nfs/dbraw/zinc/00/72/50/621007250.db2.gz OBTOTJPUAXHXMP-IBGZPJMESA-N 2 0 317.477 3.341 20 30 DGEDRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234993 623085776 /nfs/dbraw/zinc/08/57/76/623085776.db2.gz JQIQFRBCDLXSBA-QFBILLFUSA-N 2 0 323.440 3.200 20 30 DGEDRP C#CCCCCCC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000877620256 623964936 /nfs/dbraw/zinc/96/49/36/623964936.db2.gz DQEKSHNVQINJKL-UHFFFAOYSA-N 2 0 306.494 3.051 20 30 DGEDRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718346 624004165 /nfs/dbraw/zinc/00/41/65/624004165.db2.gz IQFYBYZEMUJGLI-MJGOQNOKSA-N 2 0 311.473 3.322 20 30 DGEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718347 624004299 /nfs/dbraw/zinc/00/42/99/624004299.db2.gz IQFYBYZEMUJGLI-PKOBYXMFSA-N 2 0 311.473 3.322 20 30 DGEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccccc1O)c1ccccc1O ZINC000879650205 624622855 /nfs/dbraw/zinc/62/28/55/624622855.db2.gz PDSDRBSZBUVEGR-HOTGVXAUSA-N 2 0 324.424 3.103 20 30 DGEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccccc1O)c1ccccc1O ZINC000879649374 624622879 /nfs/dbraw/zinc/62/28/79/624622879.db2.gz PDSDRBSZBUVEGR-HZPDHXFCSA-N 2 0 324.424 3.103 20 30 DGEDRP C=CCCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000883186436 625960593 /nfs/dbraw/zinc/96/05/93/625960593.db2.gz RSYOMFNJGPCCFY-QUCCMNQESA-N 2 0 315.505 3.310 20 30 DGEDRP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000883233137 626618014 /nfs/dbraw/zinc/61/80/14/626618014.db2.gz ATWOPFZMPDBWPQ-OKZBNKHCSA-N 2 0 302.462 3.330 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000886689865 627191160 /nfs/dbraw/zinc/19/11/60/627191160.db2.gz JFIFDMLMIOAKFH-BRWVUGGUSA-N 2 0 315.486 3.243 20 30 DGEDRP CC(C)(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000104181812 627412624 /nfs/dbraw/zinc/41/26/24/627412624.db2.gz JVCAIOQLFBXKSY-UHFFFAOYSA-N 2 0 316.493 3.265 20 30 DGEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924990224 627699673 /nfs/dbraw/zinc/69/96/73/627699673.db2.gz YHCMMJOTWNMYOM-UHFFFAOYSA-N 2 0 307.526 3.127 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000817954994 627973415 /nfs/dbraw/zinc/97/34/15/627973415.db2.gz OAGZQIIRVJYLOL-HUUCEWRRSA-N 2 0 308.853 3.468 20 30 DGEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961716 627976909 /nfs/dbraw/zinc/97/69/09/627976909.db2.gz ATDDFUFCJRDVHS-CABCVRRESA-N 2 0 309.413 3.459 20 30 DGEDRP C#CC[C@H]1CCC[N@H+](CCCC[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805206 629195314 /nfs/dbraw/zinc/19/53/14/629195314.db2.gz QZUHBGJJJZHNIW-BGYRXZFFSA-N 2 0 300.490 3.237 20 30 DGEDRP C#CC1CC[NH+](CCCCCC[NH+]2CCC(C#C)CC2)CC1 ZINC000830342807 629255685 /nfs/dbraw/zinc/25/56/85/629255685.db2.gz BQWXFHHOAFMSKC-UHFFFAOYSA-N 2 0 300.490 3.237 20 30 DGEDRP CCN(CC)c1ccc(/C=[NH+]/C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000840707913 630350640 /nfs/dbraw/zinc/35/06/40/630350640.db2.gz BDALNHDBEOBZCB-MMZRIFEVSA-N 2 0 315.461 3.283 20 30 DGEDRP C#CC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000843428325 630657418 /nfs/dbraw/zinc/65/74/18/630657418.db2.gz GOTJMWVCVSJHCI-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP C[NH+]1CCC(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000848999133 631802571 /nfs/dbraw/zinc/80/25/71/631802571.db2.gz VZHOVSUGIUTVJN-UHFFFAOYSA-N 2 0 314.477 3.282 20 30 DGEDRP CCCC[NH+]=C(NCC[N@H+](C)C(C)C)NCc1ccc(C)cc1 ZINC000849075085 631827821 /nfs/dbraw/zinc/82/78/21/631827821.db2.gz JQCVZERPFUMMNF-UHFFFAOYSA-N 2 0 318.509 3.171 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000793545347 661044138 /nfs/dbraw/zinc/04/41/38/661044138.db2.gz BILHUNPKYKXZAJ-UHOSZYNNSA-N 2 0 308.510 3.479 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000793545346 661044142 /nfs/dbraw/zinc/04/41/42/661044142.db2.gz BILHUNPKYKXZAJ-QXAKKESOSA-N 2 0 308.510 3.479 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000236702560 656212943 /nfs/dbraw/zinc/21/29/43/656212943.db2.gz HERUNVGTLHVQAR-QGZVFWFLSA-N 2 0 315.461 3.189 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)cc1C ZINC000303786981 657563469 /nfs/dbraw/zinc/56/34/69/657563469.db2.gz RXNPZSHNDMKGSJ-UHFFFAOYSA-N 2 0 302.466 3.296 20 30 DGEDRP COc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303888337 657573054 /nfs/dbraw/zinc/57/30/54/657573054.db2.gz LIGHIGJGSFTDGX-HNNXBMFYSA-N 2 0 318.465 3.076 20 30 DGEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+](C)C ZINC000304664498 657643084 /nfs/dbraw/zinc/64/30/84/657643084.db2.gz KKNPDQULJKFEMA-MRXNPFEDSA-N 2 0 316.493 3.268 20 30 DGEDRP CC(C)(C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304746197 657646129 /nfs/dbraw/zinc/64/61/29/657646129.db2.gz FSFPBGDWECMNDP-UHFFFAOYSA-N 2 0 316.493 3.265 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000304756374 657647422 /nfs/dbraw/zinc/64/74/22/657647422.db2.gz NRECDBFKVZCFNS-CABCVRRESA-N 2 0 302.466 3.269 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304758946 657648539 /nfs/dbraw/zinc/64/85/39/657648539.db2.gz QRHKIHQQDFWQHT-UHFFFAOYSA-N 2 0 316.493 3.267 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCC2CC[NH+](CC)CC2)cc1 ZINC000304760160 657648591 /nfs/dbraw/zinc/64/85/91/657648591.db2.gz SASNJRDKMJDNCQ-UHFFFAOYSA-N 2 0 302.466 3.098 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303911929 657698543 /nfs/dbraw/zinc/69/85/43/657698543.db2.gz ZXZMIDVGCZMKGO-GJZGRUSLSA-N 2 0 302.466 3.239 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000305802792 658058992 /nfs/dbraw/zinc/05/89/92/658058992.db2.gz FCBSGBOHFSXNTP-HNNXBMFYSA-N 2 0 302.466 3.240 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381072 659517831 /nfs/dbraw/zinc/51/78/31/659517831.db2.gz GXNWNIJFJYXIFL-INIZCTEOSA-N 2 0 315.461 3.141 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)c(F)c1 ZINC001580066407 1192005615 /nfs/dbraw/zinc/00/56/15/1192005615.db2.gz JWJVBFDPVBCOSL-GOSISDBHSA-N 2 0 313.420 3.051 20 30 DGEDRP C=CCOc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001620933277 1192628561 /nfs/dbraw/zinc/62/85/61/1192628561.db2.gz LKMJQEXCUSPRTQ-UHFFFAOYSA-N 2 0 320.396 3.122 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001461069340 1182764076 /nfs/dbraw/zinc/76/40/76/1182764076.db2.gz VCOLIXTWXWTGGR-SJLPKXTDSA-N 2 0 302.462 3.461 20 30 DGEDRP C=C(C)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001560480310 1189332470 /nfs/dbraw/zinc/33/24/70/1189332470.db2.gz WFCLAJIIYRGENK-UHFFFAOYSA-N 2 0 312.360 3.126 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H](O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001574901534 1191458064 /nfs/dbraw/zinc/45/80/64/1191458064.db2.gz LKKNIBRGUPBEPH-CABCVRRESA-N 2 0 316.367 3.012 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C2CC3(CC([NH3+])C3)C2)cc1Cl ZINC001574948048 1191459454 /nfs/dbraw/zinc/45/94/54/1191459454.db2.gz PXNSGPCZEGZXFZ-UHFFFAOYSA-N 2 0 306.837 3.264 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001651478567 1195469030 /nfs/dbraw/zinc/46/90/30/1195469030.db2.gz AXXRHNCDIJGQAW-IEBWSBKVSA-N 2 0 313.489 3.273 20 30 DGEDRP C=CCOc1cccc(C[NH2+]CCC2CC[NH+](CC)CC2)c1 ZINC001656613995 1196054919 /nfs/dbraw/zinc/05/49/19/1196054919.db2.gz AOOFFIJVRPCAIS-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001660264697 1196463588 /nfs/dbraw/zinc/46/35/88/1196463588.db2.gz AOZTWPNYQPMXHL-LJQANCHMSA-N 2 0 315.505 3.315 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000104155322 1199517105 /nfs/dbraw/zinc/51/71/05/1199517105.db2.gz HHFFWBSNBSQJOL-KRWDZBQOSA-N 2 0 314.408 3.164 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303890408 1199601019 /nfs/dbraw/zinc/60/10/19/1199601019.db2.gz QCRHBGGTFRFBEZ-HNNXBMFYSA-N 2 0 302.466 3.232 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001692132152 1200942007 /nfs/dbraw/zinc/94/20/07/1200942007.db2.gz QTKLBYPVZRPMBQ-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001700324429 1202237294 /nfs/dbraw/zinc/23/72/94/1202237294.db2.gz UTPPAUYJMWVDIH-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000237514878 1202675587 /nfs/dbraw/zinc/67/55/87/1202675587.db2.gz WZMIQSXEZBIXMN-QHGAOEGBSA-N 2 0 311.473 3.322 20 30 DGEDRP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001725242217 1204125967 /nfs/dbraw/zinc/12/59/67/1204125967.db2.gz NQQINKVHLNRADE-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361955 1082353090 /nfs/dbraw/zinc/35/30/90/1082353090.db2.gz KVVLCFYOASMNFJ-GPJFCIFZSA-N 2 0 311.473 3.464 20 30 DGEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490658 1082925048 /nfs/dbraw/zinc/92/50/48/1082925048.db2.gz WUXYDUCPQUEHFJ-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170751819 1083291900 /nfs/dbraw/zinc/29/19/00/1083291900.db2.gz VYPTWPSPEVBGAK-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001134736323 1083325696 /nfs/dbraw/zinc/32/56/96/1083325696.db2.gz CKCZRYUZIKKALL-KBPBESRZSA-N 2 0 314.433 3.016 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473716 1083732496 /nfs/dbraw/zinc/73/24/96/1083732496.db2.gz XQZJQSIJPAHSHR-QZTJIDSGSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806636 1084260020 /nfs/dbraw/zinc/26/00/20/1084260020.db2.gz BYAXLKXZHHFMPG-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185601165 1084484601 /nfs/dbraw/zinc/48/46/01/1084484601.db2.gz YPNNJGGFMDOYFX-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160867563 1088998845 /nfs/dbraw/zinc/99/88/45/1088998845.db2.gz HEDRPWBVDOXELY-ZWKOTPCHSA-N 2 0 323.525 3.070 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001204270668 1090937416 /nfs/dbraw/zinc/93/74/16/1090937416.db2.gz XYPKLKFOBQBUAD-KRWDZBQOSA-N 2 0 315.461 3.143 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276457613 1090954158 /nfs/dbraw/zinc/95/41/58/1090954158.db2.gz QOHLNRAYHGQCSX-ZHACJKMWSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1O ZINC001138629745 1091263128 /nfs/dbraw/zinc/26/31/28/1091263128.db2.gz IGNKDIOFMNXRLM-UHFFFAOYSA-N 2 0 314.473 3.429 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC001140137355 1091781390 /nfs/dbraw/zinc/78/13/90/1091781390.db2.gz DOOOCXIIVIPEOH-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225964 1092124722 /nfs/dbraw/zinc/12/47/22/1092124722.db2.gz DDKLAGBYNGMMMR-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP Cc1cc(N2CC[NH+](CCCc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001208854626 1092547002 /nfs/dbraw/zinc/54/70/02/1092547002.db2.gz RQGDLZZQDAOAMH-UHFFFAOYSA-N 2 0 320.440 3.017 20 30 DGEDRP Cc1cc(N2CC[NH+](CCCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001208864610 1092551913 /nfs/dbraw/zinc/55/19/13/1092551913.db2.gz XNZOKWMDEQNNEN-UHFFFAOYSA-N 2 0 320.440 3.017 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210788572 1093283560 /nfs/dbraw/zinc/28/35/60/1093283560.db2.gz FSDJPJSRVVFVDT-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CC[C@H]1[NH2+]CCC[C@H]1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001217926454 1094518157 /nfs/dbraw/zinc/51/81/57/1094518157.db2.gz GVDHCGGQCPZNRX-GUDVDZBRSA-N 2 0 302.462 3.393 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135705733 1094647340 /nfs/dbraw/zinc/64/73/40/1094647340.db2.gz ILQOGOPSABGLOR-IRXDYDNUSA-N 2 0 313.530 3.172 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336889238 1094775099 /nfs/dbraw/zinc/77/50/99/1094775099.db2.gz QAVBVHYAPPYGNL-IPMKNSEASA-N 2 0 311.473 3.337 20 30 DGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001337087226 1094847785 /nfs/dbraw/zinc/84/77/85/1094847785.db2.gz PYXZECARFKPTLG-INIZCTEOSA-N 2 0 321.852 3.081 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001221394811 1095257011 /nfs/dbraw/zinc/25/70/11/1095257011.db2.gz IFOIEJBWPJJUDM-KSZLIROESA-N 2 0 323.525 3.219 20 30 DGEDRP C=CCn1cc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)cn1 ZINC001222114495 1095440934 /nfs/dbraw/zinc/44/09/34/1095440934.db2.gz YUQFGDWXBBUVFJ-UHFFFAOYSA-N 2 0 316.493 3.205 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308066 1095541931 /nfs/dbraw/zinc/54/19/31/1095541931.db2.gz GUQZMPCEQVOWJN-LJQANCHMSA-N 2 0 300.446 3.360 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340216183 1095909381 /nfs/dbraw/zinc/90/93/81/1095909381.db2.gz QROTVARVXRJTPR-IAGOWNOFSA-N 2 0 311.514 3.007 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171245662 1095913818 /nfs/dbraw/zinc/91/38/18/1095913818.db2.gz ALXVYUWAIBHMIR-ZWKOTPCHSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340982095 1096085208 /nfs/dbraw/zinc/08/52/08/1096085208.db2.gz DTMSVBZBQDVATD-MRXNPFEDSA-N 2 0 303.450 3.306 20 30 DGEDRP CCCCCCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106641 1096369163 /nfs/dbraw/zinc/36/91/63/1096369163.db2.gz FXHBTNKLUSYTJP-UHFFFAOYSA-N 2 0 323.525 3.047 20 30 DGEDRP CCCCCCC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227833299 1096997134 /nfs/dbraw/zinc/99/71/34/1096997134.db2.gz VURPTZQVUDDXTN-UHFFFAOYSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001172248687 1097090406 /nfs/dbraw/zinc/09/04/06/1097090406.db2.gz DPYGWRWNGKPZAB-LJQANCHMSA-N 2 0 302.462 3.394 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](CC)CC(C)C)CC1 ZINC001172401900 1097145563 /nfs/dbraw/zinc/14/55/63/1097145563.db2.gz HIMRWBBECMRELK-LJQANCHMSA-N 2 0 307.526 3.103 20 30 DGEDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172493532 1097169046 /nfs/dbraw/zinc/16/90/46/1097169046.db2.gz UKVWPZYYLWXVCV-INIZCTEOSA-N 2 0 315.461 3.113 20 30 DGEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493996 1097169203 /nfs/dbraw/zinc/16/92/03/1097169203.db2.gz XCNRRWNNFVLVJX-BQFCYCMXSA-N 2 0 300.450 3.236 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H](C)CCCC#N)C[C@@H]3C2)cc1 ZINC001172493434 1097169334 /nfs/dbraw/zinc/16/93/34/1097169334.db2.gz ANQOAZZQWOLDEX-RLLQIKCJSA-N 2 0 311.473 3.441 20 30 DGEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCCCC ZINC001229173810 1097270494 /nfs/dbraw/zinc/27/04/94/1097270494.db2.gz IXDONICQEJRMSF-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600155 1097469365 /nfs/dbraw/zinc/46/93/65/1097469365.db2.gz WGPPROIIZABDMS-AVAKVYKDSA-N 2 0 319.493 3.034 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175565959 1098099561 /nfs/dbraw/zinc/09/95/61/1098099561.db2.gz NDHRWKVTIPPARN-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175564492 1098099655 /nfs/dbraw/zinc/09/96/55/1098099655.db2.gz BNUXJFNYLYRCHM-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175574556 1098101518 /nfs/dbraw/zinc/10/15/18/1098101518.db2.gz XZYAQNWEAIIMKO-MSOLQXFVSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176111450 1098263227 /nfs/dbraw/zinc/26/32/27/1098263227.db2.gz HZSSTFNYOZGWIS-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813755 1098438931 /nfs/dbraw/zinc/43/89/31/1098438931.db2.gz BPKLFQGGIYCFSY-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc2c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c[nH]c2c1 ZINC001235230263 1098904256 /nfs/dbraw/zinc/90/42/56/1098904256.db2.gz UTAALNMTSVDTEH-LJQANCHMSA-N 2 0 322.456 3.394 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178728684 1098930682 /nfs/dbraw/zinc/93/06/82/1098930682.db2.gz AJRMLXLQJIYLSE-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902529 1098967918 /nfs/dbraw/zinc/96/79/18/1098967918.db2.gz VMWNWBCJQZYTMG-WMZOPIPTSA-N 2 0 323.525 3.020 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001178916629 1098970780 /nfs/dbraw/zinc/97/07/80/1098970780.db2.gz KSADOKFORDNUSG-HNNXBMFYSA-N 2 0 320.864 3.174 20 30 DGEDRP N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428492 1099021702 /nfs/dbraw/zinc/02/17/02/1099021702.db2.gz QKBSOAMUCGHGBX-CABCVRRESA-N 2 0 317.864 3.423 20 30 DGEDRP CCCCCCC[N@H+](CC)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235662710 1099110412 /nfs/dbraw/zinc/11/04/12/1099110412.db2.gz VBXDOOYEZBWPQJ-UHFFFAOYSA-N 2 0 319.493 3.167 20 30 DGEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179908413 1099256316 /nfs/dbraw/zinc/25/63/16/1099256316.db2.gz UVHPMKOVVCHAGM-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352035 1099380980 /nfs/dbraw/zinc/38/09/80/1099380980.db2.gz MLHYMRLXWFBDRP-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP [NH3+]Cc1cccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001236304424 1099525345 /nfs/dbraw/zinc/52/53/45/1099525345.db2.gz ZOMVQNLBEUBTDS-UHFFFAOYSA-N 2 0 304.437 3.409 20 30 DGEDRP N#CC1(c2ccccc2-c2cccc3c2CC[NH2+]C3)CC[NH2+]CC1 ZINC001236360241 1099551954 /nfs/dbraw/zinc/55/19/54/1099551954.db2.gz PCMRPXVFZQIBSH-UHFFFAOYSA-N 2 0 317.436 3.144 20 30 DGEDRP N#Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236373984 1099561255 /nfs/dbraw/zinc/56/12/55/1099561255.db2.gz BDRXYFLICVMZOT-INIZCTEOSA-N 2 0 315.436 3.442 20 30 DGEDRP COc1ccc(C#N)cc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001236546394 1099674286 /nfs/dbraw/zinc/67/42/86/1099674286.db2.gz FPCUILZDUKZHHQ-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001236605351 1099701571 /nfs/dbraw/zinc/70/15/71/1099701571.db2.gz RDAXBFKTYVCNDO-NRFANRHFSA-N 2 0 304.437 3.257 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]12 ZINC001236821485 1099805805 /nfs/dbraw/zinc/80/58/05/1099805805.db2.gz VCQRNQPVEXRXDD-BHIFYINESA-N 2 0 316.448 3.256 20 30 DGEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001191448696 1100460202 /nfs/dbraw/zinc/46/02/02/1100460202.db2.gz ARKZTCRJWRNZTB-QGZVFWFLSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](CC)CCCC)CC1 ZINC001201572619 1102657926 /nfs/dbraw/zinc/65/79/26/1102657926.db2.gz RQQZKHSDYVYGPE-HXUWFJFHSA-N 2 0 321.553 3.494 20 30 DGEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202474213 1103326386 /nfs/dbraw/zinc/32/63/86/1103326386.db2.gz XGNJBCFMXOUHTQ-FUHWJXTLSA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001202496087 1103802797 /nfs/dbraw/zinc/80/27/97/1103802797.db2.gz NWFSLFMXHJEYRE-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245978999 1104345605 /nfs/dbraw/zinc/34/56/05/1104345605.db2.gz RFMHIMXNCHINGH-XWSJACJDSA-N 2 0 310.526 3.466 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc(C[NH2+]C)c1 ZINC001246004381 1104349785 /nfs/dbraw/zinc/34/97/85/1104349785.db2.gz PEVMATKZKOXFBC-LJQANCHMSA-N 2 0 304.478 3.383 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035529 1104356245 /nfs/dbraw/zinc/35/62/45/1104356245.db2.gz SNZGGJREWATIQI-GUDVDZBRSA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246130494 1104399989 /nfs/dbraw/zinc/39/99/89/1104399989.db2.gz TVXFPVKSJYLBGP-QRVBRYPASA-N 2 0 309.542 3.399 20 30 DGEDRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328307 1104492751 /nfs/dbraw/zinc/49/27/51/1104492751.db2.gz KZQZMANGPOWFMS-SJLPKXTDSA-N 2 0 315.461 3.083 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001274891043 1104535203 /nfs/dbraw/zinc/53/52/03/1104535203.db2.gz PYCIJMSCUKUWET-UHFFFAOYSA-N 2 0 311.473 3.299 20 30 DGEDRP C[NH+](C)C1(C)CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001330363511 1104545489 /nfs/dbraw/zinc/54/54/89/1104545489.db2.gz HMSWNEMUMUIZKF-UHFFFAOYSA-N 2 0 311.473 3.463 20 30 DGEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1C ZINC001246485303 1104561568 /nfs/dbraw/zinc/56/15/68/1104561568.db2.gz SYBPOWATUHNXFQ-WOJBJXKFSA-N 2 0 321.468 3.372 20 30 DGEDRP CCCCCCCC[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001275130613 1104641065 /nfs/dbraw/zinc/64/10/65/1104641065.db2.gz CDODDGJAEKZQDW-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246679555 1104658300 /nfs/dbraw/zinc/65/83/00/1104658300.db2.gz UYQCGRBRIYAQOL-AHRSYUTCSA-N 2 0 311.473 3.201 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246894221 1104726201 /nfs/dbraw/zinc/72/62/01/1104726201.db2.gz MHQOAPUDAZHTRJ-GOSISDBHSA-N 2 0 309.542 3.351 20 30 DGEDRP C(#CC1CC[NH+](C2CCC3(C[NH2+]C3)CC2)CC1)c1ccccc1 ZINC001246920877 1104738712 /nfs/dbraw/zinc/73/87/12/1104738712.db2.gz GPOQYYNHEAODMO-UHFFFAOYSA-N 2 0 308.469 3.282 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275620939 1104836215 /nfs/dbraw/zinc/83/62/15/1104836215.db2.gz OQZGRHUUEOICJY-HDICACEKSA-N 2 0 314.473 3.415 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001254650185 1106122421 /nfs/dbraw/zinc/12/24/21/1106122421.db2.gz YHGPRICDWYWYOM-DOTOQJQBSA-N 2 0 317.864 3.368 20 30 DGEDRP CC[C@@H](CC#N)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162061 1106195117 /nfs/dbraw/zinc/19/51/17/1106195117.db2.gz GCXYBFABAPIAQU-FHWLQOOXSA-N 2 0 310.445 3.322 20 30 DGEDRP N#CC1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256962810 1106515830 /nfs/dbraw/zinc/51/58/30/1106515830.db2.gz ZCCORIBMQUXLCA-CTPABKKDSA-N 2 0 312.461 3.236 20 30 DGEDRP N#CC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256969418 1106517681 /nfs/dbraw/zinc/51/76/81/1106517681.db2.gz HUCMEFFUQKCZSK-RTRUNKLESA-N 2 0 309.457 3.133 20 30 DGEDRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@H]2C1 ZINC001257023209 1106525219 /nfs/dbraw/zinc/52/52/19/1106525219.db2.gz WYAHMARUDCBRMM-JWFWCLOMSA-N 2 0 323.484 3.468 20 30 DGEDRP C=C1C[C@@H]2CC([N@H+](CCOC)C3CCN(C)CC3)C[C@H](C1)C2 ZINC001257893049 1106642429 /nfs/dbraw/zinc/64/24/29/1106642429.db2.gz LIHPJXVCJPIVQO-JJTKIYQPSA-N 2 0 306.494 3.164 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)N/C(C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001258907451 1107055961 /nfs/dbraw/zinc/05/59/61/1107055961.db2.gz QJVHNIWJSHMYSK-INIZCTEOSA-N 3 0 318.509 3.164 20 30 DGEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001264122504 1108385399 /nfs/dbraw/zinc/38/53/99/1108385399.db2.gz OCHKYBUSZWVKCC-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001319473121 1108485161 /nfs/dbraw/zinc/48/51/61/1108485161.db2.gz BBCPWLUFMAGGMI-LJQANCHMSA-N 2 0 313.489 3.273 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)c1 ZINC000104171751 432015019 /nfs/dbraw/zinc/01/50/19/432015019.db2.gz IOFIGFNYLDJIBF-UHFFFAOYSA-N 2 0 310.445 3.237 20 30 DGEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181616351 299290868 /nfs/dbraw/zinc/29/08/68/299290868.db2.gz OGDNMHPVDKOTTB-ULQDDVLXSA-N 2 0 315.461 3.098 20 30 DGEDRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000237513752 202267111 /nfs/dbraw/zinc/26/71/11/202267111.db2.gz VXKRFWRFSLWPBB-OXJNMPFZSA-N 2 0 305.425 3.483 20 30 DGEDRP Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000443999448 239249031 /nfs/dbraw/zinc/24/90/31/239249031.db2.gz UCMWOCVELJYSFC-UHFFFAOYSA-N 2 0 320.440 3.268 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928871 533444310 /nfs/dbraw/zinc/44/43/10/533444310.db2.gz JJSYOPKKYVXVBY-APWZRJJASA-N 2 0 311.473 3.495 20 30 DGEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595429903 400147041 /nfs/dbraw/zinc/14/70/41/400147041.db2.gz IGXFZCVGQLAYNS-QFBILLFUSA-N 2 0 311.473 3.343 20 30 DGEDRP N#CC1(c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000596059647 400306372 /nfs/dbraw/zinc/30/63/72/400306372.db2.gz UEJFKTIBVWEDFS-LJQANCHMSA-N 2 0 323.484 3.453 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000611254327 400365170 /nfs/dbraw/zinc/36/51/70/400365170.db2.gz JWMVJHLYSSLLQS-UHFFFAOYSA-N 2 0 323.440 3.131 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000602515500 400484451 /nfs/dbraw/zinc/48/44/51/400484451.db2.gz WWZGBKMBLAHNPY-ROUUACIJSA-N 2 0 321.509 3.330 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000602515450 400485113 /nfs/dbraw/zinc/48/51/13/400485113.db2.gz VMRHVEXDXMAILY-KZNAEPCWSA-N 2 0 321.509 3.043 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000591578292 400541075 /nfs/dbraw/zinc/54/10/75/400541075.db2.gz MUVWSXFUAUTNSX-HXUWFJFHSA-N 2 0 303.409 3.329 20 30 DGEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030196 400543274 /nfs/dbraw/zinc/54/32/74/400543274.db2.gz QVBTZQSBCNWKIX-PKOBYXMFSA-N 2 0 309.457 3.158 20 30 DGEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133400 400565971 /nfs/dbraw/zinc/56/59/71/400565971.db2.gz TWZCZHDOLUJMGM-LJQANCHMSA-N 2 0 323.484 3.405 20 30 DGEDRP C=CCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181632315 400890207 /nfs/dbraw/zinc/89/02/07/400890207.db2.gz OCWWQWZLSJAANR-OAHLLOKOSA-N 2 0 305.441 3.194 20 30 DGEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000151320724 227060140 /nfs/dbraw/zinc/06/01/40/227060140.db2.gz WSONVNCTUQMXRP-OXJNMPFZSA-N 2 0 305.425 3.311 20 30 DGEDRP N#CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000342724108 229117608 /nfs/dbraw/zinc/11/76/08/229117608.db2.gz DIIXINRUXDWBKS-ICSRJNTNSA-N 2 0 309.457 3.201 20 30 DGEDRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029576 274260462 /nfs/dbraw/zinc/26/04/62/274260462.db2.gz ILFZLLLNSWIFBT-HUUCEWRRSA-N 2 0 305.425 3.484 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337134931 276095397 /nfs/dbraw/zinc/09/53/97/276095397.db2.gz LXBCEUIOZHYBKS-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCCCC1 ZINC000194190962 432530911 /nfs/dbraw/zinc/53/09/11/432530911.db2.gz KOCPVPYKTXWZAI-SJORKVTESA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCCCC1 ZINC000194190945 432531333 /nfs/dbraw/zinc/53/13/33/432531333.db2.gz KOCPVPYKTXWZAI-IRXDYDNUSA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177821830 432665262 /nfs/dbraw/zinc/66/52/62/432665262.db2.gz OQDMHUKTUVRCPR-RKVPGOIHSA-N 2 0 317.502 3.110 20 30 DGEDRP N#Cc1ccc(F)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585127 432767997 /nfs/dbraw/zinc/76/79/97/432767997.db2.gz KAYXICFHELNBEM-MRXNPFEDSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CCN1CCC([NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289196164 432931784 /nfs/dbraw/zinc/93/17/84/432931784.db2.gz JGVDIMSKYDZKQG-MRXNPFEDSA-N 2 0 304.409 3.062 20 30 DGEDRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C#N)cc1 ZINC000278863061 432909769 /nfs/dbraw/zinc/90/97/69/432909769.db2.gz WKWLIQXFYQQYGA-IBGZPJMESA-N 2 0 315.461 3.100 20 30 DGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290361324 433039129 /nfs/dbraw/zinc/03/91/29/433039129.db2.gz QUORSGQCPSZCKZ-HZPDHXFCSA-N 2 0 305.466 3.102 20 30 DGEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000421368497 433509582 /nfs/dbraw/zinc/50/95/82/433509582.db2.gz GFUJQAWTIGSHPA-UHFFFAOYSA-N 2 0 315.461 3.332 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449546974 433751365 /nfs/dbraw/zinc/75/13/65/433751365.db2.gz GDRBJMQCXFMDPD-NQYYFHDYSA-N 2 0 306.494 3.353 20 30 DGEDRP C#CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000294328378 434086636 /nfs/dbraw/zinc/08/66/36/434086636.db2.gz XMRGGFNPXNIXHT-FQEVSTJZSA-N 2 0 305.425 3.405 20 30 DGEDRP CC(C)(CCC#N)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423118397 434229113 /nfs/dbraw/zinc/22/91/13/434229113.db2.gz AHKRXDMRIIYHPT-LPHOPBHVSA-N 2 0 313.445 3.162 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366659917 434476274 /nfs/dbraw/zinc/47/62/74/434476274.db2.gz BNOAHOMXLXSCFZ-APWZRJJASA-N 2 0 306.494 3.354 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411789370 434828173 /nfs/dbraw/zinc/82/81/73/434828173.db2.gz NHANCKKSGRAJOV-UXHICEINSA-N 2 0 314.473 3.496 20 30 DGEDRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000466420442 435076394 /nfs/dbraw/zinc/07/63/94/435076394.db2.gz AZZXIYWEMQCILY-UTKZUKDTSA-N 2 0 319.452 3.353 20 30 DGEDRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425304 435076650 /nfs/dbraw/zinc/07/66/50/435076650.db2.gz MIRBKYXYXYOKTF-UWJYYQICSA-N 2 0 319.452 3.211 20 30 DGEDRP C=CCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000563215997 435265495 /nfs/dbraw/zinc/26/54/95/435265495.db2.gz IKNBOZXJZOGEOO-INIZCTEOSA-N 2 0 308.491 3.013 20 30 DGEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CN2CCOCC2)cc1 ZINC000662089081 436270219 /nfs/dbraw/zinc/27/02/19/436270219.db2.gz STWDFBKYXQKKGY-BGYRXZFFSA-N 2 0 312.457 3.202 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952251 436314640 /nfs/dbraw/zinc/31/46/40/436314640.db2.gz MORQXXODEOSYIQ-MRXNPFEDSA-N 2 0 306.837 3.137 20 30 DGEDRP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000562990766 333020662 /nfs/dbraw/zinc/02/06/62/333020662.db2.gz FRAKIQBOMBQLKB-IAGOWNOFSA-N 2 0 315.461 3.348 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701565 340250994 /nfs/dbraw/zinc/25/09/94/340250994.db2.gz XDBHDFVRSUDSNW-PKOBYXMFSA-N 2 0 302.462 3.079 20 30 DGEDRP C=CCC1(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCCC1 ZINC000423161067 527063960 /nfs/dbraw/zinc/06/39/60/527063960.db2.gz NENNDCSGTUDCMZ-MRXNPFEDSA-N 2 0 322.493 3.034 20 30 DGEDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1F ZINC000449207828 536011069 /nfs/dbraw/zinc/01/10/69/536011069.db2.gz RIDKKSYOADJLIU-UHFFFAOYSA-N 2 0 303.425 3.449 20 30 DGEDRP C=CCC1([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000668552014 547477446 /nfs/dbraw/zinc/47/74/46/547477446.db2.gz BTCLCOWQGZZHRF-LJQANCHMSA-N 2 0 314.473 3.366 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000685412697 549755759 /nfs/dbraw/zinc/75/57/59/549755759.db2.gz YSXHLVGOHMHQAY-IAGOWNOFSA-N 2 0 322.518 3.137 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000685412698 549755920 /nfs/dbraw/zinc/75/59/20/549755920.db2.gz YSXHLVGOHMHQAY-IRXDYDNUSA-N 2 0 322.518 3.137 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926345149 617957770 /nfs/dbraw/zinc/95/77/70/617957770.db2.gz ZQZHPZLLDAYJCT-SNRMKQJTSA-N 2 0 302.462 3.380 20 30 DGEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104181564 617962864 /nfs/dbraw/zinc/96/28/64/617962864.db2.gz OQDTZQWAMGPMJA-INIZCTEOSA-N 2 0 318.465 3.076 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925607507 618506713 /nfs/dbraw/zinc/50/67/13/618506713.db2.gz CEQRVQJSDWVNJY-LJQANCHMSA-N 2 0 301.478 3.097 20 30 DGEDRP C[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)(c2ccccc2)CC1 ZINC000895825018 618836621 /nfs/dbraw/zinc/83/66/21/618836621.db2.gz DBUHYYHSPCIDRC-UHFFFAOYSA-N 2 0 318.464 3.291 20 30 DGEDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902836139 619682081 /nfs/dbraw/zinc/68/20/81/619682081.db2.gz SVGHHWLJUIAVFY-ZLPCBKJTSA-N 2 0 312.461 3.401 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903077505 619712248 /nfs/dbraw/zinc/71/22/48/619712248.db2.gz KKSZANLQWRAQTH-HNNXBMFYSA-N 2 0 300.450 3.114 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000113336295 620904495 /nfs/dbraw/zinc/90/44/95/620904495.db2.gz OTFFFUKEDYEPTN-IBGZPJMESA-N 2 0 314.473 3.299 20 30 DGEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921819199 620955490 /nfs/dbraw/zinc/95/54/90/620955490.db2.gz BOECGIYDRNNMSU-UHFFFAOYSA-N 2 0 305.491 3.467 20 30 DGEDRP C=CCC[C@@H](O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343827 621178619 /nfs/dbraw/zinc/17/86/19/621178619.db2.gz XORAPPXKIFXIBM-SJORKVTESA-N 2 0 320.502 3.019 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000859214947 621261044 /nfs/dbraw/zinc/26/10/44/621261044.db2.gz VQBPZEJURCYOLZ-UHFFFAOYSA-N 2 0 323.440 3.131 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000865846932 622006645 /nfs/dbraw/zinc/00/66/45/622006645.db2.gz BGLKTIHZWQFFTF-FQEVSTJZSA-N 2 0 323.484 3.412 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260705 623095125 /nfs/dbraw/zinc/09/51/25/623095125.db2.gz GDNKODWEXLWWKB-MJKGWSOKSA-N 2 0 309.457 3.446 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877141616 623805170 /nfs/dbraw/zinc/80/51/70/623805170.db2.gz BBQVHXCFAQEXGP-CYBMUJFWSA-N 2 0 308.857 3.207 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000883167536 625950834 /nfs/dbraw/zinc/95/08/34/625950834.db2.gz AJKWLPYXLRYIQM-OALUTQOASA-N 2 0 302.462 3.352 20 30 DGEDRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809754515 626946853 /nfs/dbraw/zinc/94/68/53/626946853.db2.gz ATWBJHUXPOUVPI-MRXNPFEDSA-N 2 0 303.450 3.141 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809767120 626949279 /nfs/dbraw/zinc/94/92/79/626949279.db2.gz GJDLZFRUYOEVLQ-UYAOXDASSA-N 2 0 312.457 3.005 20 30 DGEDRP N#C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000886646844 627179385 /nfs/dbraw/zinc/17/93/85/627179385.db2.gz VCVUWNKUHSQPGE-VNTMZGSJSA-N 2 0 309.457 3.133 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861796 627688567 /nfs/dbraw/zinc/68/85/67/627688567.db2.gz LZXHCCLOZCFHHD-OAHLLOKOSA-N 2 0 303.450 3.045 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000925771526 627792466 /nfs/dbraw/zinc/79/24/66/627792466.db2.gz BTNZPITVYQMEIO-BRWVUGGUSA-N 2 0 315.486 3.290 20 30 DGEDRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000925886833 627812422 /nfs/dbraw/zinc/81/24/22/627812422.db2.gz MAQIZRIHZAVHNU-GZRFBZBPSA-N 2 0 323.415 3.407 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCO1 ZINC000927040061 628001783 /nfs/dbraw/zinc/00/17/83/628001783.db2.gz WIOYXKONVFFPBQ-CXUOOODFSA-N 2 0 306.494 3.497 20 30 DGEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849032561 631813235 /nfs/dbraw/zinc/81/32/35/631813235.db2.gz LKQPMTCPUDWFAH-OAHLLOKOSA-N 2 0 300.450 3.091 20 30 DGEDRP CC(C)(C)[NH2+]CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849101217 631836130 /nfs/dbraw/zinc/83/61/30/631836130.db2.gz WIUDNGCMHKAVMA-UHFFFAOYSA-N 2 0 302.466 3.329 20 30 DGEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000793545349 661044104 /nfs/dbraw/zinc/04/41/04/661044104.db2.gz BILHUNPKYKXZAJ-YTQUADARSA-N 2 0 308.510 3.479 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262002886 655747397 /nfs/dbraw/zinc/74/73/97/655747397.db2.gz QKUHGQTUAFGPNO-MRXNPFEDSA-N 2 0 316.493 3.040 20 30 DGEDRP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303867390 657567716 /nfs/dbraw/zinc/56/77/16/657567716.db2.gz CVXPCGIMYQZUAL-GOSISDBHSA-N 2 0 316.493 3.116 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000303872668 657570563 /nfs/dbraw/zinc/57/05/63/657570563.db2.gz GMVQKMUOSKNVPQ-INIZCTEOSA-N 2 0 302.466 3.152 20 30 DGEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303900859 657576637 /nfs/dbraw/zinc/57/66/37/657576637.db2.gz XAOTYXAHMMFSMW-IAGOWNOFSA-N 2 0 310.530 3.226 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000303901570 657577141 /nfs/dbraw/zinc/57/71/41/657577141.db2.gz SUBQUJMQJKDXNO-HUUCEWRRSA-N 2 0 316.493 3.398 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000303901077 657577302 /nfs/dbraw/zinc/57/73/02/657577302.db2.gz XCUHWVJCPUUAML-OAHLLOKOSA-N 2 0 302.466 3.098 20 30 DGEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000303910701 657578079 /nfs/dbraw/zinc/57/80/79/657578079.db2.gz ZCXHZDRIUFYYSM-LSDHHAIUSA-N 2 0 314.477 3.022 20 30 DGEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304712972 657644188 /nfs/dbraw/zinc/64/41/88/657644188.db2.gz YYKUXKDXRCRDOJ-CQSZACIVSA-N 2 0 302.466 3.022 20 30 DGEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000303368342 657675988 /nfs/dbraw/zinc/67/59/88/657675988.db2.gz IVHWKOKPEQSPOP-KRWDZBQOSA-N 2 0 302.466 3.314 20 30 DGEDRP CC1CC[NH+](CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000304689735 657710674 /nfs/dbraw/zinc/71/06/74/657710674.db2.gz RCQPUTLZKKDFDV-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CCC(CC)(CNC(=[NH2+])N(C)C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000305829573 658067410 /nfs/dbraw/zinc/06/74/10/658067410.db2.gz SSFGYHRLBLTNNG-HNNXBMFYSA-N 2 0 316.493 3.305 20 30 DGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC(C)(C)C ZINC000086147528 658593006 /nfs/dbraw/zinc/59/30/06/658593006.db2.gz BQXTZZSWBUEAIG-ZFWWWQNUSA-N 2 0 322.522 3.095 20 30 DGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175011003 659914874 /nfs/dbraw/zinc/91/48/74/659914874.db2.gz YSVVVPXODQADDD-MSOLQXFVSA-N 2 0 300.446 3.051 20 30 DGEDRP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCCC1 ZINC000237550642 659928972 /nfs/dbraw/zinc/92/89/72/659928972.db2.gz IRRMAFDLOFQRFE-QGZVFWFLSA-N 2 0 315.461 3.191 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC001580040241 1192004773 /nfs/dbraw/zinc/00/47/73/1192004773.db2.gz HYMAWNGYNTVDTC-YBXZHIRMSA-N 2 0 309.457 3.250 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001671660054 1177019556 /nfs/dbraw/zinc/01/95/56/1177019556.db2.gz RIARJPYUJGAYDM-PKOBYXMFSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464135 1177912392 /nfs/dbraw/zinc/91/23/92/1177912392.db2.gz GAEJVFIVBQLYAN-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001331995865 1178331974 /nfs/dbraw/zinc/33/19/74/1178331974.db2.gz HTCUVDBCZGWBCF-UHFFFAOYSA-N 2 0 303.837 3.177 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@H]2C1 ZINC001343335764 1179257698 /nfs/dbraw/zinc/25/76/98/1179257698.db2.gz XSWCXOKQFDZXQX-NLWGTHIKSA-N 2 0 323.484 3.404 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001353622837 1180607717 /nfs/dbraw/zinc/60/77/17/1180607717.db2.gz LQSOHUXSUNKNRM-QGZVFWFLSA-N 2 0 323.525 3.057 20 30 DGEDRP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505920272 1186163691 /nfs/dbraw/zinc/16/36/91/1186163691.db2.gz JHNVYGZYZDSCDE-IAGOWNOFSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001560704206 1189363215 /nfs/dbraw/zinc/36/32/15/1189363215.db2.gz AEZSDHJSZTTWRD-PMACEKPBSA-N 2 0 316.489 3.478 20 30 DGEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001569451266 1190700717 /nfs/dbraw/zinc/70/07/17/1190700717.db2.gz VNSFUICRWFOVIN-GOSISDBHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC001574908099 1191457872 /nfs/dbraw/zinc/45/78/72/1191457872.db2.gz DAVAFUCKBRBFMC-KRWDZBQOSA-N 2 0 315.461 3.280 20 30 DGEDRP CC(C)(C#N)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001575098856 1191465895 /nfs/dbraw/zinc/46/58/95/1191465895.db2.gz GRWXMCXZVBNYRK-GOSISDBHSA-N 2 0 311.473 3.309 20 30 DGEDRP CC(C)C[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CC[NH+](C)CC1 ZINC001644258588 1195093988 /nfs/dbraw/zinc/09/39/88/1195093988.db2.gz HPIAQBAZYPJFGK-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001651478566 1195469568 /nfs/dbraw/zinc/46/95/68/1195469568.db2.gz AXXRHNCDIJGQAW-HKUYNNGSSA-N 2 0 313.489 3.273 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001700324431 1202236998 /nfs/dbraw/zinc/23/69/98/1202236998.db2.gz UTPPAUYJMWVDIH-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178726480 1204292831 /nfs/dbraw/zinc/29/28/31/1204292831.db2.gz FVFCURXXTLDGNL-MRXNPFEDSA-N 2 0 302.466 3.090 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809427 1081658293 /nfs/dbraw/zinc/65/82/93/1081658293.db2.gz HBVHILMINZORPE-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001208926026 1081668571 /nfs/dbraw/zinc/66/85/71/1081668571.db2.gz FIMVLGXIVJNCBU-FQEVSTJZSA-N 2 0 311.473 3.441 20 30 DGEDRP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612772 1083312111 /nfs/dbraw/zinc/31/21/11/1083312111.db2.gz PWDQUGQEXMEKNX-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCCCN(CC[NH3+])C1CC[NH+](CC2CC2)CC1 ZINC001168363039 1087373779 /nfs/dbraw/zinc/37/37/79/1087373779.db2.gz RCIMJFBLLNOKMD-UHFFFAOYSA-N 2 0 309.542 3.482 20 30 DGEDRP C#CCN([C@@H]1CCc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168391991 1087550504 /nfs/dbraw/zinc/55/05/04/1087550504.db2.gz PRRHKRGJFOXESX-OAQYLSRUSA-N 2 0 308.469 3.484 20 30 DGEDRP Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1CC#N ZINC001158263534 1087746231 /nfs/dbraw/zinc/74/62/31/1087746231.db2.gz FAXSSWJMLZOBDL-MAUKXSAKSA-N 2 0 300.450 3.412 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153818940 1088373006 /nfs/dbraw/zinc/37/30/06/1088373006.db2.gz GWAPQOOBAVVPEV-QZTJIDSGSA-N 2 0 323.525 3.042 20 30 DGEDRP N#Cc1cc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159775405 1088478040 /nfs/dbraw/zinc/47/80/40/1088478040.db2.gz HQHUICVTARSEBH-MRXNPFEDSA-N 2 0 318.424 3.066 20 30 DGEDRP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156306667 1089471296 /nfs/dbraw/zinc/47/12/96/1089471296.db2.gz URMBBZKEBJDVGY-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001204268983 1090937456 /nfs/dbraw/zinc/93/74/56/1090937456.db2.gz RLIYYSSNSNNQCQ-KRWDZBQOSA-N 2 0 315.461 3.143 20 30 DGEDRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001205273860 1091161000 /nfs/dbraw/zinc/16/10/00/1091161000.db2.gz QKKPDENNRMMHKA-FQEVSTJZSA-N 2 0 320.440 3.324 20 30 DGEDRP C#Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC001206755845 1091725454 /nfs/dbraw/zinc/72/54/54/1091725454.db2.gz SKISDZRRXOQISF-UHFFFAOYSA-N 2 0 304.437 3.160 20 30 DGEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CC[NH+](CC)CC)CC2)CC1 ZINC001208169327 1092235089 /nfs/dbraw/zinc/23/50/89/1092235089.db2.gz OWOKOLZBIKQHAT-HXUWFJFHSA-N 2 0 319.537 3.248 20 30 DGEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001491938295 1092309302 /nfs/dbraw/zinc/30/93/02/1092309302.db2.gz LJXIRQIIOXBMLF-QGZVFWFLSA-N 2 0 315.461 3.119 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208854239 1092544811 /nfs/dbraw/zinc/54/48/11/1092544811.db2.gz LRVOEVSGTNMETQ-UHFFFAOYSA-N 2 0 320.440 3.017 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3cc(C#N)ccc13)CC2 ZINC001142925914 1092586075 /nfs/dbraw/zinc/58/60/75/1092586075.db2.gz FXPVBVILVLKIFQ-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=CCCCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001209442529 1092777030 /nfs/dbraw/zinc/77/70/30/1092777030.db2.gz URYPRSIYPBEVSX-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210182609 1093070411 /nfs/dbraw/zinc/07/04/11/1093070411.db2.gz ILPFBBGKMKJDHD-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001276685066 1093182606 /nfs/dbraw/zinc/18/26/06/1093182606.db2.gz RSLXWSFLQVIUCF-FQEVSTJZSA-N 2 0 314.473 3.429 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170785116 1094371349 /nfs/dbraw/zinc/37/13/49/1094371349.db2.gz OIJSSRPRRLRUPS-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081377 1094392868 /nfs/dbraw/zinc/39/28/68/1094392868.db2.gz LHAMGVRHNYVEPU-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP c1ccc([S+](CCO[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC001217859350 1094506318 /nfs/dbraw/zinc/50/63/18/1094506318.db2.gz GXQNCDDQYXSDJC-KRWDZBQOSA-N 2 0 314.474 3.492 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218995901 1094921798 /nfs/dbraw/zinc/92/17/98/1094921798.db2.gz TXFWKXFHPGMOPM-WMZOPIPTSA-N 2 0 315.461 3.166 20 30 DGEDRP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601457 1095295591 /nfs/dbraw/zinc/29/55/91/1095295591.db2.gz BKMWBLNFSMJCLH-UHFFFAOYSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCCC[N@@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215966 1095496269 /nfs/dbraw/zinc/49/62/69/1095496269.db2.gz QDMPCLRWGMPGMH-QGZVFWFLSA-N 2 0 324.509 3.354 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171254981 1095937296 /nfs/dbraw/zinc/93/72/96/1095937296.db2.gz WUQNIBUIJISKBY-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146715353 1096093901 /nfs/dbraw/zinc/09/39/01/1096093901.db2.gz UHUXVGSVWWKRPY-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147359335 1096208536 /nfs/dbraw/zinc/20/85/36/1096208536.db2.gz OUATVIGWXSLGLE-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330856 1096362508 /nfs/dbraw/zinc/36/25/08/1096362508.db2.gz VVHQAXCJMGZYPV-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C/C(N[C@@H](C)Cc1ccc(C#N)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172307168 1097095564 /nfs/dbraw/zinc/09/55/64/1097095564.db2.gz CMCQRKRBCTVNMF-HNNXBMFYSA-N 2 0 320.440 3.156 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172346060 1097120517 /nfs/dbraw/zinc/12/05/17/1097120517.db2.gz FSWXDTADNGIKKB-GOSISDBHSA-N 2 0 316.530 3.487 20 30 DGEDRP COc1ccc(CC2([NH3+])CC[NH+]([C@H](C)CCCC#N)CC2)cc1 ZINC001172491871 1097167848 /nfs/dbraw/zinc/16/78/48/1097167848.db2.gz KJYZMSNYRNOODW-MRXNPFEDSA-N 2 0 315.461 3.113 20 30 DGEDRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001173104404 1097330420 /nfs/dbraw/zinc/33/04/20/1097330420.db2.gz NMOTWIBSQSLFFU-UHFFFAOYSA-N 2 0 303.425 3.440 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173325101 1097417379 /nfs/dbraw/zinc/41/73/79/1097417379.db2.gz CRDQKNPTRTTXHO-UHFFFAOYSA-N 2 0 315.461 3.189 20 30 DGEDRP COc1cc(C#N)ccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231618262 1097792839 /nfs/dbraw/zinc/79/28/39/1097792839.db2.gz CXMIFOKJZDDPAC-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175564493 1098099640 /nfs/dbraw/zinc/09/96/40/1098099640.db2.gz BNUXJFNYLYRCHM-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277808340 1098433457 /nfs/dbraw/zinc/43/34/57/1098433457.db2.gz WGEYBGVREIJGBU-IPELMVKDSA-N 2 0 314.477 3.220 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331404 1098518640 /nfs/dbraw/zinc/51/86/40/1098518640.db2.gz IRQPQTHCXDZNQE-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP N#Cc1cccc2c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c[nH]c21 ZINC001235226201 1098898167 /nfs/dbraw/zinc/89/81/67/1098898167.db2.gz AIFUKFVTMKKUCR-LJQANCHMSA-N 2 0 322.456 3.394 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235226911 1098900238 /nfs/dbraw/zinc/90/02/38/1098900238.db2.gz BXLKBUGBUFYNBS-SFHVURJKSA-N 2 0 301.409 3.051 20 30 DGEDRP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235356456 1098974961 /nfs/dbraw/zinc/97/49/61/1098974961.db2.gz XPSNFIUXVUYPAO-FGZHOGPDSA-N 2 0 316.448 3.247 20 30 DGEDRP CCCCCCC[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235663102 1099113107 /nfs/dbraw/zinc/11/31/07/1099113107.db2.gz QQBJRHUJJJYEPE-UHFFFAOYSA-N 2 0 319.493 3.204 20 30 DGEDRP N#Cc1ccc(Cl)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235706177 1099138119 /nfs/dbraw/zinc/13/81/19/1099138119.db2.gz PMNUDNAFYWBMGU-UHFFFAOYSA-N 2 0 317.864 3.423 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179745829 1099197814 /nfs/dbraw/zinc/19/78/14/1099197814.db2.gz IQWLUMIFRMLGMF-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179746188 1099198273 /nfs/dbraw/zinc/19/82/73/1099198273.db2.gz QIMBKNGSBGZEQL-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179903320 1099253734 /nfs/dbraw/zinc/25/37/34/1099253734.db2.gz HUZQXLCBMPUCNA-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCCCCC[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236079598 1099375123 /nfs/dbraw/zinc/37/51/23/1099375123.db2.gz ONNIQTNGQFQREA-LJQANCHMSA-N 2 0 309.542 3.482 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352747 1099380800 /nfs/dbraw/zinc/38/08/00/1099380800.db2.gz UXBXDIZZOLVSCK-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCCCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236127323 1099415492 /nfs/dbraw/zinc/41/54/92/1099415492.db2.gz FRCJGKABRJPMHE-UHFFFAOYSA-N 2 0 307.526 3.273 20 30 DGEDRP C=CCOc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236600312 1099697654 /nfs/dbraw/zinc/69/76/54/1099697654.db2.gz GGNMFYOUWJVIOC-QGZVFWFLSA-N 2 0 300.446 3.215 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106159 1099699445 /nfs/dbraw/zinc/69/94/45/1099699445.db2.gz BAGPAASRQAAYGG-GOSISDBHSA-N 2 0 323.525 3.023 20 30 DGEDRP N#Cc1ccc(CC[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1 ZINC001236947685 1099886761 /nfs/dbraw/zinc/88/67/61/1099886761.db2.gz LGPVOHKMCVJXOL-UHFFFAOYSA-N 2 0 311.473 3.202 20 30 DGEDRP COc1cc(C#N)ccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001241408194 1101436796 /nfs/dbraw/zinc/43/67/96/1101436796.db2.gz MTDDCPWQVBOWOC-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111235048 1103109840 /nfs/dbraw/zinc/10/98/40/1103109840.db2.gz WTPRDXYBMGAITD-KURKYZTESA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258715875 1103513374 /nfs/dbraw/zinc/51/33/74/1103513374.db2.gz NCXNXIMVPMNEFL-HOTGVXAUSA-N 2 0 300.487 3.099 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCc1ccc(C[NH3+])cc1 ZINC001246019956 1104353763 /nfs/dbraw/zinc/35/37/63/1104353763.db2.gz QFRLFENSZANRMW-LJQANCHMSA-N 2 0 304.478 3.165 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246035527 1104356488 /nfs/dbraw/zinc/35/64/88/1104356488.db2.gz SNZGGJREWATIQI-CEXWTWQISA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246035533 1104356526 /nfs/dbraw/zinc/35/65/26/1104356526.db2.gz SNZGGJREWATIQI-QYZOEREBSA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246039516 1104358180 /nfs/dbraw/zinc/35/81/80/1104358180.db2.gz NEHHQIXEYYRGSI-OKZBNKHCSA-N 2 0 314.489 3.121 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246054888 1104360836 /nfs/dbraw/zinc/36/08/36/1104360836.db2.gz LCTUBSIPSXUHTE-LJQANCHMSA-N 2 0 320.452 3.015 20 30 DGEDRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001246094919 1104382024 /nfs/dbraw/zinc/38/20/24/1104382024.db2.gz AQTROHOMSOJGOL-NXMBOHNASA-N 2 0 311.473 3.226 20 30 DGEDRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246114262 1104393066 /nfs/dbraw/zinc/39/30/66/1104393066.db2.gz VGQVLHGALXGAQX-BEEJXANESA-N 2 0 311.473 3.368 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246260884 1104464249 /nfs/dbraw/zinc/46/42/49/1104464249.db2.gz BVIUHBCTHJVDJH-SFTDATJTSA-N 2 0 304.437 3.121 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH2+]CCOCCOCC[NH3+] ZINC001246281857 1104472275 /nfs/dbraw/zinc/47/22/75/1104472275.db2.gz AJMMXYHYRMLWCG-KRWDZBQOSA-N 2 0 302.503 3.097 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001246326277 1104491032 /nfs/dbraw/zinc/49/10/32/1104491032.db2.gz FIVWIPXBHZRKHJ-IAGOWNOFSA-N 2 0 312.498 3.256 20 30 DGEDRP CC[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331466 1104494579 /nfs/dbraw/zinc/49/45/79/1104494579.db2.gz XHCYHZXTFLVJRE-BCDXTJNWSA-N 2 0 315.461 3.226 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+]C1(CC(=O)OC)CC[NH2+]CC1 ZINC001246366090 1104511706 /nfs/dbraw/zinc/51/17/06/1104511706.db2.gz QGXSIIDTYUJISH-MRXNPFEDSA-N 2 0 312.498 3.400 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246394340 1104523847 /nfs/dbraw/zinc/52/38/47/1104523847.db2.gz YCKODYOMZXKPNO-BVGQSLNGSA-N 2 0 301.409 3.148 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246394341 1104524750 /nfs/dbraw/zinc/52/47/50/1104524750.db2.gz YCKODYOMZXKPNO-FSPWUOQZSA-N 2 0 301.409 3.148 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001274973991 1104564916 /nfs/dbraw/zinc/56/49/16/1104564916.db2.gz APNDYAMUBVKADI-UHFFFAOYSA-N 2 0 316.493 3.027 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246615378 1104630069 /nfs/dbraw/zinc/63/00/69/1104630069.db2.gz SQLPHRJFXJRRKD-MHJFOBGBSA-N 2 0 309.457 3.412 20 30 DGEDRP CCCCCCC[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275131307 1104636725 /nfs/dbraw/zinc/63/67/25/1104636725.db2.gz OUZHCSNWTBYRJI-UHFFFAOYSA-N 2 0 318.509 3.251 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246643655 1104637872 /nfs/dbraw/zinc/63/78/72/1104637872.db2.gz CBFNRUVRZFSMAL-QRVBRYPASA-N 2 0 310.526 3.419 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246807615 1104684044 /nfs/dbraw/zinc/68/40/44/1104684044.db2.gz SSERQSYNSLFTQG-HXUWFJFHSA-N 2 0 323.484 3.487 20 30 DGEDRP CCCCCCC[C@H](C)[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001246810853 1104685727 /nfs/dbraw/zinc/68/57/27/1104685727.db2.gz CCVZXPSUFPPZTO-SFHVURJKSA-N 2 0 309.542 3.495 20 30 DGEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c[nH]c4c3cccc4C#N)(C1)CCC2 ZINC001275368121 1104739023 /nfs/dbraw/zinc/73/90/23/1104739023.db2.gz RFRFJRUJQOPBHF-RBUKOAKNSA-N 2 0 308.429 3.194 20 30 DGEDRP C[NH+](C)CCCC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254343133 1106056792 /nfs/dbraw/zinc/05/67/92/1106056792.db2.gz YNZXUGMLXATFAU-UHFFFAOYSA-N 2 0 317.452 3.461 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254346922 1106057302 /nfs/dbraw/zinc/05/73/02/1106057302.db2.gz UIZQPXIUKDFMQX-BKVYNOPKSA-N 2 0 315.436 3.389 20 30 DGEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254652916 1106123335 /nfs/dbraw/zinc/12/33/35/1106123335.db2.gz IFPYMSLKELWMCU-RSPOEFSDSA-N 2 0 311.473 3.426 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254657185 1106124385 /nfs/dbraw/zinc/12/43/85/1106124385.db2.gz OEOXMLKSKWWXGD-LEAZDLGRSA-N 2 0 322.456 3.322 20 30 DGEDRP CC[NH+](CC)CC[C@H](C)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001255951250 1106348160 /nfs/dbraw/zinc/34/81/60/1106348160.db2.gz OTNANBRCGXSBRB-HNNXBMFYSA-N 2 0 312.461 3.307 20 30 DGEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731015 1106937042 /nfs/dbraw/zinc/93/70/42/1106937042.db2.gz TZCSMCAFAULEOM-NZSAHSFTSA-N 2 0 306.494 3.164 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](CC)C[C@H](C)CC)CC1 ZINC001258796569 1106982188 /nfs/dbraw/zinc/98/21/88/1106982188.db2.gz DIACRRLHIRKFCB-UXHICEINSA-N 2 0 321.553 3.493 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)N/C(C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001258907452 1107056070 /nfs/dbraw/zinc/05/60/70/1107056070.db2.gz QJVHNIWJSHMYSK-MRXNPFEDSA-N 3 0 318.509 3.164 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278552766 214232183 /nfs/dbraw/zinc/23/21/83/214232183.db2.gz VYYZJONJLGUAIT-MRXNPFEDSA-N 2 0 312.457 3.224 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189960659 186255463 /nfs/dbraw/zinc/25/54/63/186255463.db2.gz XGUFHVPGVHKZOR-JENIJYKNSA-N 2 0 316.489 3.060 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000449230726 240079063 /nfs/dbraw/zinc/07/90/63/240079063.db2.gz BGMXZINDQLJTLH-PXNSSMCTSA-N 2 0 316.489 3.478 20 30 DGEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000245895135 296122229 /nfs/dbraw/zinc/12/22/29/296122229.db2.gz MXAPHMMMCURAHM-BRWVUGGUSA-N 2 0 315.461 3.098 20 30 DGEDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859685 533524011 /nfs/dbraw/zinc/52/40/11/533524011.db2.gz NAFOHMYYLHNHRZ-OIISXLGYSA-N 2 0 301.434 3.112 20 30 DGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000596097491 400316286 /nfs/dbraw/zinc/31/62/86/400316286.db2.gz YCAOIVITJQTIEY-FXAWDEMLSA-N 2 0 309.457 3.257 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575286 400501627 /nfs/dbraw/zinc/50/16/27/400501627.db2.gz SBUYLFQACSDPKF-MSOLQXFVSA-N 2 0 321.509 3.043 20 30 DGEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000602656165 400527673 /nfs/dbraw/zinc/52/76/73/400527673.db2.gz WPKKWSAFYFZPSU-MRXNPFEDSA-N 2 0 315.461 3.189 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593321244 400818130 /nfs/dbraw/zinc/81/81/30/400818130.db2.gz GYGKYBGIQOQNHW-LJQANCHMSA-N 2 0 309.388 3.323 20 30 DGEDRP C=C(C)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181643765 400890219 /nfs/dbraw/zinc/89/02/19/400890219.db2.gz FBSXSPJCYUWPMF-OAHLLOKOSA-N 2 0 305.441 3.194 20 30 DGEDRP Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000599335341 401025000 /nfs/dbraw/zinc/02/50/00/401025000.db2.gz SRKHJWVGMBMJIM-XLIONFOSSA-N 2 0 309.457 3.315 20 30 DGEDRP N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000192121974 165283025 /nfs/dbraw/zinc/28/30/25/165283025.db2.gz YCMLQHGKHAXYCD-APWZRJJASA-N 2 0 313.420 3.146 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000247029739 432194331 /nfs/dbraw/zinc/19/43/31/432194331.db2.gz MDTVLADZAXHYBN-GUDVDZBRSA-N 2 0 307.526 3.005 20 30 DGEDRP C[NH+](C)CCOc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174277324 228288773 /nfs/dbraw/zinc/28/87/73/228288773.db2.gz IVWPYBCHDWAEQD-UHFFFAOYSA-N 2 0 303.450 3.047 20 30 DGEDRP N#Cc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968079 271104456 /nfs/dbraw/zinc/10/44/56/271104456.db2.gz WNVBYMOTVFKMBI-QZTJIDSGSA-N 2 0 321.424 3.105 20 30 DGEDRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000298359957 278336625 /nfs/dbraw/zinc/33/66/25/278336625.db2.gz KDFNBLLNZSGOCA-OAHLLOKOSA-N 2 0 306.413 3.273 20 30 DGEDRP C=CCSCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271483585 432405340 /nfs/dbraw/zinc/40/53/40/432405340.db2.gz NVNVHYCGMDCLAY-OAHLLOKOSA-N 2 0 308.491 3.197 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)c1 ZINC000272381279 432492142 /nfs/dbraw/zinc/49/21/42/432492142.db2.gz JGHKAASJUZALBN-UHFFFAOYSA-N 2 0 302.466 3.269 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@H](C)C1 ZINC000177821590 432665237 /nfs/dbraw/zinc/66/52/37/432665237.db2.gz CMKZGPHQIKXLKR-QAPCUYQASA-N 2 0 317.502 3.111 20 30 DGEDRP C=CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000279028711 432927142 /nfs/dbraw/zinc/92/71/42/432927142.db2.gz BFJCRROXRGKDRQ-UHFFFAOYSA-N 2 0 301.478 3.273 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000341097829 432959678 /nfs/dbraw/zinc/95/96/78/432959678.db2.gz BEEJGRDNHFMINA-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP C[NH+]1CCC(N(Cc2ccco2)Cc2cccc(C#N)c2)CC1 ZINC000290486711 433066947 /nfs/dbraw/zinc/06/69/47/433066947.db2.gz OHYQOYFDWYPZFD-UHFFFAOYSA-N 2 0 309.413 3.248 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420300123 433155455 /nfs/dbraw/zinc/15/54/55/433155455.db2.gz HFJBVBCPIYTOJU-LJQANCHMSA-N 2 0 310.441 3.426 20 30 DGEDRP C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000414168787 433437098 /nfs/dbraw/zinc/43/70/98/433437098.db2.gz RCGYYYAABUVHNT-OAHLLOKOSA-N 2 0 303.450 3.217 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785390 433836343 /nfs/dbraw/zinc/83/63/43/433836343.db2.gz SOSCUMVICKYRAH-ZWKOTPCHSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414856169 433885403 /nfs/dbraw/zinc/88/54/03/433885403.db2.gz NZXBNNMWCRGRCE-DZGCQCFKSA-N 2 0 308.853 3.383 20 30 DGEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC(C)CC1)c1ccccc1 ZINC000304018911 433980142 /nfs/dbraw/zinc/98/01/42/433980142.db2.gz XJQLXVURTLBKSE-MRXNPFEDSA-N 2 0 316.493 3.162 20 30 DGEDRP CCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367022441 434535422 /nfs/dbraw/zinc/53/54/22/434535422.db2.gz SXWWSYDZVCMMLN-RBUKOAKNSA-N 2 0 309.542 3.305 20 30 DGEDRP CCn1cncc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000417966342 434557159 /nfs/dbraw/zinc/55/71/59/434557159.db2.gz JEUZHCTYXQGUFD-UHFFFAOYSA-N 2 0 307.319 3.063 20 30 DGEDRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425300 435075781 /nfs/dbraw/zinc/07/57/81/435075781.db2.gz MIRBKYXYXYOKTF-LAUBAEHRSA-N 2 0 319.452 3.211 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000516702099 435547232 /nfs/dbraw/zinc/54/72/32/435547232.db2.gz KUUXISYJOHSTHO-SJLPKXTDSA-N 2 0 312.461 3.040 20 30 DGEDRP N#Cc1ccccc1OC1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000516861347 435556229 /nfs/dbraw/zinc/55/62/29/435556229.db2.gz RSAKODHJOZYTBR-UHFFFAOYSA-N 2 0 313.445 3.108 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000651723747 435805394 /nfs/dbraw/zinc/80/53/94/435805394.db2.gz ZZZJXAIRXQMBEQ-RTBURBONSA-N 2 0 319.537 3.271 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000651723744 435805423 /nfs/dbraw/zinc/80/54/23/435805423.db2.gz ZZZJXAIRXQMBEQ-MOPGFXCFSA-N 2 0 319.537 3.271 20 30 DGEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000665236985 435925314 /nfs/dbraw/zinc/92/53/14/435925314.db2.gz XSWZQLKLQJACBE-OKZBNKHCSA-N 2 0 306.494 3.260 20 30 DGEDRP C=CCOc1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812919 436313748 /nfs/dbraw/zinc/31/37/48/436313748.db2.gz WYRHJOYLIOYPPU-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000563154303 333398156 /nfs/dbraw/zinc/39/81/56/333398156.db2.gz LZKCQBSCFLMJSH-LJQANCHMSA-N 2 0 309.413 3.289 20 30 DGEDRP C[NH+](C)CCC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156300054 341619517 /nfs/dbraw/zinc/61/95/17/341619517.db2.gz RYPLSSKEBLISSW-UHFFFAOYSA-N 2 0 304.865 3.355 20 30 DGEDRP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435437297 526864276 /nfs/dbraw/zinc/86/42/76/526864276.db2.gz KBXXDVIYHWOHRK-HNNXBMFYSA-N 2 0 308.853 3.479 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181699675 529024927 /nfs/dbraw/zinc/02/49/27/529024927.db2.gz IWVVXWQFBLWFCZ-DLBZAZTESA-N 2 0 315.461 3.360 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324498 574615734 /nfs/dbraw/zinc/61/57/34/574615734.db2.gz GDJMOJYDPWHPCQ-HDICACEKSA-N 2 0 314.473 3.156 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000729682722 575260238 /nfs/dbraw/zinc/26/02/38/575260238.db2.gz AWNCBDLMFIXWDH-SJLPKXTDSA-N 2 0 315.461 3.187 20 30 DGEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)cc1 ZINC000104168411 617962681 /nfs/dbraw/zinc/96/26/81/617962681.db2.gz JGWXKGCHFYPNOL-UHFFFAOYSA-N 2 0 318.465 3.076 20 30 DGEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921543164 620905379 /nfs/dbraw/zinc/90/53/79/620905379.db2.gz OUDLGBIDAWHMTJ-GJZGRUSLSA-N 2 0 305.491 3.467 20 30 DGEDRP CSC1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CC[NH+](C)CC1 ZINC000922139673 620994408 /nfs/dbraw/zinc/99/44/08/620994408.db2.gz QSOMPVDXTJJRQU-UHFFFAOYSA-N 2 0 317.502 3.092 20 30 DGEDRP CC(C)(C)[C@@]1(C=[NH+]n2cnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000857206358 621068488 /nfs/dbraw/zinc/06/84/88/621068488.db2.gz MMRUDMGMHFCORF-GOSISDBHSA-N 2 0 311.433 3.050 20 30 DGEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000922847365 621108121 /nfs/dbraw/zinc/10/81/21/621108121.db2.gz NQKPFDJPHSEMSE-UHFFFAOYSA-N 2 0 301.409 3.194 20 30 DGEDRP CCCCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000755235013 621560130 /nfs/dbraw/zinc/56/01/30/621560130.db2.gz GKDXVWRIDLGSSK-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)(c2ccccc2)CC1 ZINC000865774001 621992767 /nfs/dbraw/zinc/99/27/67/621992767.db2.gz MFIHPBRFJBXYRY-UHFFFAOYSA-N 2 0 319.452 3.311 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259545 622077994 /nfs/dbraw/zinc/07/79/94/622077994.db2.gz CIURZOLSWIOAIW-HUUCEWRRSA-N 2 0 301.434 3.035 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000768927318 622485808 /nfs/dbraw/zinc/48/58/08/622485808.db2.gz SSVYEZUQEJWKIZ-UHFFFAOYSA-N 2 0 314.473 3.251 20 30 DGEDRP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769470256 622530510 /nfs/dbraw/zinc/53/05/10/622530510.db2.gz JTQMGSRAFULLGW-IEBWSBKVSA-N 2 0 314.473 3.393 20 30 DGEDRP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769470255 622530850 /nfs/dbraw/zinc/53/08/50/622530850.db2.gz JTQMGSRAFULLGW-HKUYNNGSSA-N 2 0 314.473 3.393 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000873150542 623050739 /nfs/dbraw/zinc/05/07/39/623050739.db2.gz MAGVKGOOUKBUCJ-UHFFFAOYSA-N 2 0 303.425 3.297 20 30 DGEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244246 623089699 /nfs/dbraw/zinc/08/96/99/623089699.db2.gz KORXFSXIPJGGPE-ZBFHGGJFSA-N 2 0 301.434 3.018 20 30 DGEDRP C#CCCCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774538 623702886 /nfs/dbraw/zinc/70/28/86/623702886.db2.gz YXHHQXPBVIBNSR-UHFFFAOYSA-N 2 0 306.494 3.147 20 30 DGEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718345 624004111 /nfs/dbraw/zinc/00/41/11/624004111.db2.gz IQFYBYZEMUJGLI-IEBWSBKVSA-N 2 0 311.473 3.322 20 30 DGEDRP CC(C)C[N@@H+](Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877767522 624028724 /nfs/dbraw/zinc/02/87/24/624028724.db2.gz LXFVWKOWOZQNTO-UHFFFAOYSA-N 2 0 305.491 3.420 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000784671682 624568457 /nfs/dbraw/zinc/56/84/57/624568457.db2.gz SOWJMZPVBINEGR-QGZVFWFLSA-N 2 0 300.446 3.053 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000883194683 625965391 /nfs/dbraw/zinc/96/53/91/625965391.db2.gz ALZFMZMZWOTJTC-MOPGFXCFSA-N 2 0 306.494 3.497 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000799178187 626277790 /nfs/dbraw/zinc/27/77/90/626277790.db2.gz HIEMUKBFCFHAMA-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000886647844 627180154 /nfs/dbraw/zinc/18/01/54/627180154.db2.gz DLXICUDHQLPGSB-NYLDSWQDSA-N 2 0 323.484 3.412 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817415969 627896951 /nfs/dbraw/zinc/89/69/51/627896951.db2.gz DGEFRRWOYRXZCX-UHFFFAOYSA-N 2 0 320.864 3.314 20 30 DGEDRP COc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000926449528 627897444 /nfs/dbraw/zinc/89/74/44/627897444.db2.gz OZCXNQCKLNIXMH-HNNXBMFYSA-N 2 0 323.440 3.479 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000827566633 628971304 /nfs/dbraw/zinc/97/13/04/628971304.db2.gz XBXCTJSLSCOBIY-VDGAXYAQSA-N 2 0 318.505 3.048 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000834902464 629803724 /nfs/dbraw/zinc/80/37/24/629803724.db2.gz IMVPOQDTQQPOHI-QGZVFWFLSA-N 2 0 322.452 3.459 20 30 DGEDRP N#CC1CC[NH+](CCCCCC[NH+]2CCC(C#N)CC2)CC1 ZINC000105570214 630746250 /nfs/dbraw/zinc/74/62/50/630746250.db2.gz IBZUXMUDGGEEAX-UHFFFAOYSA-N 2 0 302.466 3.018 20 30 DGEDRP c1cn(CCCN=NC2CCCC[C@H]2[NH+]2CCCCCC2)cn1 ZINC000848418964 631658235 /nfs/dbraw/zinc/65/82/35/631658235.db2.gz WKEGZDZSYOQNBY-GOSISDBHSA-N 2 0 317.481 3.037 20 30 DGEDRP C[N@H+](CC[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849067101 631824998 /nfs/dbraw/zinc/82/49/98/631824998.db2.gz YXTJURVKAOJDFD-UHFFFAOYSA-N 2 0 300.450 3.035 20 30 DGEDRP C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C[NH+](C)C ZINC000849102297 631835403 /nfs/dbraw/zinc/83/54/03/631835403.db2.gz DSEIGPPVGJDCTR-INIZCTEOSA-N 2 0 302.466 3.138 20 30 DGEDRP C[NH+](C)C(C)(C)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303775081 657560215 /nfs/dbraw/zinc/56/02/15/657560215.db2.gz GPKWWTCBQXXEIK-UHFFFAOYSA-N 2 0 302.466 3.281 20 30 DGEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000303785422 657564018 /nfs/dbraw/zinc/56/40/18/657564018.db2.gz QIFRFINAFIOORV-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000303869487 657567772 /nfs/dbraw/zinc/56/77/72/657567772.db2.gz AYIGHEYABVEVCQ-UHFFFAOYSA-N 2 0 310.445 3.237 20 30 DGEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)c1 ZINC000303874331 657570149 /nfs/dbraw/zinc/57/01/49/657570149.db2.gz DACOARICCGQNPE-MRXNPFEDSA-N 2 0 316.493 3.075 20 30 DGEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])NC(C)(C)C)c2ccccc2)CC1 ZINC000303886485 657571501 /nfs/dbraw/zinc/57/15/01/657571501.db2.gz NVKZFFGPUBFXMG-KRWDZBQOSA-N 2 0 316.493 3.162 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303882709 657572119 /nfs/dbraw/zinc/57/21/19/657572119.db2.gz IIISFKROFIPHLR-HOTGVXAUSA-N 2 0 302.466 3.293 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000303888537 657572734 /nfs/dbraw/zinc/57/27/34/657572734.db2.gz LMUSREKPQNRHKW-HZPDHXFCSA-N 2 0 302.466 3.293 20 30 DGEDRP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303891845 657573077 /nfs/dbraw/zinc/57/30/77/657573077.db2.gz QXSDYZHCZXMSKW-SFHVURJKSA-N 2 0 316.493 3.020 20 30 DGEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCC(C)CC1 ZINC000303898099 657575462 /nfs/dbraw/zinc/57/54/62/657575462.db2.gz VJBCMKOPMHZSAC-OAHLLOKOSA-N 2 0 314.477 3.022 20 30 DGEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303900995 657577012 /nfs/dbraw/zinc/57/70/12/657577012.db2.gz XAOTYXAHMMFSMW-SJORKVTESA-N 2 0 310.530 3.226 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303905541 657578572 /nfs/dbraw/zinc/57/85/72/657578572.db2.gz VRACBGZIKITSCM-MRXNPFEDSA-N 2 0 316.493 3.075 20 30 DGEDRP C[NH+]=C(NCCC1=CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262478487 657599399 /nfs/dbraw/zinc/59/93/99/657599399.db2.gz QRVRDAZNFJOBTB-SFHVURJKSA-N 2 0 318.509 3.013 20 30 DGEDRP CC(C)CNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304739151 657645715 /nfs/dbraw/zinc/64/57/15/657645715.db2.gz BBUQUDKHDNQXKX-MRXNPFEDSA-N 2 0 316.493 3.210 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C)c1 ZINC000304814780 657655098 /nfs/dbraw/zinc/65/50/98/657655098.db2.gz ZZVCARFDLZCPBH-UHFFFAOYSA-N 2 0 304.482 3.485 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157390330 659055980 /nfs/dbraw/zinc/05/59/80/659055980.db2.gz LXXRPOVGHLQHOV-QGZVFWFLSA-N 2 0 316.493 3.344 20 30 DGEDRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001578571448 1191948041 /nfs/dbraw/zinc/94/80/41/1191948041.db2.gz OIQFWIQZOKDISU-MRXNPFEDSA-N 2 0 323.440 3.225 20 30 DGEDRP Clc1ccc(C#CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC001579938107 1191999800 /nfs/dbraw/zinc/99/98/00/1191999800.db2.gz OUGSHGGZQRWWAG-SFHVURJKSA-N 2 0 302.849 3.156 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1F ZINC001580075924 1192006156 /nfs/dbraw/zinc/00/61/56/1192006156.db2.gz KUKHCLZRDVUVBT-HNNXBMFYSA-N 2 0 315.436 3.299 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001341634612 1179041318 /nfs/dbraw/zinc/04/13/18/1179041318.db2.gz QSFBGKXKDVDNIW-MSOLQXFVSA-N 2 0 323.525 3.055 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001343286438 1179252020 /nfs/dbraw/zinc/25/20/20/1179252020.db2.gz OMRXKQIXZRGLGY-WWDZGPRUSA-N 2 0 319.493 3.082 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001343505918 1179288241 /nfs/dbraw/zinc/28/82/41/1179288241.db2.gz OXJLQLLMSTYBQP-KRWDZBQOSA-N 2 0 303.450 3.306 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001461069338 1182764248 /nfs/dbraw/zinc/76/42/48/1182764248.db2.gz VCOLIXTWXWTGGR-AEFFLSMTSA-N 2 0 302.462 3.461 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCOc1cccc(C#N)c1 ZINC001473748983 1183796791 /nfs/dbraw/zinc/79/67/91/1183796791.db2.gz GBJVNNRZTDDODE-UHFFFAOYSA-N 2 0 315.461 3.135 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001502147388 1185962988 /nfs/dbraw/zinc/96/29/88/1185962988.db2.gz IHAOCUIQHLIVPV-SFHVURJKSA-N 2 0 323.525 3.023 20 30 DGEDRP N#C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001654830891 1195845240 /nfs/dbraw/zinc/84/52/40/1195845240.db2.gz VCVUWNKUHSQPGE-YRPNKDGESA-N 2 0 309.457 3.133 20 30 DGEDRP C=CCOCCC[NH2+][C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001659674862 1196405384 /nfs/dbraw/zinc/40/53/84/1196405384.db2.gz XOVJNWMOFYCKAE-PKOBYXMFSA-N 2 0 302.462 3.222 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](CC#Cc1ccccc1Cl)CC2 ZINC001659720641 1196409141 /nfs/dbraw/zinc/40/91/41/1196409141.db2.gz ZZQOOWUJOVVFMZ-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP C=C(CC)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001662652411 1196737264 /nfs/dbraw/zinc/73/72/64/1196737264.db2.gz NHULGQUGBOADRC-UHFFFAOYSA-N 2 0 301.478 3.274 20 30 DGEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304681376 1199669127 /nfs/dbraw/zinc/66/91/27/1199669127.db2.gz OWBUBMYDGXVMFZ-HNNXBMFYSA-N 2 0 314.477 3.024 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692333995 1201023759 /nfs/dbraw/zinc/02/37/59/1201023759.db2.gz QMNLGSIUFNTOQH-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707242309 1202578011 /nfs/dbraw/zinc/57/80/11/1202578011.db2.gz VHQHAMSIYPMNFS-QZTJIDSGSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001734012395 1205288312 /nfs/dbraw/zinc/28/83/12/1205288312.db2.gz XTANIZKUEKSKAA-ABHNRTSZSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCCCC[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001209429152 1081745917 /nfs/dbraw/zinc/74/59/17/1081745917.db2.gz VYHJREDMJHCHPM-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170091600 1082071461 /nfs/dbraw/zinc/07/14/61/1082071461.db2.gz UIMGYTROFBRJAZ-HXUWFJFHSA-N 2 0 321.553 3.493 20 30 DGEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170359461 1082351729 /nfs/dbraw/zinc/35/17/29/1082351729.db2.gz YYWJDLJEOCUXSC-XEVCZEQESA-N 2 0 311.473 3.464 20 30 DGEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170394830 1082360343 /nfs/dbraw/zinc/36/03/43/1082360343.db2.gz BZGMWQCDCABGDG-WCHWRFHJSA-N 2 0 323.484 3.274 20 30 DGEDRP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420067 1082903697 /nfs/dbraw/zinc/90/36/97/1082903697.db2.gz MHVQTCQTYZPDHH-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186411996 1084642160 /nfs/dbraw/zinc/64/21/60/1084642160.db2.gz GRWWFEJMPNYJKM-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186411995 1084642612 /nfs/dbraw/zinc/64/26/12/1084642612.db2.gz GRWWFEJMPNYJKM-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153818807 1088372583 /nfs/dbraw/zinc/37/25/83/1088372583.db2.gz BDICMZAHDVMNMF-MSOLQXFVSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619924 1089188242 /nfs/dbraw/zinc/18/82/42/1089188242.db2.gz CIKQKXAXJLFXQZ-MSOLQXFVSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961343 1089762811 /nfs/dbraw/zinc/76/28/11/1089762811.db2.gz NQYNIRCQLPZIKI-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001486466062 1090846977 /nfs/dbraw/zinc/84/69/77/1090846977.db2.gz MASVYJRUACVNMG-DAWZGUTISA-N 2 0 323.525 3.020 20 30 DGEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001204359683 1090955767 /nfs/dbraw/zinc/95/57/67/1090955767.db2.gz QIZPBIQVRMMLGK-PMACEKPBSA-N 2 0 311.473 3.490 20 30 DGEDRP C[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205136290 1091111113 /nfs/dbraw/zinc/11/11/13/1091111113.db2.gz WBAOPXWZJMMGTA-LAUBAEHRSA-N 2 0 304.437 3.113 20 30 DGEDRP C=CCc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC001138627866 1091260670 /nfs/dbraw/zinc/26/06/70/1091260670.db2.gz HFMZYYCHKSWACL-UHFFFAOYSA-N 2 0 300.446 3.038 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001138664314 1091278856 /nfs/dbraw/zinc/27/88/56/1091278856.db2.gz MRUSIGRBWVABLN-UHFFFAOYSA-N 2 0 302.462 3.415 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205992985 1091440207 /nfs/dbraw/zinc/44/02/07/1091440207.db2.gz GPZODPSIETZKHI-IAGOWNOFSA-N 2 0 302.462 3.448 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001207326755 1091925536 /nfs/dbraw/zinc/92/55/36/1091925536.db2.gz SARWDOGJVWZXGH-SFHVURJKSA-N 2 0 301.478 3.273 20 30 DGEDRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C1 ZINC001208607532 1092423751 /nfs/dbraw/zinc/42/37/51/1092423751.db2.gz BMJYEQWVQWKCDR-HXUWFJFHSA-N 2 0 311.473 3.155 20 30 DGEDRP SC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208939145 1092599528 /nfs/dbraw/zinc/59/95/28/1092599528.db2.gz GGFXARMHFBHFRB-QGZVFWFLSA-N 2 0 304.503 3.293 20 30 DGEDRP C=CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001209158451 1092676366 /nfs/dbraw/zinc/67/63/66/1092676366.db2.gz PABRXAMYPKQUDH-UHFFFAOYSA-N 2 0 320.502 3.381 20 30 DGEDRP C=CCc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c1O ZINC001276684486 1093174204 /nfs/dbraw/zinc/17/42/04/1093174204.db2.gz GESLSYPWTKXAGP-MOPGFXCFSA-N 2 0 300.446 3.275 20 30 DGEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634732 1093236784 /nfs/dbraw/zinc/23/67/84/1093236784.db2.gz SCGUUGALENSFIJ-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+]2CCCC2)cc1 ZINC000303790367 1093848319 /nfs/dbraw/zinc/84/83/19/1093848319.db2.gz WCVDOECSXYYMCN-QGZVFWFLSA-N 2 0 302.466 3.232 20 30 DGEDRP C=CCCC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033010 1094357588 /nfs/dbraw/zinc/35/75/88/1094357588.db2.gz QQGFIQJWJLWEOX-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP N#CC1(c2ccccc2)CC(NC2CC[NH+](C3CCC3)CC2)C1 ZINC001338632362 1095349295 /nfs/dbraw/zinc/34/92/95/1095349295.db2.gz VUMSKIFDSUXOQE-UHFFFAOYSA-N 2 0 309.457 3.217 20 30 DGEDRP C=CCCCCCCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491686 1095639152 /nfs/dbraw/zinc/63/91/52/1095639152.db2.gz GWMVZRXFPPVIIU-OALUTQOASA-N 2 0 307.526 3.319 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340106899 1095864522 /nfs/dbraw/zinc/86/45/22/1095864522.db2.gz WOVMFPBWTBPXAS-ZWKOTPCHSA-N 2 0 323.525 3.009 20 30 DGEDRP C=CCO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001117931781 1095902547 /nfs/dbraw/zinc/90/25/47/1095902547.db2.gz GFDZUKPQLQPQKX-HXUWFJFHSA-N 2 0 314.473 3.449 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171245659 1095913455 /nfs/dbraw/zinc/91/34/55/1095913455.db2.gz ALXVYUWAIBHMIR-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001341148417 1096123363 /nfs/dbraw/zinc/12/33/63/1096123363.db2.gz LJSAYOGSQZGKLU-IAGOWNOFSA-N 2 0 323.525 3.055 20 30 DGEDRP CCCC[NH+](CCCC)CCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224754774 1096278769 /nfs/dbraw/zinc/27/87/69/1096278769.db2.gz FJAGXPBSRMRDMR-GOSISDBHSA-N 2 0 312.522 3.284 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330695 1096362219 /nfs/dbraw/zinc/36/22/19/1096362219.db2.gz ULWFOLPFSGTMPT-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171930497 1097010759 /nfs/dbraw/zinc/01/07/59/1097010759.db2.gz PVMRRVKSVLHTOU-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001172313017 1097098353 /nfs/dbraw/zinc/09/83/53/1097098353.db2.gz NQKULSLBUVQXEN-QGZVFWFLSA-N 2 0 320.440 3.015 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001172297483 1097109099 /nfs/dbraw/zinc/10/90/99/1097109099.db2.gz FHSMIPRSXCKOGX-INIZCTEOSA-N 2 0 320.440 3.143 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001172349500 1097121425 /nfs/dbraw/zinc/12/14/25/1097121425.db2.gz DJECESUTIHKZBA-BRSBDYLESA-N 2 0 314.514 3.440 20 30 DGEDRP C[C@H](CCCC#N)[NH2+]CCCP(CCC[NH3+])c1ccccc1 ZINC001172491461 1097168204 /nfs/dbraw/zinc/16/82/04/1097168204.db2.gz HBKHLBZJKURZFB-PLEWWHCXSA-N 2 0 319.433 3.205 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229231146 1097279941 /nfs/dbraw/zinc/27/99/41/1097279941.db2.gz LZFNPLVGFREOIB-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CC[NH+](CC)C1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001173105067 1097330857 /nfs/dbraw/zinc/33/08/57/1097330857.db2.gz ZLSPUKASBSYQBJ-UHFFFAOYSA-N 2 0 303.425 3.440 20 30 DGEDRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337345 1097421613 /nfs/dbraw/zinc/42/16/13/1097421613.db2.gz ILMWIIBOJBSDRW-FAFZWHIHSA-N 2 0 319.493 3.034 20 30 DGEDRP C=CCCCCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107569 1097446302 /nfs/dbraw/zinc/44/63/02/1097446302.db2.gz MACPPRUDGPDIJC-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147792 1097450874 /nfs/dbraw/zinc/45/08/74/1097450874.db2.gz QKCSPFKELKDUCD-QZTJIDSGSA-N 2 0 323.525 3.070 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001231624000 1097794921 /nfs/dbraw/zinc/79/49/21/1097794921.db2.gz FLVUOTKJYIJFCQ-UHFFFAOYSA-N 2 0 323.440 3.277 20 30 DGEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001233082818 1098222842 /nfs/dbraw/zinc/22/28/42/1098222842.db2.gz JBOOXXJNCAMXDT-UHFFFAOYSA-N 2 0 311.473 3.421 20 30 DGEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176111453 1098262984 /nfs/dbraw/zinc/26/29/84/1098262984.db2.gz HZSSTFNYOZGWIS-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176737551 1098416499 /nfs/dbraw/zinc/41/64/99/1098416499.db2.gz KGBBZRKTZPUSRP-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815634 1098439828 /nfs/dbraw/zinc/43/98/28/1098439828.db2.gz SCGZEXUDPQOVPZ-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235040644 1098765785 /nfs/dbraw/zinc/76/57/85/1098765785.db2.gz MAXWLDNRFCEOEW-LJQANCHMSA-N 2 0 300.446 3.360 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235132554 1098829254 /nfs/dbraw/zinc/82/92/54/1098829254.db2.gz HSVKPPGTYGYZME-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235154480 1098838866 /nfs/dbraw/zinc/83/88/66/1098838866.db2.gz LYNMBGMJVVLDPI-FQEVSTJZSA-N 2 0 322.456 3.394 20 30 DGEDRP CCc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1C#N ZINC001235157981 1098843764 /nfs/dbraw/zinc/84/37/64/1098843764.db2.gz SUIAMEDKNAAQFD-HXUWFJFHSA-N 2 0 311.473 3.475 20 30 DGEDRP N#Cc1ccc2c(CN3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168750 1098850309 /nfs/dbraw/zinc/85/03/09/1098850309.db2.gz UAUGLGVBGHIWQT-LJQANCHMSA-N 2 0 308.429 3.148 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1)c1ccccc1 ZINC001235185730 1098863203 /nfs/dbraw/zinc/86/32/03/1098863203.db2.gz WXJUQULYYXGLBZ-YADHBBJMSA-N 2 0 316.448 3.128 20 30 DGEDRP CCc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1C#N ZINC001235238523 1098912023 /nfs/dbraw/zinc/91/20/23/1098912023.db2.gz PGNFJCNPDOJNCJ-FQEVSTJZSA-N 2 0 311.473 3.475 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423348 1099016476 /nfs/dbraw/zinc/01/64/76/1099016476.db2.gz GCEAVWXFSMUDNA-HOTGVXAUSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430751 1099024190 /nfs/dbraw/zinc/02/41/90/1099024190.db2.gz XTYASOUMMJKWPY-HZPDHXFCSA-N 2 0 317.864 3.423 20 30 DGEDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001236067674 1099365701 /nfs/dbraw/zinc/36/57/01/1099365701.db2.gz SLINKLLAWRMDDO-OAQYLSRUSA-N 2 0 304.437 3.128 20 30 DGEDRP CCCCCCCCCC[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236079596 1099374547 /nfs/dbraw/zinc/37/45/47/1099374547.db2.gz ONNIQTNGQFQREA-IBGZPJMESA-N 2 0 309.542 3.482 20 30 DGEDRP N#Cc1ccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236369550 1099555437 /nfs/dbraw/zinc/55/54/37/1099555437.db2.gz AKOSDNFNZWCDID-IBGZPJMESA-N 2 0 311.473 3.345 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]12 ZINC001236821475 1099805443 /nfs/dbraw/zinc/80/54/43/1099805443.db2.gz VCQRNQPVEXRXDD-BHDDXSALSA-N 2 0 316.448 3.256 20 30 DGEDRP C=CC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC001236895365 1099858938 /nfs/dbraw/zinc/85/89/38/1099858938.db2.gz YJLADISNVHWYPC-UHFFFAOYSA-N 2 0 301.478 3.225 20 30 DGEDRP Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C[NH+](C)C)c1 ZINC001240361204 1100959065 /nfs/dbraw/zinc/95/90/65/1100959065.db2.gz LDRWSVXNGYQPDP-UHFFFAOYSA-N 2 0 305.425 3.282 20 30 DGEDRP Cc1cc(C#N)ccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242474111 1102155188 /nfs/dbraw/zinc/15/51/88/1102155188.db2.gz IGXHGXZONCMTAW-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C#CCOC[C@@H](O)C[NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C ZINC001251903844 1102204559 /nfs/dbraw/zinc/20/45/59/1102204559.db2.gz PMOOAWHQOOIFQI-HNNXBMFYSA-N 2 0 315.438 3.056 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](CC)CCCC)CC1 ZINC001201572618 1102656955 /nfs/dbraw/zinc/65/69/55/1102656955.db2.gz RQQZKHSDYVYGPE-FQEVSTJZSA-N 2 0 321.553 3.494 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245979341 1104345152 /nfs/dbraw/zinc/34/51/52/1104345152.db2.gz UOKZVXLGYBEMGZ-ZSYWTGECSA-N 2 0 310.526 3.323 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245978992 1104346222 /nfs/dbraw/zinc/34/62/22/1104346222.db2.gz RAOSLFDKDMTPRO-WJFTUGDTSA-N 2 0 308.510 3.099 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246018038 1104353743 /nfs/dbraw/zinc/35/37/43/1104353743.db2.gz LMGPSECBXATIGV-FCGDIQPGSA-N 2 0 308.510 3.242 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246025438 1104355300 /nfs/dbraw/zinc/35/53/00/1104355300.db2.gz YJNDAAWPTFUFBN-IRXDYDNUSA-N 2 0 300.462 3.027 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246021819 1104355484 /nfs/dbraw/zinc/35/54/84/1104355484.db2.gz HHCRWOUVSMQTHD-OALUTQOASA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069955 1104363584 /nfs/dbraw/zinc/36/35/84/1104363584.db2.gz ZTKWKHFFAOEBDD-VAMGGRTRSA-N 2 0 316.489 3.394 20 30 DGEDRP C=CCC[C@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070816 1104365532 /nfs/dbraw/zinc/36/55/32/1104365532.db2.gz VMSHWZZYZJXKQJ-SFHVURJKSA-N 2 0 322.880 3.221 20 30 DGEDRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246122129 1104396324 /nfs/dbraw/zinc/39/63/24/1104396324.db2.gz WEVGOPLHVREWPG-BEEJXANESA-N 2 0 311.473 3.226 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246205971 1104437252 /nfs/dbraw/zinc/43/72/52/1104437252.db2.gz UIZQPXIUKDFMQX-TXQGORRRSA-N 2 0 315.436 3.389 20 30 DGEDRP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246270037 1104466890 /nfs/dbraw/zinc/46/68/90/1104466890.db2.gz ZYUGWZJLQWNQPZ-SFTDATJTSA-N 2 0 304.437 3.121 20 30 DGEDRP CC[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[C@H](CC)[NH2+]1 ZINC001246327835 1104491248 /nfs/dbraw/zinc/49/12/48/1104491248.db2.gz UWAVEZBZRZAKAQ-BCDXTJNWSA-N 2 0 324.472 3.496 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246397060 1104525944 /nfs/dbraw/zinc/52/59/44/1104525944.db2.gz CXZUGEGMORYTFW-JEBQAFNWSA-N 2 0 301.409 3.148 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246478891 1104558492 /nfs/dbraw/zinc/55/84/92/1104558492.db2.gz PSDJGZTYFHLPNS-IAFLDTSXSA-N 2 0 315.436 3.389 20 30 DGEDRP C=CCCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001274975009 1104564562 /nfs/dbraw/zinc/56/45/62/1104564562.db2.gz UFQMCPDQCOJVJX-ZWKOTPCHSA-N 2 0 302.466 3.291 20 30 DGEDRP C=CCCCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001274974021 1104564820 /nfs/dbraw/zinc/56/48/20/1104564820.db2.gz BUUMGSRMORWXPA-LJQANCHMSA-N 2 0 307.526 3.082 20 30 DGEDRP N#Cc1ccc(C2CCC([NH2+][C@@H](C3CC3)C3C[NH2+]C3)CC2)cc1 ZINC001246514567 1104573160 /nfs/dbraw/zinc/57/31/60/1104573160.db2.gz IHYBNMCZKIACAP-GQOXECLESA-N 2 0 309.457 3.172 20 30 DGEDRP CC(C)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001275056409 1104596664 /nfs/dbraw/zinc/59/66/64/1104596664.db2.gz SYNDMUZJBPUCMX-RBUKOAKNSA-N 2 0 314.477 3.077 20 30 DGEDRP CCCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275132124 1104642233 /nfs/dbraw/zinc/64/22/33/1104642233.db2.gz NYEMSNGYGOMLEQ-KDURUIRLSA-N 2 0 309.542 3.447 20 30 DGEDRP CCCCCCCC[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275131651 1104642573 /nfs/dbraw/zinc/64/25/73/1104642573.db2.gz WGDNTUMBANIDKZ-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246663157 1104654694 /nfs/dbraw/zinc/65/46/94/1104654694.db2.gz XAVTZGLPVQNHDK-JXFKEZNVSA-N 2 0 311.473 3.343 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)C1 ZINC001275786740 1104907371 /nfs/dbraw/zinc/90/73/71/1104907371.db2.gz ZTXATVCLWQNYAZ-FQEVSTJZSA-N 2 0 322.456 3.347 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962473 1105126421 /nfs/dbraw/zinc/12/64/21/1105126421.db2.gz SBZDEGZWXCKVEJ-KURKYZTESA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464479 1105627000 /nfs/dbraw/zinc/62/70/00/1105627000.db2.gz YNONZYBMDYDQPJ-KURKYZTESA-N 2 0 323.525 3.019 20 30 DGEDRP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252134842 1105748361 /nfs/dbraw/zinc/74/83/61/1105748361.db2.gz ZKIKXYJARNIHSF-OTWHNJEPSA-N 2 0 310.526 3.372 20 30 DGEDRP C=C[C@@](C)(O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252549412 1105792573 /nfs/dbraw/zinc/79/25/73/1105792573.db2.gz FBQWSGBUAGPVRF-LWYYNNOASA-N 2 0 314.473 3.034 20 30 DGEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001252579242 1105797361 /nfs/dbraw/zinc/79/73/61/1105797361.db2.gz KDGDOBLCINZBCV-SFHVURJKSA-N 2 0 322.880 3.079 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253256263 1105913707 /nfs/dbraw/zinc/91/37/07/1105913707.db2.gz UFUMKYFPJCTECM-OKYOBFRVSA-N 2 0 308.510 3.479 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@@H]2CCSC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255280043 1106214786 /nfs/dbraw/zinc/21/47/86/1106214786.db2.gz ULMTYNQPDGUTBS-KZNAEPCWSA-N 2 0 315.486 3.136 20 30 DGEDRP C/C(N[C@H](C)Cc1ccc(F)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001255867405 1106332902 /nfs/dbraw/zinc/33/29/02/1106332902.db2.gz AMMRAYUIGDXLFZ-CQSZACIVSA-N 2 0 313.420 3.424 20 30 DGEDRP N#CC1CCC([NH+]2CCC(N)(c3cccc(F)c3)CC2)CC1 ZINC001256960329 1106515869 /nfs/dbraw/zinc/51/58/69/1106515869.db2.gz SHIUNKGLMURWCL-UHFFFAOYSA-N 2 0 301.409 3.158 20 30 DGEDRP C=C1C[C@@H]2CC(N3CCO[C@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894139 1106642073 /nfs/dbraw/zinc/64/20/73/1106642073.db2.gz KUFXJBZYWWTQDC-ZZJWQFMZSA-N 2 0 306.494 3.164 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC001258903302 1107051111 /nfs/dbraw/zinc/05/11/11/1107051111.db2.gz PAQTVGCMPXFHQE-INIZCTEOSA-N 2 0 303.450 3.037 20 30 DGEDRP C=C[C@H](COC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001322452025 1107678151 /nfs/dbraw/zinc/67/81/51/1107678151.db2.gz NMXTYVFWRQLNJW-LMDPOFIKSA-N 2 0 302.462 3.220 20 30 DGEDRP COc1cc(C[NH2+]CCCCCCC[NH+](C)C)ccc1C#N ZINC000281453523 216310529 /nfs/dbraw/zinc/31/05/29/216310529.db2.gz AIXXOCOLLCJGEZ-UHFFFAOYSA-N 2 0 303.450 3.169 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000442798332 239128177 /nfs/dbraw/zinc/12/81/77/239128177.db2.gz WKIIKSBVLYINEG-HOTGVXAUSA-N 2 0 303.475 3.242 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000449103946 240017732 /nfs/dbraw/zinc/01/77/32/240017732.db2.gz CMLMVYHAVGDWKN-KRWDZBQOSA-N 2 0 316.493 3.058 20 30 DGEDRP N#Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccc1F ZINC000600782329 400151738 /nfs/dbraw/zinc/15/17/38/400151738.db2.gz PDMJOPQRUMBUTR-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1C#N ZINC000600787795 400153353 /nfs/dbraw/zinc/15/33/53/400153353.db2.gz DTSOQBJMMSMFEZ-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1C#N ZINC000600791185 400155616 /nfs/dbraw/zinc/15/56/16/400155616.db2.gz DPRNHBXIMAXNNC-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595895378 400289396 /nfs/dbraw/zinc/28/93/96/400289396.db2.gz KVTUQQYXEKAPAC-LBPRGKRZSA-N 2 0 311.351 3.138 20 30 DGEDRP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965934 400333758 /nfs/dbraw/zinc/33/37/58/400333758.db2.gz UADMMIZAOUGEKO-YZGWKJHDSA-N 2 0 324.472 3.320 20 30 DGEDRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000590957388 400468818 /nfs/dbraw/zinc/46/88/18/400468818.db2.gz VALFSEPDMSPKSL-HNNXBMFYSA-N 2 0 306.413 3.273 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515448 400484948 /nfs/dbraw/zinc/48/49/48/400484948.db2.gz VMRHVEXDXMAILY-KSZLIROESA-N 2 0 321.509 3.043 20 30 DGEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602536186 400490530 /nfs/dbraw/zinc/49/05/30/400490530.db2.gz QSHZWANWNKZAEW-UHFFFAOYSA-N 2 0 308.429 3.083 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000602536572 400490820 /nfs/dbraw/zinc/49/08/20/400490820.db2.gz HMAKLWOKRGNEGB-GOSISDBHSA-N 2 0 321.509 3.331 20 30 DGEDRP N#CCSCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000074981641 400551903 /nfs/dbraw/zinc/55/19/03/400551903.db2.gz KRFSGKSIEWQCBS-UHFFFAOYSA-N 2 0 309.523 3.221 20 30 DGEDRP C=CCC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000625934261 401259137 /nfs/dbraw/zinc/25/91/37/401259137.db2.gz HHAQMWXWDSMYSW-UHFFFAOYSA-N 2 0 307.526 3.271 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191473551 165253000 /nfs/dbraw/zinc/25/30/00/165253000.db2.gz REGCHVATCWEKRO-UHFFFAOYSA-N 2 0 316.493 3.231 20 30 DGEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)n(C)c2)c1 ZINC000190889639 432199328 /nfs/dbraw/zinc/19/93/28/432199328.db2.gz JXOLUNSRBMTTCM-UHFFFAOYSA-N 2 0 310.445 3.027 20 30 DGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000350328156 266116225 /nfs/dbraw/zinc/11/62/25/266116225.db2.gz MQPZJYVVLDYOOF-QFBILLFUSA-N 2 0 315.461 3.052 20 30 DGEDRP N#Cc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968082 271104587 /nfs/dbraw/zinc/10/45/87/271104587.db2.gz WNVBYMOTVFKMBI-ZWKOTPCHSA-N 2 0 321.424 3.105 20 30 DGEDRP N#CCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000074990241 431449026 /nfs/dbraw/zinc/44/90/26/431449026.db2.gz CTASHSQKNHFXEU-KRWDZBQOSA-N 2 0 309.523 3.221 20 30 DGEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1 ZINC000264109348 432616195 /nfs/dbraw/zinc/61/61/95/432616195.db2.gz QKDYHWYXWPMVQJ-UHFFFAOYSA-N 2 0 322.456 3.164 20 30 DGEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000177821849 432665249 /nfs/dbraw/zinc/66/52/49/432665249.db2.gz OQDMHUKTUVRCPR-IIDMSEBBSA-N 2 0 317.502 3.110 20 30 DGEDRP C=CCSCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274954601 432722451 /nfs/dbraw/zinc/72/24/51/432722451.db2.gz VQDRDFLNSTUJTC-FUHWJXTLSA-N 2 0 304.503 3.406 20 30 DGEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236863150 432769638 /nfs/dbraw/zinc/76/96/38/432769638.db2.gz BEMHSBMHGFIBOR-SFHVURJKSA-N 2 0 315.461 3.191 20 30 DGEDRP COc1ccc(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)cc1 ZINC000267425600 432835061 /nfs/dbraw/zinc/83/50/61/432835061.db2.gz LMLLVMLLFIXREL-UHFFFAOYSA-N 2 0 318.465 3.078 20 30 DGEDRP C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000414162144 433432385 /nfs/dbraw/zinc/43/23/85/433432385.db2.gz GMLJQHAVBJILCZ-OAHLLOKOSA-N 2 0 303.450 3.217 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000293002872 433608367 /nfs/dbraw/zinc/60/83/67/433608367.db2.gz PAALNDHDERDTCM-FQEVSTJZSA-N 2 0 311.473 3.405 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449546973 433750004 /nfs/dbraw/zinc/75/00/04/433750004.db2.gz GDRBJMQCXFMDPD-AITUJVMLSA-N 2 0 306.494 3.353 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449549167 433750508 /nfs/dbraw/zinc/75/05/08/433750508.db2.gz VHOGFSZMSCRWKH-OWYHZJEWSA-N 2 0 306.494 3.353 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449549019 433751038 /nfs/dbraw/zinc/75/10/38/433751038.db2.gz SZKYDUSVUWBWDC-NBYUQASBSA-N 2 0 314.473 3.220 20 30 DGEDRP C=CCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268234 433853005 /nfs/dbraw/zinc/85/30/05/433853005.db2.gz SBFIHDILXVLVNS-UHFFFAOYSA-N 2 0 307.526 3.081 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422903599 434097279 /nfs/dbraw/zinc/09/72/79/434097279.db2.gz FTKHJVSBFYAEDA-RCCFBDPRSA-N 2 0 300.446 3.262 20 30 DGEDRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029575 434177792 /nfs/dbraw/zinc/17/77/92/434177792.db2.gz ILFZLLLNSWIFBT-GJZGRUSLSA-N 2 0 305.425 3.484 20 30 DGEDRP C=CCC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355635 434338241 /nfs/dbraw/zinc/33/82/41/434338241.db2.gz HATRNMJLCAXPRN-IRXDYDNUSA-N 2 0 306.450 3.377 20 30 DGEDRP C=CCC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccco1 ZINC000287355633 434340881 /nfs/dbraw/zinc/34/08/81/434340881.db2.gz HATRNMJLCAXPRN-IAGOWNOFSA-N 2 0 306.450 3.377 20 30 DGEDRP C=CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccco1 ZINC000367618005 434553201 /nfs/dbraw/zinc/55/32/01/434553201.db2.gz OEKMNPLVOXXPAD-FUHWJXTLSA-N 2 0 317.477 3.045 20 30 DGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000583995293 435263861 /nfs/dbraw/zinc/26/38/61/435263861.db2.gz CQUKHDNFSRTBQM-UHFFFAOYSA-N 2 0 309.417 3.092 20 30 DGEDRP COc1cc(C#N)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535040640 435311549 /nfs/dbraw/zinc/31/15/49/435311549.db2.gz XBGBJBMELYTSHK-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000651758566 435818463 /nfs/dbraw/zinc/81/84/63/435818463.db2.gz DZGSKHFUOKPLJR-UXPWSPDFSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786918 436046227 /nfs/dbraw/zinc/04/62/27/436046227.db2.gz XQOUGRNHKQAGMG-LJQANCHMSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662329045 436330482 /nfs/dbraw/zinc/33/04/82/436330482.db2.gz YGDRCFIEBWTBJF-UHFFFAOYSA-N 2 0 302.466 3.022 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658135510 436384932 /nfs/dbraw/zinc/38/49/32/436384932.db2.gz FDBUESLDMNQUDS-VQTJNVASSA-N 2 0 314.473 3.088 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000563351833 315105033 /nfs/dbraw/zinc/10/50/33/315105033.db2.gz BANHSDCNFCCHPL-UHFFFAOYSA-N 2 0 314.477 3.287 20 30 DGEDRP C=CC[C@H]1[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000501876075 340090230 /nfs/dbraw/zinc/09/02/30/340090230.db2.gz SUYIONUVSULNEC-LJQANCHMSA-N 2 0 321.553 3.469 20 30 DGEDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859704 534000456 /nfs/dbraw/zinc/00/04/56/534000456.db2.gz NAFOHMYYLHNHRZ-XIRDDKMYSA-N 2 0 301.434 3.112 20 30 DGEDRP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435437298 526861150 /nfs/dbraw/zinc/86/11/50/526861150.db2.gz KBXXDVIYHWOHRK-OAHLLOKOSA-N 2 0 308.853 3.479 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346856268 526874214 /nfs/dbraw/zinc/87/42/14/526874214.db2.gz VVCWTJRFWWRLFW-UXLLHSPISA-N 2 0 320.864 3.464 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000180732465 526901404 /nfs/dbraw/zinc/90/14/04/526901404.db2.gz VUJWNZPDTGSQFH-HKUYNNGSSA-N 2 0 300.446 3.168 20 30 DGEDRP CC(C)[NH+]1CCC([N@H+](C)CCCOc2ccc(C#N)cc2)CC1 ZINC000725798666 575915754 /nfs/dbraw/zinc/91/57/54/575915754.db2.gz LLFOISWWWWEXQX-UHFFFAOYSA-N 2 0 315.461 3.132 20 30 DGEDRP C#CCC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000852749769 620645741 /nfs/dbraw/zinc/64/57/41/620645741.db2.gz FSBKNIJTRWALFW-UHFFFAOYSA-N 2 0 314.473 3.144 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000104169943 617962813 /nfs/dbraw/zinc/96/28/13/617962813.db2.gz UGSINIQFOWEDKD-MRXNPFEDSA-N 2 0 316.493 3.488 20 30 DGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(C)CCCCO1 ZINC000902754249 619670628 /nfs/dbraw/zinc/67/06/28/619670628.db2.gz YVHDJGKQAWSCRE-YDZRNGNQSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@]1(C)CCCCO1 ZINC000903010296 619704054 /nfs/dbraw/zinc/70/40/54/619704054.db2.gz KDSBMCYWPSNXPB-JEQQUTEPSA-N 2 0 306.494 3.495 20 30 DGEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158304 619727105 /nfs/dbraw/zinc/72/71/05/619727105.db2.gz HLZJQHSFWYZQPK-WQHGSSGSSA-N 2 0 307.441 3.293 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(Cl)c1 ZINC000903150759 619729247 /nfs/dbraw/zinc/72/92/47/619729247.db2.gz BRQBTOFTWVKPQU-DLBZAZTESA-N 2 0 308.853 3.004 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903463955 619777198 /nfs/dbraw/zinc/77/71/98/619777198.db2.gz UIHLBWLMAPAUSN-KRWDZBQOSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000903453527 619779434 /nfs/dbraw/zinc/77/94/34/619779434.db2.gz AMGZOOCRHFJIBM-KRWDZBQOSA-N 2 0 303.837 3.176 20 30 DGEDRP C=CCC[C@H](O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343825 621178539 /nfs/dbraw/zinc/17/85/39/621178539.db2.gz XORAPPXKIFXIBM-IRXDYDNUSA-N 2 0 320.502 3.019 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490963 621197829 /nfs/dbraw/zinc/19/78/29/621197829.db2.gz UDVDJPBPPVIIKR-IAGOWNOFSA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@H](CC#N)[NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@H](C)CC#N ZINC000859163349 621256185 /nfs/dbraw/zinc/25/61/85/621256185.db2.gz IROJGTYIHAJQQY-HZPDHXFCSA-N 2 0 308.546 3.163 20 30 DGEDRP C#CCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000775300949 623251441 /nfs/dbraw/zinc/25/14/41/623251441.db2.gz BMVMZQFGVOYTMQ-INIZCTEOSA-N 2 0 317.452 3.032 20 30 DGEDRP C#CCCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000775300951 623251679 /nfs/dbraw/zinc/25/16/79/623251679.db2.gz BMVMZQFGVOYTMQ-MRXNPFEDSA-N 2 0 317.452 3.032 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000778167927 623619475 /nfs/dbraw/zinc/61/94/75/623619475.db2.gz UPGWYPCXLINLNV-UHFFFAOYSA-N 2 0 320.864 3.174 20 30 DGEDRP COCC[N@H+](CCC1(C#N)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879127144 624433466 /nfs/dbraw/zinc/43/34/66/624433466.db2.gz RVVYNQUEZFJULE-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC000879247607 624463596 /nfs/dbraw/zinc/46/35/96/624463596.db2.gz VWUPAIJZISQWIP-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=C(Br)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702069 624645569 /nfs/dbraw/zinc/64/55/69/624645569.db2.gz DSADPOCXKURVRV-UHFFFAOYSA-N 2 0 303.288 3.195 20 30 DGEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261235 624874767 /nfs/dbraw/zinc/87/47/67/624874767.db2.gz HQLVKYIQQZFKNX-HOTGVXAUSA-N 2 0 306.413 3.225 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883234202 626618405 /nfs/dbraw/zinc/61/84/05/626618405.db2.gz YVAAAECDFTUUEE-NFBUACBFSA-N 2 0 314.473 3.255 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883234203 626618641 /nfs/dbraw/zinc/61/86/41/626618641.db2.gz YVAAAECDFTUUEE-QEEHTWDDSA-N 2 0 314.473 3.255 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000883236926 626619003 /nfs/dbraw/zinc/61/90/03/626619003.db2.gz NFXWRJIPAAPRFE-RBUKOAKNSA-N 2 0 306.494 3.212 20 30 DGEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000883391482 626671364 /nfs/dbraw/zinc/67/13/64/626671364.db2.gz LLPMXWDBKBCHMO-YSTOQKLRSA-N 2 0 314.473 3.099 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000886688471 627190230 /nfs/dbraw/zinc/19/02/30/627190230.db2.gz SJLPTFKMUAFVDC-ZDUSSCGKSA-N 2 0 303.475 3.100 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925299671 627728732 /nfs/dbraw/zinc/72/87/32/627728732.db2.gz DCNHKLUOGLAMNV-OAHLLOKOSA-N 2 0 300.450 3.216 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925299669 627729167 /nfs/dbraw/zinc/72/91/67/627729167.db2.gz DCNHKLUOGLAMNV-HNNXBMFYSA-N 2 0 300.450 3.216 20 30 DGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CC2 ZINC000925880821 627810932 /nfs/dbraw/zinc/81/09/32/627810932.db2.gz CFGHXJBDUVAKNR-SESVDKBCSA-N 2 0 317.436 3.194 20 30 DGEDRP C=CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000817909359 627959725 /nfs/dbraw/zinc/95/97/25/627959725.db2.gz OKWUFBKXJKBAOY-DLBZAZTESA-N 2 0 318.461 3.039 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849101857 631835434 /nfs/dbraw/zinc/83/54/34/631835434.db2.gz RNMVZWMZXCWYMA-SJLPKXTDSA-N 2 0 316.493 3.442 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000237675463 655795847 /nfs/dbraw/zinc/79/58/47/655795847.db2.gz YNOKDTDXWWXSOJ-GOSISDBHSA-N 2 0 314.473 3.443 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000236702525 656956673 /nfs/dbraw/zinc/95/66/73/656956673.db2.gz HERUNVGTLHVQAR-KRWDZBQOSA-N 2 0 315.461 3.189 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303261218 657525616 /nfs/dbraw/zinc/52/56/16/657525616.db2.gz OCKFJOQUNHRGLP-MRXNPFEDSA-N 2 0 316.493 3.121 20 30 DGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000303369466 657530874 /nfs/dbraw/zinc/53/08/74/657530874.db2.gz JNLSGPPKBWZRGH-HZPDHXFCSA-N 2 0 302.466 3.171 20 30 DGEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+](C)C ZINC000303783253 657561886 /nfs/dbraw/zinc/56/18/86/657561886.db2.gz ODPYDEQASYGIIA-GOSISDBHSA-N 2 0 316.493 3.268 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000303781566 657562504 /nfs/dbraw/zinc/56/25/04/657562504.db2.gz MKJJXTVLHFWSAB-OAHLLOKOSA-N 2 0 316.493 3.264 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000303787565 657563529 /nfs/dbraw/zinc/56/35/29/657563529.db2.gz SNIQDSOPRNUYNW-UHFFFAOYSA-N 2 0 302.466 3.295 20 30 DGEDRP CCN(CC)C(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303867393 657567735 /nfs/dbraw/zinc/56/77/35/657567735.db2.gz CVXPCGIMYQZUAL-SFHVURJKSA-N 2 0 316.493 3.116 20 30 DGEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N2CCC[C@H](C)C2)c1 ZINC000303874328 657570197 /nfs/dbraw/zinc/57/01/97/657570197.db2.gz DACOARICCGQNPE-INIZCTEOSA-N 2 0 316.493 3.075 20 30 DGEDRP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303891844 657572912 /nfs/dbraw/zinc/57/29/12/657572912.db2.gz QXSDYZHCZXMSKW-GOSISDBHSA-N 2 0 316.493 3.020 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000303894469 657573157 /nfs/dbraw/zinc/57/31/57/657573157.db2.gz OWENWSPFGTVSPL-MRXNPFEDSA-N 2 0 316.493 3.123 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303973157 657582120 /nfs/dbraw/zinc/58/21/20/657582120.db2.gz GSEAIWUNCDDSEM-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])NC(C)(C)C)CCCC1)c1ccccc1 ZINC000304740882 657645450 /nfs/dbraw/zinc/64/54/50/657645450.db2.gz BVRXBIYBLLQGJP-HNNXBMFYSA-N 2 0 316.493 3.353 20 30 DGEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304750271 657647221 /nfs/dbraw/zinc/64/72/21/657647221.db2.gz IFDYICSQURCSNX-MRXNPFEDSA-N 2 0 314.477 3.166 20 30 DGEDRP CCN(CC)C(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304752203 657647355 /nfs/dbraw/zinc/64/73/55/657647355.db2.gz JZXJAURLKRGINZ-INIZCTEOSA-N 2 0 316.493 3.307 20 30 DGEDRP CCC(CC)(CNC(NC1CC1)=[NH+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000304032030 657703241 /nfs/dbraw/zinc/70/32/41/657703241.db2.gz GMHRJFUKWHUOJN-HNNXBMFYSA-N 2 0 316.493 3.223 20 30 DGEDRP CCCC[N@H+](CCO[C@@H](C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032945 661447075 /nfs/dbraw/zinc/44/70/75/661447075.db2.gz CQKLRINPFHKJNY-HNNXBMFYSA-N 2 0 309.498 3.326 20 30 DGEDRP N#CCC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000382092601 685162537 /nfs/dbraw/zinc/16/25/37/685162537.db2.gz ZHFPIXVTHPWYJW-RBUKOAKNSA-N 2 0 309.457 3.134 20 30 DGEDRP Clc1ccc(C#CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001579938106 1192000193 /nfs/dbraw/zinc/00/01/93/1192000193.db2.gz OUGSHGGZQRWWAG-GOSISDBHSA-N 2 0 302.849 3.156 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)c(F)c1 ZINC001580066408 1192005948 /nfs/dbraw/zinc/00/59/48/1192005948.db2.gz JWJVBFDPVBCOSL-SFHVURJKSA-N 2 0 313.420 3.051 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692333998 1176781644 /nfs/dbraw/zinc/78/16/44/1176781644.db2.gz QMNLGSIUFNTOQH-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC001343335760 1179257960 /nfs/dbraw/zinc/25/79/60/1179257960.db2.gz XSWCXOKQFDZXQX-CMKODMSKSA-N 2 0 323.484 3.404 20 30 DGEDRP C#CCN(C)CCC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001461541239 1182825471 /nfs/dbraw/zinc/82/54/71/1182825471.db2.gz SSEDMNREDONTPY-UHFFFAOYSA-N 2 0 322.452 3.310 20 30 DGEDRP C=C1CCC(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001461737608 1182847658 /nfs/dbraw/zinc/84/76/58/1182847658.db2.gz AQDODTBLOVFJLV-UHFFFAOYSA-N 2 0 313.489 3.274 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1Cl ZINC001461831401 1182865566 /nfs/dbraw/zinc/86/55/66/1182865566.db2.gz STLXIRUHMZOBSX-HLLBOEOZSA-N 2 0 320.864 3.335 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001473173114 1183723895 /nfs/dbraw/zinc/72/38/95/1183723895.db2.gz IBVUWUBMOMDEPB-SFHVURJKSA-N 2 0 311.473 3.483 20 30 DGEDRP CC(C)C[N@H+](CC#Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001473739523 1183795774 /nfs/dbraw/zinc/79/57/74/1183795774.db2.gz WUQBVHMCMZZAOB-UHFFFAOYSA-N 2 0 316.464 3.477 20 30 DGEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001569451267 1190700894 /nfs/dbraw/zinc/70/08/94/1190700894.db2.gz VNSFUICRWFOVIN-SFHVURJKSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001690440473 1200558053 /nfs/dbraw/zinc/55/80/53/1200558053.db2.gz GIEMPXUMVRJBTI-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407572 1082624548 /nfs/dbraw/zinc/62/45/48/1082624548.db2.gz OBPMBMCBWRQDTC-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377505 1082894365 /nfs/dbraw/zinc/89/43/65/1082894365.db2.gz XWJUDRGFCVTYFL-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132440440 1082909525 /nfs/dbraw/zinc/90/95/25/1082909525.db2.gz AJWCPKYLSUQGTN-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[C@H](C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001181134262 1083414610 /nfs/dbraw/zinc/41/46/10/1083414610.db2.gz FXZHKJIWILFUMU-HNNXBMFYSA-N 2 0 312.502 3.047 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC001182500537 1083735759 /nfs/dbraw/zinc/73/57/59/1083735759.db2.gz VPXZWHWSVPMOLV-OMZCGLGVSA-N 2 0 309.457 3.321 20 30 DGEDRP Cc1ccc(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C ZINC001167981641 1085934850 /nfs/dbraw/zinc/93/48/50/1085934850.db2.gz CQXAPRFOEJGIKR-YQQQUEKLSA-N 2 0 311.473 3.414 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872749 1089447662 /nfs/dbraw/zinc/44/76/62/1089447662.db2.gz LOTXWRHIEQOTPF-UHFFFAOYSA-N 2 0 316.449 3.014 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC001204270780 1090937421 /nfs/dbraw/zinc/93/74/21/1090937421.db2.gz ZIFIJRAUUGGCEL-UHFFFAOYSA-N 2 0 315.461 3.143 20 30 DGEDRP [NH3+]CC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205046716 1091089986 /nfs/dbraw/zinc/08/99/86/1091089986.db2.gz JPEYICOSSMHQDZ-UHFFFAOYSA-N 2 0 304.437 3.257 20 30 DGEDRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205102542 1091103196 /nfs/dbraw/zinc/10/31/96/1091103196.db2.gz STWMGJLFEHPIHV-OAQYLSRUSA-N 2 0 304.437 3.400 20 30 DGEDRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205109289 1091104718 /nfs/dbraw/zinc/10/47/18/1091104718.db2.gz DLCLGTREROPODZ-KRWDZBQOSA-N 2 0 310.466 3.461 20 30 DGEDRP C=CCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139030027 1091424514 /nfs/dbraw/zinc/42/45/14/1091424514.db2.gz CIZZAYYALDYVDI-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205992998 1091439394 /nfs/dbraw/zinc/43/93/94/1091439394.db2.gz GPZODPSIETZKHI-SJORKVTESA-N 2 0 302.462 3.448 20 30 DGEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205992993 1091439939 /nfs/dbraw/zinc/43/99/39/1091439939.db2.gz GPZODPSIETZKHI-IRXDYDNUSA-N 2 0 302.462 3.448 20 30 DGEDRP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)cc1C#N ZINC001139727447 1091655772 /nfs/dbraw/zinc/65/57/72/1091655772.db2.gz REUSDYCHISJBIP-GOSISDBHSA-N 2 0 307.397 3.223 20 30 DGEDRP C=CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C(C)(C)C ZINC001140975125 1092092388 /nfs/dbraw/zinc/09/23/88/1092092388.db2.gz NXWQROZJDGIOSE-UHFFFAOYSA-N 2 0 301.478 3.225 20 30 DGEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001208178218 1092243844 /nfs/dbraw/zinc/24/38/44/1092243844.db2.gz NZUNTGVHTFATJC-HXUWFJFHSA-N 2 0 317.521 3.002 20 30 DGEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001491938294 1092310026 /nfs/dbraw/zinc/31/00/26/1092310026.db2.gz LJXIRQIIOXBMLF-KRWDZBQOSA-N 2 0 315.461 3.119 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423689 1092349494 /nfs/dbraw/zinc/34/94/94/1092349494.db2.gz NSCPXMPONVJYEW-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081046 1094392722 /nfs/dbraw/zinc/39/27/22/1094392722.db2.gz GFWAKBVPDDNJJL-DLBZAZTESA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315510 1094486792 /nfs/dbraw/zinc/48/67/92/1094486792.db2.gz PCVBBXUIPCBLPH-DLBZAZTESA-N 2 0 313.530 3.172 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135315511 1094486899 /nfs/dbraw/zinc/48/68/99/1094486899.db2.gz PCVBBXUIPCBLPH-IAGOWNOFSA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218995899 1094922431 /nfs/dbraw/zinc/92/24/31/1094922431.db2.gz TXFWKXFHPGMOPM-AEFFLSMTSA-N 2 0 315.461 3.166 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171121294 1095437902 /nfs/dbraw/zinc/43/79/02/1095437902.db2.gz RUABAZYDUUKHFH-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001172118627 1097062854 /nfs/dbraw/zinc/06/28/54/1097062854.db2.gz SNZRRNNFGAXGHF-BCDXTJNWSA-N 2 0 322.456 3.202 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001172299708 1097109874 /nfs/dbraw/zinc/10/98/74/1097109874.db2.gz NLUYNGOMHGCGMC-MRXNPFEDSA-N 2 0 311.473 3.473 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172511005 1097175027 /nfs/dbraw/zinc/17/50/27/1097175027.db2.gz LPXOKSANPNRIPV-SFHVURJKSA-N 2 0 309.542 3.447 20 30 DGEDRP CCCCCCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229184890 1097273189 /nfs/dbraw/zinc/27/31/89/1097273189.db2.gz DOEVJKYIVLOMIM-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229800517 1097389407 /nfs/dbraw/zinc/38/94/07/1097389407.db2.gz GZCPAURFBCLVDC-KZNAEPCWSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173319110 1097429638 /nfs/dbraw/zinc/42/96/38/1097429638.db2.gz YRKUNLJSLFCZBY-UHFFFAOYSA-N 2 0 314.473 3.450 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001232844294 1098150327 /nfs/dbraw/zinc/15/03/27/1098150327.db2.gz XHENHZXAMNAWNX-UHFFFAOYSA-N 2 0 303.475 3.174 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176727795 1098414027 /nfs/dbraw/zinc/41/40/27/1098414027.db2.gz ABCRUUVCWZYLFK-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176737555 1098416662 /nfs/dbraw/zinc/41/66/62/1098416662.db2.gz KGBBZRKTZPUSRP-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1cccc2c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c[nH]c21 ZINC001235226200 1098900294 /nfs/dbraw/zinc/90/02/94/1098900294.db2.gz AIFUKFVTMKKUCR-IBGZPJMESA-N 2 0 322.456 3.394 20 30 DGEDRP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235256158 1098926964 /nfs/dbraw/zinc/92/69/64/1098926964.db2.gz QKGPGHNPWHDVHT-ACRUOGEOSA-N 2 0 302.421 3.008 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235431916 1099029135 /nfs/dbraw/zinc/02/91/35/1099029135.db2.gz PCQNTNSOUABXAK-ZWKOTPCHSA-N 2 0 322.456 3.251 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179336788 1099075205 /nfs/dbraw/zinc/07/52/05/1099075205.db2.gz BQBCDHVIYSBMKG-BZSNNMDCSA-N 2 0 323.525 3.020 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1O ZINC001235702932 1099136666 /nfs/dbraw/zinc/13/66/66/1099136666.db2.gz XSQNXTIJKJPHKH-UHFFFAOYSA-N 2 0 314.473 3.332 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717689 1099142993 /nfs/dbraw/zinc/14/29/93/1099142993.db2.gz YYORVIRXBMGELV-UHFFFAOYSA-N 2 0 302.462 3.463 20 30 DGEDRP CC1(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC001235789220 1099180526 /nfs/dbraw/zinc/18/05/26/1099180526.db2.gz NECYHZHOZAHCBZ-UHFFFAOYSA-N 2 0 311.473 3.202 20 30 DGEDRP C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841634 1099203887 /nfs/dbraw/zinc/20/38/87/1099203887.db2.gz GMBQVDQYQBJLMY-SFHVURJKSA-N 2 0 321.424 3.392 20 30 DGEDRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235925597 1099261735 /nfs/dbraw/zinc/26/17/35/1099261735.db2.gz WQLAVVXUVPTEFE-NRFANRHFSA-N 2 0 304.437 3.400 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236634516 1099715248 /nfs/dbraw/zinc/71/52/48/1099715248.db2.gz VCHWPQHLCHNYFE-UHFFFAOYSA-N 2 0 300.446 3.358 20 30 DGEDRP C=C(C)COc1ccccc1C[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236835721 1099823024 /nfs/dbraw/zinc/82/30/24/1099823024.db2.gz PNOCGODCQPGYTF-QGZVFWFLSA-N 2 0 302.462 3.463 20 30 DGEDRP COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1C#N ZINC001238406360 1100433856 /nfs/dbraw/zinc/43/38/56/1100433856.db2.gz BMGFDWCBBLEMHR-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001191448695 1100459773 /nfs/dbraw/zinc/45/97/73/1100459773.db2.gz ARKZTCRJWRNZTB-KRWDZBQOSA-N 2 0 315.461 3.119 20 30 DGEDRP N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356174 1100957281 /nfs/dbraw/zinc/95/72/81/1100957281.db2.gz OFCVFSPKXHJSKE-SFHVURJKSA-N 2 0 317.436 3.379 20 30 DGEDRP C[NH+](C)Cc1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1F ZINC001240361236 1100959372 /nfs/dbraw/zinc/95/93/72/1100959372.db2.gz MJACXGGFXMQXRU-UHFFFAOYSA-N 2 0 309.388 3.113 20 30 DGEDRP COc1cc(C#N)ccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001241407995 1101437200 /nfs/dbraw/zinc/43/72/00/1101437200.db2.gz BERCIBQMQFONLX-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP CC#Cc1cncc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC001242941506 1102431758 /nfs/dbraw/zinc/43/17/58/1102431758.db2.gz MJMJOZDVFDORHK-UHFFFAOYSA-N 2 0 319.452 3.291 20 30 DGEDRP N#Cc1cccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1F ZINC001245070814 1103838877 /nfs/dbraw/zinc/83/88/77/1103838877.db2.gz BSPZIULCFAGJFI-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979472 1104344967 /nfs/dbraw/zinc/34/49/67/1104344967.db2.gz KBLLKZNOCYKXQK-MSOLQXFVSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001245976112 1104346176 /nfs/dbraw/zinc/34/61/76/1104346176.db2.gz BGJDQHOPXDFVHB-HXUWFJFHSA-N 2 0 316.489 3.309 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246027700 1104355158 /nfs/dbraw/zinc/35/51/58/1104355158.db2.gz BHJDVYUUMDPCIC-GOSISDBHSA-N 2 0 308.510 3.482 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246044037 1104356146 /nfs/dbraw/zinc/35/61/46/1104356146.db2.gz FEACEAGXWUZYSD-QRVBRYPASA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084396 1104378154 /nfs/dbraw/zinc/37/81/54/1104378154.db2.gz RUZCWINETHBPCD-FGTMMUONSA-N 2 0 316.505 3.414 20 30 DGEDRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246102130 1104386294 /nfs/dbraw/zinc/38/62/94/1104386294.db2.gz RGFFVNRILHIXQP-CAJUJLTQSA-N 2 0 311.473 3.420 20 30 DGEDRP CCCC[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328385 1104492350 /nfs/dbraw/zinc/49/23/50/1104492350.db2.gz LRFSRECNGULVMR-ROUUACIJSA-N 2 0 315.461 3.228 20 30 DGEDRP N#Cc1ccc(CC[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1 ZINC001274917758 1104542782 /nfs/dbraw/zinc/54/27/82/1104542782.db2.gz OPFLUMLRAWOVAV-UHFFFAOYSA-N 2 0 323.484 3.441 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550906 1104590920 /nfs/dbraw/zinc/59/09/20/1104590920.db2.gz ZKMGPAMAOGYHDN-LMDPOFIKSA-N 2 0 315.436 3.343 20 30 DGEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246624092 1104633409 /nfs/dbraw/zinc/63/34/09/1104633409.db2.gz FNEDFVSIHLPUIL-QGZVFWFLSA-N 2 0 323.525 3.070 20 30 DGEDRP CCCCCCCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275132765 1104642422 /nfs/dbraw/zinc/64/24/22/1104642422.db2.gz BSYJDKDASYEWQL-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246645407 1104643252 /nfs/dbraw/zinc/64/32/52/1104643252.db2.gz KTRKOJWUWJPZHL-QRVBRYPASA-N 2 0 310.526 3.275 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001246794928 1104679089 /nfs/dbraw/zinc/67/90/89/1104679089.db2.gz LEXHMYHWEFKTCD-MRXNPFEDSA-N 2 0 311.473 3.201 20 30 DGEDRP C=CCC[N@H+](Cc1ccccc1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246796331 1104681190 /nfs/dbraw/zinc/68/11/90/1104681190.db2.gz QRJSAVCDLODBRE-UHFFFAOYSA-N 2 0 314.473 3.366 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246807939 1104684459 /nfs/dbraw/zinc/68/44/59/1104684459.db2.gz VYSLVEGLVRPWJF-AERCQKQUSA-N 2 0 323.484 3.486 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)cc1 ZINC001275956813 1104967614 /nfs/dbraw/zinc/96/76/14/1104967614.db2.gz OWVFLBVIKWGFMV-MOPGFXCFSA-N 2 0 300.446 3.406 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(CC[N@@H+](COCCOC)C2)CC1 ZINC001276034680 1104992586 /nfs/dbraw/zinc/99/25/86/1104992586.db2.gz AZCREHFIGJUPFG-UHFFFAOYSA-N 2 0 324.509 3.141 20 30 DGEDRP C=CCCCCC[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001276040227 1105003560 /nfs/dbraw/zinc/00/35/60/1105003560.db2.gz KEQGFLMLTBDPFY-FQEVSTJZSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276043188 1105004403 /nfs/dbraw/zinc/00/44/03/1105004403.db2.gz XDDDKKNZMVLFCI-OALUTQOASA-N 2 0 307.526 3.223 20 30 DGEDRP C=CCCCCCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276043089 1105004579 /nfs/dbraw/zinc/00/45/79/1105004579.db2.gz SQSPNCRMWAEAOS-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253256262 1105913795 /nfs/dbraw/zinc/91/37/95/1105913795.db2.gz UFUMKYFPJCTECM-AKHDSKFASA-N 2 0 308.510 3.479 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001254648689 1106121580 /nfs/dbraw/zinc/12/15/80/1106121580.db2.gz NKVOSCUJXXVEBX-GDBMZVCRSA-N 2 0 317.864 3.368 20 30 DGEDRP CC[C@@H](CC#N)n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001255155887 1106193216 /nfs/dbraw/zinc/19/32/16/1106193216.db2.gz CHAJBXPYSFBBFM-SFHVURJKSA-N 2 0 324.472 3.472 20 30 DGEDRP CC[C@H](CC#N)n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001255155885 1106193226 /nfs/dbraw/zinc/19/32/26/1106193226.db2.gz CHAJBXPYSFBBFM-GOSISDBHSA-N 2 0 324.472 3.472 20 30 DGEDRP CC(C)[NH+]1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001257204888 1106550948 /nfs/dbraw/zinc/55/09/48/1106550948.db2.gz SFWCDXNPKCMSIU-UHFFFAOYSA-N 2 0 313.367 3.284 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H]([NH+]4CCOCC4)CC3)C[C@H](C1)C2 ZINC001257890489 1106641753 /nfs/dbraw/zinc/64/17/53/1106641753.db2.gz OYBZFKFPASZCBT-NELOAPHISA-N 2 0 318.505 3.354 20 30 DGEDRP CCCCCCC[C@H](C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001258049864 1106664896 /nfs/dbraw/zinc/66/48/96/1106664896.db2.gz PZKZJHDIPYTZSL-IBGZPJMESA-N 2 0 309.542 3.449 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001316978390 1106841809 /nfs/dbraw/zinc/84/18/09/1106841809.db2.gz WLTPOQWJVPVWNO-ZWKOTPCHSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316984380 1106847182 /nfs/dbraw/zinc/84/71/82/1106847182.db2.gz JOXCRNUYKGEVSO-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001258724183 1106928622 /nfs/dbraw/zinc/92/86/22/1106928622.db2.gz PLSYQXBLSGFOSO-MRXNPFEDSA-N 2 0 302.462 3.386 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001258724182 1106928901 /nfs/dbraw/zinc/92/89/01/1106928901.db2.gz PLSYQXBLSGFOSO-INIZCTEOSA-N 2 0 302.462 3.386 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCOc1ccccc1C#N ZINC001258903303 1107051240 /nfs/dbraw/zinc/05/12/40/1107051240.db2.gz PAQTVGCMPXFHQE-MRXNPFEDSA-N 2 0 303.450 3.037 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1 ZINC001308480107 1111433405 /nfs/dbraw/zinc/43/34/05/1111433405.db2.gz RBIINTKSJAIDEF-UHFFFAOYSA-N 2 0 314.473 3.299 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000411404784 282225888 /nfs/dbraw/zinc/22/58/88/282225888.db2.gz ZJLQWCVDYJOEJI-SQNIBIBYSA-N 2 0 319.493 3.034 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189960644 186255656 /nfs/dbraw/zinc/25/56/56/186255656.db2.gz XGUFHVPGVHKZOR-NNXNONAVSA-N 2 0 316.489 3.060 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000107044478 432026153 /nfs/dbraw/zinc/02/61/53/432026153.db2.gz HXQPEWYWUFNTCB-UHFFFAOYSA-N 2 0 317.392 3.174 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180179689 432080132 /nfs/dbraw/zinc/08/01/32/432080132.db2.gz KHLYYCYRZUPELZ-HSALFYBXSA-N 2 0 314.473 3.079 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OC ZINC000271885108 209296181 /nfs/dbraw/zinc/29/61/81/209296181.db2.gz NEQSWNMYIAAEDJ-UHFFFAOYSA-N 2 0 316.445 3.002 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449104769 240020304 /nfs/dbraw/zinc/02/03/04/240020304.db2.gz BFOUZLPNZPVFFA-KRWDZBQOSA-N 2 0 307.526 3.270 20 30 DGEDRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000488144042 245152767 /nfs/dbraw/zinc/15/27/67/245152767.db2.gz VGGRITMCJVEJTQ-AZUAARDMSA-N 2 0 309.457 3.315 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000067507247 400174900 /nfs/dbraw/zinc/17/49/00/400174900.db2.gz NQDPGRKJKGDWAO-QGZVFWFLSA-N 2 0 318.461 3.080 20 30 DGEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000590962125 400469884 /nfs/dbraw/zinc/46/98/84/400469884.db2.gz JVHCPPKKXFHYIQ-FQEVSTJZSA-N 2 0 318.424 3.199 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000596649210 400472178 /nfs/dbraw/zinc/47/21/78/400472178.db2.gz CLRCWAGRFAWQCH-BBWFWOEESA-N 2 0 322.493 3.032 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000591573457 400541043 /nfs/dbraw/zinc/54/10/43/400541043.db2.gz YWAYKTBACJJCAS-USXIJHARSA-N 2 0 303.837 3.222 20 30 DGEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030194 400543173 /nfs/dbraw/zinc/54/31/73/400543173.db2.gz QVBTZQSBCNWKIX-IEBWSBKVSA-N 2 0 309.457 3.158 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000597135440 400567445 /nfs/dbraw/zinc/56/74/45/400567445.db2.gz LCTQIWLTVYNPEQ-LJQANCHMSA-N 2 0 309.457 3.159 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000618578798 400630522 /nfs/dbraw/zinc/63/05/22/400630522.db2.gz DMHZRYVMKNLHKG-HXUWFJFHSA-N 2 0 309.457 3.400 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000047977158 400637191 /nfs/dbraw/zinc/63/71/91/400637191.db2.gz OWJJJRKRVGCKPK-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000593701978 400896107 /nfs/dbraw/zinc/89/61/07/400896107.db2.gz JHAMEMWGTJDCJI-PXNSSMCTSA-N 2 0 322.456 3.195 20 30 DGEDRP C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593704050 400896419 /nfs/dbraw/zinc/89/64/19/400896419.db2.gz YJNYONBTTCEUPX-INIZCTEOSA-N 2 0 320.440 3.268 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623655368 401562581 /nfs/dbraw/zinc/56/25/81/401562581.db2.gz VZMHZKTYHKPVIE-KRWDZBQOSA-N 2 0 318.461 3.082 20 30 DGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000345760283 229156926 /nfs/dbraw/zinc/15/69/26/229156926.db2.gz UABRYNLWYUGXEW-IAGOWNOFSA-N 2 0 321.509 3.138 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273746 266151508 /nfs/dbraw/zinc/15/15/08/266151508.db2.gz PCQDLUIAUZBMQP-FUHWJXTLSA-N 2 0 315.461 3.132 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360838656 268219255 /nfs/dbraw/zinc/21/92/55/268219255.db2.gz VCAGZTGTUCAQGU-OXQOHEQNSA-N 2 0 309.457 3.400 20 30 DGEDRP N#CCSCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122135240 431814753 /nfs/dbraw/zinc/81/47/53/431814753.db2.gz QXSOJYXBHZWBMO-UHFFFAOYSA-N 2 0 309.523 3.221 20 30 DGEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000271037324 432320031 /nfs/dbraw/zinc/32/00/31/432320031.db2.gz MBLUFFJLALYDJP-UHFFFAOYSA-N 2 0 315.461 3.143 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000153009723 432375780 /nfs/dbraw/zinc/37/57/80/432375780.db2.gz QWRDYCYDMFHAKT-OYHNWAKOSA-N 2 0 320.502 3.115 20 30 DGEDRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000192940551 432432320 /nfs/dbraw/zinc/43/23/20/432432320.db2.gz QFSAPLNWVMZLRP-MRXNPFEDSA-N 2 0 301.434 3.116 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751303 432530082 /nfs/dbraw/zinc/53/00/82/432530082.db2.gz QNQBKJGPQYFNHE-GOEBONIOSA-N 2 0 315.436 3.440 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000264064010 432611729 /nfs/dbraw/zinc/61/17/29/432611729.db2.gz ANHNCDOPZBKMPX-MRXNPFEDSA-N 2 0 302.466 3.150 20 30 DGEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948510 432569388 /nfs/dbraw/zinc/56/93/88/432569388.db2.gz XWQGNOKRPHMAPZ-GJZGRUSLSA-N 2 0 305.491 3.467 20 30 DGEDRP C[NH+](C)CCCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000266214435 432756060 /nfs/dbraw/zinc/75/60/60/432756060.db2.gz PDJDXKUZWGKWRZ-UHFFFAOYSA-N 2 0 317.477 3.437 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC2CC[NH+](CC)CC2)c1 ZINC000267442210 432835139 /nfs/dbraw/zinc/83/51/39/432835139.db2.gz PFDRXTXEOVQBIF-UHFFFAOYSA-N 2 0 302.466 3.098 20 30 DGEDRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290463625 433061006 /nfs/dbraw/zinc/06/10/06/433061006.db2.gz NDBZVAXCUMIKCV-UHFFFAOYSA-N 2 0 316.493 3.200 20 30 DGEDRP C=CCC[C@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453379512 433135588 /nfs/dbraw/zinc/13/55/88/433135588.db2.gz YPRRMYMULJMOGB-IOJLRTSASA-N 2 0 316.489 3.346 20 30 DGEDRP C[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000350475405 433176214 /nfs/dbraw/zinc/17/62/14/433176214.db2.gz IDICGAPPCOXUQI-UHFFFAOYSA-N 2 0 311.473 3.322 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414848126 433876318 /nfs/dbraw/zinc/87/63/18/433876318.db2.gz KCOVPFTWULNKHE-AWEZNQCLSA-N 2 0 308.853 3.384 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000422558470 433920567 /nfs/dbraw/zinc/92/05/67/433920567.db2.gz ATBHHZCMHXZNGN-INMHGKMJSA-N 2 0 318.461 3.065 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422835657 434041717 /nfs/dbraw/zinc/04/17/17/434041717.db2.gz PUKMGTDALSBYQZ-VNTMZGSJSA-N 2 0 319.537 3.195 20 30 DGEDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416573 434119051 /nfs/dbraw/zinc/11/90/51/434119051.db2.gz YMLPCPYLJUVONQ-FQEVSTJZSA-N 2 0 305.425 3.397 20 30 DGEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CN1Cc1ccccc1 ZINC000403971924 434506908 /nfs/dbraw/zinc/50/69/08/434506908.db2.gz BWJPUROYPMEHRZ-HNAYVOBHSA-N 2 0 323.415 3.450 20 30 DGEDRP CCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367022442 434534557 /nfs/dbraw/zinc/53/45/57/434534557.db2.gz SXWWSYDZVCMMLN-RTBURBONSA-N 2 0 309.542 3.305 20 30 DGEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000459728465 434678705 /nfs/dbraw/zinc/67/87/05/434678705.db2.gz HZXQROVISBPOIS-KRWDZBQOSA-N 2 0 315.461 3.191 20 30 DGEDRP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000466420443 435077044 /nfs/dbraw/zinc/07/70/44/435077044.db2.gz AZZXIYWEMQCILY-UWJYYQICSA-N 2 0 319.452 3.353 20 30 DGEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000535784808 435353994 /nfs/dbraw/zinc/35/39/94/435353994.db2.gz LORHAUMZQFJZKP-KKXNLOMOSA-N 2 0 311.473 3.322 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000651723746 435806238 /nfs/dbraw/zinc/80/62/38/435806238.db2.gz ZZZJXAIRXQMBEQ-RBUKOAKNSA-N 2 0 319.537 3.271 20 30 DGEDRP C=CCCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000572572819 435841182 /nfs/dbraw/zinc/84/11/82/435841182.db2.gz LPFSDAYTPKBNMW-UHFFFAOYSA-N 2 0 321.553 3.471 20 30 DGEDRP C[N@@H+]1CC[C@]2(C1)CCCN(CC#Cc1ccc(Cl)cc1)C2 ZINC000660659114 435843252 /nfs/dbraw/zinc/84/32/52/435843252.db2.gz NHLUCJAZGRTKRB-SFHVURJKSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000665236984 435925470 /nfs/dbraw/zinc/92/54/70/435925470.db2.gz XSWZQLKLQJACBE-KZNAEPCWSA-N 2 0 306.494 3.260 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786482 436044931 /nfs/dbraw/zinc/04/49/31/436044931.db2.gz SYZMLKOTOOMJLT-SFHVURJKSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647481029 436062957 /nfs/dbraw/zinc/06/29/57/436062957.db2.gz SGJHZBRUCOARPH-IEBWSBKVSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594844 436257511 /nfs/dbraw/zinc/25/75/11/436257511.db2.gz DEBMJTRNLZKSJS-AHRSYUTCSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657837396 436321692 /nfs/dbraw/zinc/32/16/92/436321692.db2.gz ZMUFSNHGVQJDRB-OALUTQOASA-N 2 0 307.526 3.129 20 30 DGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293730656 334201555 /nfs/dbraw/zinc/20/15/55/334201555.db2.gz GQVCFZIAGWKIRI-IEBWSBKVSA-N 2 0 312.461 3.312 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701437 340251015 /nfs/dbraw/zinc/25/10/15/340251015.db2.gz XDBHDFVRSUDSNW-HKUYNNGSSA-N 2 0 302.462 3.079 20 30 DGEDRP C=C(C)COCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701564 340251043 /nfs/dbraw/zinc/25/10/43/340251043.db2.gz XDBHDFVRSUDSNW-MJGOQNOKSA-N 2 0 302.462 3.079 20 30 DGEDRP C=CCN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000358678639 526450795 /nfs/dbraw/zinc/45/07/95/526450795.db2.gz MEJRXEFGJNWVMJ-UHFFFAOYSA-N 2 0 305.510 3.024 20 30 DGEDRP CC[NH+](CC)CCOC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000350076015 528141057 /nfs/dbraw/zinc/14/10/57/528141057.db2.gz LARPYFBTWCCFMF-UHFFFAOYSA-N 2 0 309.498 3.139 20 30 DGEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680064 528149414 /nfs/dbraw/zinc/14/94/14/528149414.db2.gz NHXNRVMJMIXXJF-APWZRJJASA-N 2 0 315.461 3.052 20 30 DGEDRP C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214483 546155219 /nfs/dbraw/zinc/15/52/19/546155219.db2.gz FZRLTANXCOAQLP-CJNGLKHVSA-N 2 0 310.363 3.129 20 30 DGEDRP C[C@]1(C#N)CC[NH+](CCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686069 620641236 /nfs/dbraw/zinc/64/12/36/620641236.db2.gz FEXVPKMHZWQCEX-QZTJIDSGSA-N 2 0 302.466 3.018 20 30 DGEDRP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925773992 618615057 /nfs/dbraw/zinc/61/50/57/618615057.db2.gz QUTOUBPDVIJJOK-CABCVRRESA-N 2 0 303.475 3.276 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746975 619669485 /nfs/dbraw/zinc/66/94/85/619669485.db2.gz BRAIAOCPGNQLBY-CVEARBPZSA-N 2 0 300.450 3.258 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746976 619669498 /nfs/dbraw/zinc/66/94/98/619669498.db2.gz BRAIAOCPGNQLBY-HOTGVXAUSA-N 2 0 300.450 3.258 20 30 DGEDRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902993102 619700842 /nfs/dbraw/zinc/70/08/42/619700842.db2.gz PPDYLARNINBWOV-QGZVFWFLSA-N 2 0 317.502 3.426 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(Cl)c1 ZINC000903150760 619729073 /nfs/dbraw/zinc/72/90/73/619729073.db2.gz BRQBTOFTWVKPQU-IAGOWNOFSA-N 2 0 308.853 3.004 20 30 DGEDRP N#CC1(CCCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000903769468 619810350 /nfs/dbraw/zinc/81/03/50/619810350.db2.gz GXXYWJWUVGKIIQ-KGLIPLIRSA-N 2 0 317.399 3.310 20 30 DGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921543161 620905496 /nfs/dbraw/zinc/90/54/96/620905496.db2.gz OUDLGBIDAWHMTJ-GASCZTMLSA-N 2 0 305.491 3.467 20 30 DGEDRP C=CCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584309 621006159 /nfs/dbraw/zinc/00/61/59/621006159.db2.gz HKNPLTDADYAWPY-LJQANCHMSA-N 2 0 317.477 3.343 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490962 621197631 /nfs/dbraw/zinc/19/76/31/621197631.db2.gz UDVDJPBPPVIIKR-DLBZAZTESA-N 2 0 300.446 3.081 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000859214894 621261141 /nfs/dbraw/zinc/26/11/41/621261141.db2.gz QMQCLFSTHDPQGL-UHFFFAOYSA-N 2 0 311.404 3.391 20 30 DGEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000862547913 621600329 /nfs/dbraw/zinc/60/03/29/621600329.db2.gz SVTRKWNHLUKNIL-SCTDSRPQSA-N 2 0 306.494 3.048 20 30 DGEDRP N#Cc1ccc(C2([NH2+]CCCCCCC[NH3+])CCOCC2)cc1 ZINC000863558027 621683452 /nfs/dbraw/zinc/68/34/52/621683452.db2.gz URQQGKAMABMBGM-UHFFFAOYSA-N 2 0 315.461 3.063 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765981 621991755 /nfs/dbraw/zinc/99/17/55/621991755.db2.gz VPBGNNWVDDQXBJ-LSJNQWAISA-N 2 0 315.461 3.330 20 30 DGEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000772958379 622957482 /nfs/dbraw/zinc/95/74/82/622957482.db2.gz XOEPXRLYOGSMSZ-LJQANCHMSA-N 2 0 314.473 3.156 20 30 DGEDRP N#Cc1cnc(Cl)c(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000877009517 623765233 /nfs/dbraw/zinc/76/52/33/623765233.db2.gz PKJMBEALHVAQDA-UHFFFAOYSA-N 2 0 320.868 3.352 20 30 DGEDRP C=CCCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000883186435 625960420 /nfs/dbraw/zinc/96/04/20/625960420.db2.gz RSYOMFNJGPCCFY-ICSRJNTNSA-N 2 0 315.505 3.310 20 30 DGEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809656350 626933690 /nfs/dbraw/zinc/93/36/90/626933690.db2.gz CCMLPFYRJRPMKC-NRFANRHFSA-N 2 0 304.437 3.280 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000104174495 627411687 /nfs/dbraw/zinc/41/16/87/627411687.db2.gz RTINKDSPVZFZTJ-HNNXBMFYSA-N 2 0 302.466 3.269 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000925730174 627783674 /nfs/dbraw/zinc/78/36/74/627783674.db2.gz SXOSVRLAEIBMQQ-WOJBJXKFSA-N 2 0 305.425 3.095 20 30 DGEDRP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926113868 627845442 /nfs/dbraw/zinc/84/54/42/627845442.db2.gz BSJGRXBNGHCTNB-IHWFROFDSA-N 2 0 314.473 3.364 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824913590 628705545 /nfs/dbraw/zinc/70/55/45/628705545.db2.gz BLZBNLVRYIXGML-HNNXBMFYSA-N 2 0 303.450 3.187 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(OCC#N)cc1 ZINC000834908493 629806081 /nfs/dbraw/zinc/80/60/81/629806081.db2.gz FZNWSZXCJCRNMH-HNNXBMFYSA-N 2 0 301.434 3.114 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000185292578 660214374 /nfs/dbraw/zinc/21/43/74/660214374.db2.gz WJAWPZKQCHAPGA-MRXNPFEDSA-N 2 0 315.461 3.189 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000261985429 657272522 /nfs/dbraw/zinc/27/25/22/657272522.db2.gz JQUGAVQBMHGJAW-MRXNPFEDSA-N 2 0 316.493 3.040 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303773762 657561144 /nfs/dbraw/zinc/56/11/44/657561144.db2.gz FLIGBXHGKVNZHQ-OAHLLOKOSA-N 2 0 302.466 3.240 20 30 DGEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+](C)C ZINC000303780739 657562142 /nfs/dbraw/zinc/56/21/42/657562142.db2.gz LOKVESFFRQIEMJ-KRWDZBQOSA-N 2 0 304.482 3.396 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303782516 657562471 /nfs/dbraw/zinc/56/24/71/657562471.db2.gz NIHXAIQTBHZZSZ-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP CCCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303782330 657562614 /nfs/dbraw/zinc/56/26/14/657562614.db2.gz NCYYTBMMJWSPPD-HNNXBMFYSA-N 2 0 322.522 3.226 20 30 DGEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303789470 657564123 /nfs/dbraw/zinc/56/41/23/657564123.db2.gz VJJQHFLDORPACR-MRXNPFEDSA-N 2 0 316.493 3.075 20 30 DGEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+](C)C ZINC000303788984 657564227 /nfs/dbraw/zinc/56/42/27/657564227.db2.gz UWXXWROMJJHHAR-QGZVFWFLSA-N 2 0 304.482 3.396 20 30 DGEDRP CC[C@H](CNC(=[NH2+])Nc1cccc(C(C)C)c1)[NH+]1CCCC1 ZINC000303876115 657570298 /nfs/dbraw/zinc/57/02/98/657570298.db2.gz DQDGMWRLQVQKCM-QGZVFWFLSA-N 2 0 302.466 3.411 20 30 DGEDRP COc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303888340 657572933 /nfs/dbraw/zinc/57/29/33/657572933.db2.gz LIGHIGJGSFTDGX-OAHLLOKOSA-N 2 0 318.465 3.076 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303896321 657574248 /nfs/dbraw/zinc/57/42/48/657574248.db2.gz UJNZIZIUBMVULQ-OAHLLOKOSA-N 2 0 316.493 3.270 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303911926 657578776 /nfs/dbraw/zinc/57/87/76/657578776.db2.gz ZXZMIDVGCZMKGO-CABCVRRESA-N 2 0 302.466 3.239 20 30 DGEDRP CC(C)CNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304739149 657646406 /nfs/dbraw/zinc/64/64/06/657646406.db2.gz BBUQUDKHDNQXKX-INIZCTEOSA-N 2 0 316.493 3.210 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237496157 658687036 /nfs/dbraw/zinc/68/70/36/658687036.db2.gz ICTJXRBYBOAEHK-SFHVURJKSA-N 2 0 314.473 3.300 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000930059965 659901661 /nfs/dbraw/zinc/90/16/61/659901661.db2.gz HNJROFSJWRLTGJ-KZNAEPCWSA-N 2 0 319.493 3.034 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000247231630 662304195 /nfs/dbraw/zinc/30/41/95/662304195.db2.gz YIQZXHPHIZKFIK-IAGOWNOFSA-N 2 0 300.446 3.081 20 30 DGEDRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093693141 662358958 /nfs/dbraw/zinc/35/89/58/662358958.db2.gz OSKIWKNBZNKHBX-WMZOPIPTSA-N 2 0 315.461 3.141 20 30 DGEDRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001579194423 1191968908 /nfs/dbraw/zinc/96/89/08/1191968908.db2.gz MZYCIGVTQZSMOW-HNAYVOBHSA-N 2 0 323.440 3.302 20 30 DGEDRP N#CC1(CC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCCCC1 ZINC001580037928 1192004150 /nfs/dbraw/zinc/00/41/50/1192004150.db2.gz AXVHNEIABROOAU-MSOLQXFVSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCCCC1 ZINC001580038820 1192004322 /nfs/dbraw/zinc/00/43/22/1192004322.db2.gz TXMPVCDGDOOLHQ-OKZBNKHCSA-N 2 0 319.493 3.069 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001671660050 1177019654 /nfs/dbraw/zinc/01/96/54/1177019654.db2.gz RIARJPYUJGAYDM-HKUYNNGSSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001691636707 1177402284 /nfs/dbraw/zinc/40/22/84/1177402284.db2.gz LENXZVAWZURWDW-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP N#CCOc1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC001332878812 1178513302 /nfs/dbraw/zinc/51/33/02/1178513302.db2.gz NOWQOYQLZAJXMC-LJQANCHMSA-N 2 0 309.413 3.159 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC001560296365 1189307411 /nfs/dbraw/zinc/30/74/11/1189307411.db2.gz NJOHRUOAUDCWHM-FUHWJXTLSA-N 2 0 302.462 3.461 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]CC2)cc1OC ZINC001574947744 1191459885 /nfs/dbraw/zinc/45/98/85/1191459885.db2.gz NFZOZKYXBAFTOG-INIZCTEOSA-N 2 0 318.461 3.129 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC001647037047 1195242420 /nfs/dbraw/zinc/24/24/20/1195242420.db2.gz LXCXTRBUBUXARA-IRXDYDNUSA-N 2 0 318.461 3.222 20 30 DGEDRP C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1O ZINC001655725490 1195956153 /nfs/dbraw/zinc/95/61/53/1195956153.db2.gz YLFBOVLDWVDDIO-IAGOWNOFSA-N 2 0 318.461 3.092 20 30 DGEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC001660251685 1196462736 /nfs/dbraw/zinc/46/27/36/1196462736.db2.gz ZWRDQCVJNTWDBJ-IUOOZTADSA-N 2 0 323.484 3.320 20 30 DGEDRP C=C(C)CC[N@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001663403806 1196858430 /nfs/dbraw/zinc/85/84/30/1196858430.db2.gz OUYRVBMBTOMFLX-UHFFFAOYSA-N 2 0 303.450 3.025 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000104169929 1199516820 /nfs/dbraw/zinc/51/68/20/1199516820.db2.gz MGZZSFXOTRPYHR-INIZCTEOSA-N 2 0 302.466 3.234 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)cc1 ZINC000304761071 1199670187 /nfs/dbraw/zinc/67/01/87/1199670187.db2.gz TZHXBALETYOALZ-UHFFFAOYSA-N 2 0 302.466 3.378 20 30 DGEDRP C#CCCC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209265755 1081704137 /nfs/dbraw/zinc/70/41/37/1081704137.db2.gz HROLKOPMIGTPHO-DFQSSKMNSA-N 2 0 311.473 3.027 20 30 DGEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361957 1082352733 /nfs/dbraw/zinc/35/27/33/1082352733.db2.gz KVVLCFYOASMNFJ-IOJLRTSASA-N 2 0 311.473 3.464 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029977 1086452854 /nfs/dbraw/zinc/45/28/54/1086452854.db2.gz LFPWRMKJGOVEML-QZTJIDSGSA-N 2 0 323.525 3.070 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367666 1088234312 /nfs/dbraw/zinc/23/43/12/1088234312.db2.gz BFDBIMLSGYBFFH-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156530632 1089564722 /nfs/dbraw/zinc/56/47/22/1089564722.db2.gz RTTAFTOAZSFZAR-QGZVFWFLSA-N 2 0 313.530 3.125 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001484720378 1089629131 /nfs/dbraw/zinc/62/91/31/1089629131.db2.gz NVZHUKNOYFRHOO-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001204302081 1090944314 /nfs/dbraw/zinc/94/43/14/1090944314.db2.gz ARLYSYCJFPTJJV-UHFFFAOYSA-N 2 0 323.440 3.277 20 30 DGEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC001204359692 1090955550 /nfs/dbraw/zinc/95/55/50/1090955550.db2.gz QIZPBIQVRMMLGK-VQTJNVASSA-N 2 0 311.473 3.490 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001205479110 1091231585 /nfs/dbraw/zinc/23/15/85/1091231585.db2.gz UHSRJWYXKZBIHX-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP CCCC[NH+]1CCC(N(C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139879297 1091700519 /nfs/dbraw/zinc/70/05/19/1091700519.db2.gz JIDCEMARARXVPV-UHFFFAOYSA-N 2 0 303.425 3.394 20 30 DGEDRP C[NH+]1CCC(CC[NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001207479269 1091982842 /nfs/dbraw/zinc/98/28/42/1091982842.db2.gz DVJGBAGCKAUDRV-UHFFFAOYSA-N 2 0 311.473 3.276 20 30 DGEDRP C=CCCCCCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001207899248 1092132612 /nfs/dbraw/zinc/13/26/12/1092132612.db2.gz RQSCOCGUWMENIM-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331922 1092316745 /nfs/dbraw/zinc/31/67/45/1092316745.db2.gz YOPUMNFKHOADHH-KRWDZBQOSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454691 1092360209 /nfs/dbraw/zinc/36/02/09/1092360209.db2.gz ZKSCEBOGWJBPDP-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001169096422 1092526542 /nfs/dbraw/zinc/52/65/42/1092526542.db2.gz WHCQDIUKPJPVCJ-BTTYYORXSA-N 2 0 311.351 3.036 20 30 DGEDRP C#CCCC[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209263926 1092717513 /nfs/dbraw/zinc/71/75/13/1092717513.db2.gz RGYIRCXLDRXXRN-SFHVURJKSA-N 2 0 300.446 3.369 20 30 DGEDRP C=CCCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001209440387 1092774564 /nfs/dbraw/zinc/77/45/64/1092774564.db2.gz JJOKOMORLIMYJJ-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP CC(C)(C#N)c1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210268850 1093103304 /nfs/dbraw/zinc/10/33/04/1093103304.db2.gz KLJOUOAVOHAPES-UHFFFAOYSA-N 2 0 321.428 3.036 20 30 DGEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790818 1094289683 /nfs/dbraw/zinc/28/96/83/1094289683.db2.gz IXVJFONKTCKBAQ-CVEARBPZSA-N 2 0 323.525 3.088 20 30 DGEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791160 1094290194 /nfs/dbraw/zinc/29/01/94/1094290194.db2.gz ONBGEVJXWICMMH-HZPDHXFCSA-N 2 0 323.525 3.088 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001336887885 1094773174 /nfs/dbraw/zinc/77/31/74/1094773174.db2.gz FSPLANOHEYNWEU-FHWLQOOXSA-N 2 0 314.473 3.414 20 30 DGEDRP C[C@@H](CCNC1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC001338632742 1095349899 /nfs/dbraw/zinc/34/98/99/1095349899.db2.gz WSKBXRPBCMLNAR-KKXNLOMOSA-N 2 0 311.473 3.464 20 30 DGEDRP C[NH+](C)CC1(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCC1 ZINC001116723373 1095643519 /nfs/dbraw/zinc/64/35/19/1095643519.db2.gz TWSWCDIXKPENMO-UHFFFAOYSA-N 2 0 311.473 3.322 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001171178864 1095651246 /nfs/dbraw/zinc/65/12/46/1095651246.db2.gz LHRSHWRUOLXWSS-MRXNPFEDSA-N 2 0 307.441 3.341 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001171192707 1095682631 /nfs/dbraw/zinc/68/26/31/1095682631.db2.gz ABSNZRUVHOPFFN-CQSZACIVSA-N 2 0 304.397 3.213 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1cccc(C#N)c1 ZINC001171203134 1095751427 /nfs/dbraw/zinc/75/14/27/1095751427.db2.gz JIEBKTDTLYGKIC-OAHLLOKOSA-N 2 0 320.440 3.156 20 30 DGEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC001340172052 1095894068 /nfs/dbraw/zinc/89/40/68/1095894068.db2.gz GFHXEMHDEVLVHM-QGZVFWFLSA-N 2 0 303.450 3.151 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340216184 1095909442 /nfs/dbraw/zinc/90/94/42/1095909442.db2.gz QROTVARVXRJTPR-IRXDYDNUSA-N 2 0 311.514 3.007 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001341148415 1096123773 /nfs/dbraw/zinc/12/37/73/1096123773.db2.gz LJSAYOGSQZGKLU-DLBZAZTESA-N 2 0 323.525 3.055 20 30 DGEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171919160 1097001259 /nfs/dbraw/zinc/00/12/59/1097001259.db2.gz WZNKZVGZHZABKN-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)C2 ZINC001172119018 1097064978 /nfs/dbraw/zinc/06/49/78/1097064978.db2.gz VDBGHBRBYMVVKY-BCDXTJNWSA-N 2 0 323.440 3.266 20 30 DGEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262219 1097085075 /nfs/dbraw/zinc/08/50/75/1097085075.db2.gz RSULQECBPHEBCE-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000170913398 1097307389 /nfs/dbraw/zinc/30/73/89/1097307389.db2.gz HNCAORXNJCIFGL-UHFFFAOYSA-N 2 0 302.466 3.376 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229851921 1097399510 /nfs/dbraw/zinc/39/95/10/1097399510.db2.gz AGVJMTAEWDCZGY-RCCFBDPRSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173323215 1097416822 /nfs/dbraw/zinc/41/68/22/1097416822.db2.gz TUOLYUOFYXYGDK-UHFFFAOYSA-N 2 0 306.494 3.451 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175574557 1098101723 /nfs/dbraw/zinc/10/17/23/1098101723.db2.gz XZYAQNWEAIIMKO-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728221 1098413957 /nfs/dbraw/zinc/41/39/57/1098413957.db2.gz GXHMYMLSENWHDI-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176759584 1098434316 /nfs/dbraw/zinc/43/43/16/1098434316.db2.gz KSXRGNZQJSPBPK-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277883691 1098655843 /nfs/dbraw/zinc/65/58/43/1098655843.db2.gz NLTWBECVNFZERI-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235226907 1098900021 /nfs/dbraw/zinc/90/00/21/1098900021.db2.gz BXLKBUGBUFYNBS-GOSISDBHSA-N 2 0 301.409 3.051 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235230643 1098903190 /nfs/dbraw/zinc/90/31/90/1098903190.db2.gz VXWVLGBITJJIQY-GOSISDBHSA-N 2 0 301.409 3.051 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178827405 1098944553 /nfs/dbraw/zinc/94/45/53/1098944553.db2.gz ITIJIFBKBMZTQD-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178827409 1098945136 /nfs/dbraw/zinc/94/51/36/1098945136.db2.gz ITIJIFBKBMZTQD-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001178916630 1098970999 /nfs/dbraw/zinc/97/09/99/1098970999.db2.gz KSADOKFORDNUSG-OAHLLOKOSA-N 2 0 320.864 3.174 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235429211 1099022435 /nfs/dbraw/zinc/02/24/35/1099022435.db2.gz QPUSBASZDUALEP-SJORKVTESA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431102 1099024363 /nfs/dbraw/zinc/02/43/63/1099024363.db2.gz UPEFDAULUSVVBU-SJORKVTESA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430704 1099027241 /nfs/dbraw/zinc/02/72/41/1099027241.db2.gz XHTWBVQJULUALZ-IAGOWNOFSA-N 2 0 317.864 3.423 20 30 DGEDRP N#CCCCC[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001277947967 1099059255 /nfs/dbraw/zinc/05/92/55/1099059255.db2.gz CHNCLCWAGRIOGR-UHFFFAOYSA-N 2 0 317.399 3.421 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534485 1099121339 /nfs/dbraw/zinc/12/13/39/1099121339.db2.gz NQCALVONSMOPFC-BZSNNMDCSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCCCCC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699880 1099134711 /nfs/dbraw/zinc/13/47/11/1099134711.db2.gz UIEOFAWLOVNGMM-UHFFFAOYSA-N 2 0 309.542 3.497 20 30 DGEDRP C=CCCCCCCCCC[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236074305 1099372185 /nfs/dbraw/zinc/37/21/85/1099372185.db2.gz XHMPHBNJLAUHPQ-IBGZPJMESA-N 2 0 307.526 3.401 20 30 DGEDRP CC[NH+](CC)Cc1cncc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240357024 1100957091 /nfs/dbraw/zinc/95/70/91/1100957091.db2.gz YUIMNACWABEOGT-UHFFFAOYSA-N 2 0 320.440 3.149 20 30 DGEDRP C[NH+](C)Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1F ZINC001240360796 1100959167 /nfs/dbraw/zinc/95/91/67/1100959167.db2.gz HPEUFOKPVMBAEV-UHFFFAOYSA-N 2 0 309.388 3.113 20 30 DGEDRP C#CCOC[C@H](O)C[NH2+]CCC[PH+](C(C)(C)C)C(C)(C)C ZINC001251903846 1102203946 /nfs/dbraw/zinc/20/39/46/1102203946.db2.gz PMOOAWHQOOIFQI-OAHLLOKOSA-N 2 0 315.438 3.056 20 30 DGEDRP CC#Cc1cncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001242941638 1102431481 /nfs/dbraw/zinc/43/14/81/1102431481.db2.gz SQFOFEDUQAYWOS-UHFFFAOYSA-N 2 0 305.425 3.043 20 30 DGEDRP N#Cc1c2c(cnc1-c1ccc([C@H]3CCC[NH2+]3)cc1)C[NH2+]CCC2 ZINC001245345498 1103995781 /nfs/dbraw/zinc/99/57/81/1103995781.db2.gz BEDMDVUGUCVTJX-LJQANCHMSA-N 2 0 318.424 3.081 20 30 DGEDRP Cc1ccc(C#N)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001245605084 1104147134 /nfs/dbraw/zinc/14/71/34/1104147134.db2.gz BKBGIAKZNHBWKN-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001245982062 1104345914 /nfs/dbraw/zinc/34/59/14/1104345914.db2.gz JOPXLCYKESKCGG-GJZGRUSLSA-N 2 0 324.431 3.230 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001245988596 1104346874 /nfs/dbraw/zinc/34/68/74/1104346874.db2.gz IOPQBHAMXSZZHA-GBESFXJTSA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245986013 1104347403 /nfs/dbraw/zinc/34/74/03/1104347403.db2.gz UOKZVXLGYBEMGZ-NCXUSEDFSA-N 2 0 310.526 3.323 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc(C[NH2+]C)c1 ZINC001246004378 1104350662 /nfs/dbraw/zinc/35/06/62/1104350662.db2.gz PEVMATKZKOXFBC-IBGZPJMESA-N 2 0 304.478 3.383 20 30 DGEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]CCOCC[NH3+] ZINC001246010428 1104351704 /nfs/dbraw/zinc/35/17/04/1104351704.db2.gz MJMNMNNHYUKRAL-SFHVURJKSA-N 2 0 316.530 3.223 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246026881 1104353410 /nfs/dbraw/zinc/35/34/10/1104353410.db2.gz VPDUFNWMRGEKAS-RBUKOAKNSA-N 2 0 308.510 3.340 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246035050 1104356354 /nfs/dbraw/zinc/35/63/54/1104356354.db2.gz NQVANSVCRDGADY-IEBWSBKVSA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035531 1104358142 /nfs/dbraw/zinc/35/81/42/1104358142.db2.gz SNZGGJREWATIQI-QRVBRYPASA-N 2 0 310.526 3.419 20 30 DGEDRP CCCCCCC[C@@H](CCC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088075 1104377261 /nfs/dbraw/zinc/37/72/61/1104377261.db2.gz INMSYDDPHUSTDZ-IXDOHACOSA-N 2 0 302.478 3.168 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+]CC1(C(=O)OC)CC[NH2+]CC1 ZINC001246099148 1104384214 /nfs/dbraw/zinc/38/42/14/1104384214.db2.gz WGHGKMJVRPCXOI-INIZCTEOSA-N 2 0 312.498 3.258 20 30 DGEDRP CCCCCCCCCC[C@@H](C)[NH2+]CCOCCOCC[NH3+] ZINC001246283383 1104471941 /nfs/dbraw/zinc/47/19/41/1104471941.db2.gz INLBLFGZTYOCQE-GOSISDBHSA-N 2 0 316.530 3.487 20 30 DGEDRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329537 1104492730 /nfs/dbraw/zinc/49/27/30/1104492730.db2.gz QKLNIKMGZVQVIE-FUHWJXTLSA-N 2 0 315.461 3.083 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246403605 1104529701 /nfs/dbraw/zinc/52/97/01/1104529701.db2.gz GNESVZRBKVFKBP-SJORKVTESA-N 2 0 313.530 3.478 20 30 DGEDRP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001274890389 1104535804 /nfs/dbraw/zinc/53/58/04/1104535804.db2.gz HOJZMNGCXSDCJC-FQEVSTJZSA-N 2 0 311.473 3.299 20 30 DGEDRP CCCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246643660 1104637851 /nfs/dbraw/zinc/63/78/51/1104637851.db2.gz CBFNRUVRZFSMAL-QYZOEREBSA-N 2 0 310.526 3.419 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246642503 1104642273 /nfs/dbraw/zinc/64/22/73/1104642273.db2.gz BVBBPJCXDOPPQD-OXJNMPFZSA-N 2 0 311.473 3.343 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246789029 1104676770 /nfs/dbraw/zinc/67/67/70/1104676770.db2.gz APHQOYJQEISSBT-UHFFFAOYSA-N 2 0 309.457 3.270 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](C3CCC4(C[NH2+]C4)CC3)CC2)cc1 ZINC001246807286 1104683679 /nfs/dbraw/zinc/68/36/79/1104683679.db2.gz QBMLFHNFFDBNQF-UHFFFAOYSA-N 2 0 323.484 3.345 20 30 DGEDRP CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246870942 1104714710 /nfs/dbraw/zinc/71/47/10/1104714710.db2.gz LWBLKESOOSNOJH-RTBURBONSA-N 2 0 309.542 3.480 20 30 DGEDRP C=CCOc1ccccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275707866 1104874603 /nfs/dbraw/zinc/87/46/03/1104874603.db2.gz BDLVVRFSAQAHJN-LJQANCHMSA-N 2 0 300.446 3.169 20 30 DGEDRP C=CCCCCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276036114 1104993569 /nfs/dbraw/zinc/99/35/69/1104993569.db2.gz OETRDLHRNSNLRZ-UHFFFAOYSA-N 2 0 302.466 3.054 20 30 DGEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001252579241 1105797571 /nfs/dbraw/zinc/79/75/71/1105797571.db2.gz KDGDOBLCINZBCV-GOSISDBHSA-N 2 0 322.880 3.079 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001253241303 1105908827 /nfs/dbraw/zinc/90/88/27/1105908827.db2.gz TYJYOPWNPUYOMC-SFHVURJKSA-N 2 0 308.510 3.292 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254655917 1106124102 /nfs/dbraw/zinc/12/41/02/1106124102.db2.gz GRYXJHUTDBZJSB-MUGJNUQGSA-N 2 0 322.456 3.322 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@H]2CC[C@@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254655919 1106124674 /nfs/dbraw/zinc/12/46/74/1106124674.db2.gz GRYXJHUTDBZJSB-WTGUMLROSA-N 2 0 322.456 3.322 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC001255307469 1106219985 /nfs/dbraw/zinc/21/99/85/1106219985.db2.gz CIIUMXHNKRGAMX-UHFFFAOYSA-N 2 0 319.537 3.247 20 30 DGEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001255950463 1106346853 /nfs/dbraw/zinc/34/68/53/1106346853.db2.gz HPKRRDNNPZANPG-MRXNPFEDSA-N 2 0 303.450 3.037 20 30 DGEDRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001255950461 1106347045 /nfs/dbraw/zinc/34/70/45/1106347045.db2.gz HPKRRDNNPZANPG-INIZCTEOSA-N 2 0 303.450 3.037 20 30 DGEDRP N#CC1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256960311 1106516096 /nfs/dbraw/zinc/51/60/96/1106516096.db2.gz RKKNBELQBPLYCZ-PSYANXERSA-N 2 0 312.461 3.236 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCC(C#N)CC4)C[C@H]3C2)cc1 ZINC001256966825 1106517761 /nfs/dbraw/zinc/51/77/61/1106517761.db2.gz OOTOYNUSOIPRLM-ODKCFSPTSA-N 2 0 323.484 3.441 20 30 DGEDRP CC[NH+]1C[C@H]2C[NH+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257023210 1106525729 /nfs/dbraw/zinc/52/57/29/1106525729.db2.gz WYAHMARUDCBRMM-OMYXNUHHSA-N 2 0 323.484 3.468 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001263126968 1107954678 /nfs/dbraw/zinc/95/46/78/1107954678.db2.gz BPSGGFMRDJMYMN-BZSNNMDCSA-N 2 0 323.525 3.055 20 30 DGEDRP CN(c1ccccc1C[NH2+]CCCCC#N)C1CC[NH+](C)CC1 ZINC000177577232 530037097 /nfs/dbraw/zinc/03/70/97/530037097.db2.gz TZVAPGKTJQWSSQ-UHFFFAOYSA-N 2 0 314.477 3.000 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000339203485 283058660 /nfs/dbraw/zinc/05/86/60/283058660.db2.gz VCVUWNKUHSQPGE-ZRNYENFQSA-N 2 0 309.457 3.133 20 30 DGEDRP N#Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180274514 199140630 /nfs/dbraw/zinc/14/06/30/199140630.db2.gz CRACLRADDXQIQR-UHFFFAOYSA-N 2 0 312.442 3.021 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181616333 299289781 /nfs/dbraw/zinc/28/97/81/299289781.db2.gz OGDNMHPVDKOTTB-BBWFWOEESA-N 2 0 315.461 3.098 20 30 DGEDRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000281575728 216395416 /nfs/dbraw/zinc/39/54/16/216395416.db2.gz CVMDUVDAZXPZEI-INIZCTEOSA-N 2 0 315.461 3.311 20 30 DGEDRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000443967807 239244470 /nfs/dbraw/zinc/24/44/70/239244470.db2.gz DHJFEGVRGKNKDV-UHFFFAOYSA-N 2 0 323.440 3.097 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000449184736 240056709 /nfs/dbraw/zinc/05/67/09/240056709.db2.gz IHDZLZXLRBHYJZ-YTQUADARSA-N 2 0 308.510 3.479 20 30 DGEDRP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000596059644 400306054 /nfs/dbraw/zinc/30/60/54/400306054.db2.gz UEJFKTIBVWEDFS-IBGZPJMESA-N 2 0 323.484 3.453 20 30 DGEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602593790 400506964 /nfs/dbraw/zinc/50/69/64/400506964.db2.gz OTQCVECWAWVUKM-UHFFFAOYSA-N 2 0 308.429 3.083 20 30 DGEDRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000590957389 400468639 /nfs/dbraw/zinc/46/86/39/400468639.db2.gz VALFSEPDMSPKSL-OAHLLOKOSA-N 2 0 306.413 3.273 20 30 DGEDRP C=CCCSCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649722 400472421 /nfs/dbraw/zinc/47/24/21/400472421.db2.gz GFHWZRDZQYFXHJ-SJLPKXTDSA-N 2 0 318.486 3.141 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000602515543 400484676 /nfs/dbraw/zinc/48/46/76/400484676.db2.gz YBTYQJJWDIIYIU-QZTJIDSGSA-N 2 0 321.509 3.187 20 30 DGEDRP N#CC1(c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000597012749 400539208 /nfs/dbraw/zinc/53/92/08/400539208.db2.gz BRLLXDZKKDTMLX-GOSISDBHSA-N 2 0 309.457 3.159 20 30 DGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573316 400541305 /nfs/dbraw/zinc/54/13/05/400541305.db2.gz ITWYBUUSCAQDCW-LLVKDONJSA-N 2 0 314.820 3.225 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000591573454 400541877 /nfs/dbraw/zinc/54/18/77/400541877.db2.gz YWAYKTBACJJCAS-DJIMGWMZSA-N 2 0 303.837 3.222 20 30 DGEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCSCC#N)C2)CC1 ZINC000074989777 400552050 /nfs/dbraw/zinc/55/20/50/400552050.db2.gz UOTHOCWNWRPYKM-KRWDZBQOSA-N 2 0 309.523 3.077 20 30 DGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cn1 ZINC000599660254 401106650 /nfs/dbraw/zinc/10/66/50/401106650.db2.gz KZKYQPUMBVTSAG-UHFFFAOYSA-N 2 0 308.429 3.037 20 30 DGEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1 ZINC000191295147 165241964 /nfs/dbraw/zinc/24/19/64/165241964.db2.gz KUDPWWBJRSWSHJ-APWZRJJASA-N 2 0 322.456 3.039 20 30 DGEDRP N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000192121966 165283618 /nfs/dbraw/zinc/28/36/18/165283618.db2.gz YCMLQHGKHAXYCD-VQIMIIECSA-N 2 0 313.420 3.146 20 30 DGEDRP C[NH+](C)CCCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000123281534 431861114 /nfs/dbraw/zinc/86/11/14/431861114.db2.gz FQRPCEJGMJSKDF-UHFFFAOYSA-N 2 0 303.425 3.251 20 30 DGEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008099 432388938 /nfs/dbraw/zinc/38/89/38/432388938.db2.gz RPDLHZGHYOXOFT-ROUUACIJSA-N 2 0 315.461 3.332 20 30 DGEDRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000276899776 432826910 /nfs/dbraw/zinc/82/69/10/432826910.db2.gz NCKVNAZQVQTULB-INIZCTEOSA-N 2 0 315.461 3.362 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000268092239 432843778 /nfs/dbraw/zinc/84/37/78/432843778.db2.gz UJXMGCMPQWUOHZ-MRXNPFEDSA-N 2 0 302.466 3.008 20 30 DGEDRP C=C(C)COCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245667953 432854007 /nfs/dbraw/zinc/85/40/07/432854007.db2.gz GWBFNRBSWKFURJ-OWZKRDHZSA-N 2 0 314.473 3.364 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281340063 433288651 /nfs/dbraw/zinc/28/86/51/433288651.db2.gz UNABMZCKOAMQKQ-GOSISDBHSA-N 2 0 303.425 3.302 20 30 DGEDRP CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452682 433500479 /nfs/dbraw/zinc/50/04/79/433500479.db2.gz YFESCRNDSFDISP-MAUKXSAKSA-N 2 0 304.865 3.496 20 30 DGEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000283969468 433806041 /nfs/dbraw/zinc/80/60/41/433806041.db2.gz FGOMNUVYTQYXFT-HZPDHXFCSA-N 2 0 324.424 3.103 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000285978760 434122566 /nfs/dbraw/zinc/12/25/66/434122566.db2.gz HMUJJYQFSBSNOK-MSOLQXFVSA-N 2 0 319.493 3.150 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000424207179 434660168 /nfs/dbraw/zinc/66/01/68/434660168.db2.gz XCKWVXUQAUGUKP-QFBILLFUSA-N 2 0 315.436 3.114 20 30 DGEDRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000466420440 435076475 /nfs/dbraw/zinc/07/64/75/435076475.db2.gz AZZXIYWEMQCILY-DYESRHJHSA-N 2 0 319.452 3.353 20 30 DGEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000559071463 435120217 /nfs/dbraw/zinc/12/02/17/435120217.db2.gz CAIYONQRCBJESM-SFHVURJKSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(OC)c1O ZINC000650711222 435999102 /nfs/dbraw/zinc/99/91/02/435999102.db2.gz MIEXGIBFSOIXHC-RHSMWYFYSA-N 2 0 318.461 3.079 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543380 436079219 /nfs/dbraw/zinc/07/92/19/436079219.db2.gz MANQONFAMAPPOT-ZWKOTPCHSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594847 436257858 /nfs/dbraw/zinc/25/78/58/436257858.db2.gz DEBMJTRNLZKSJS-UXPWSPDFSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811767 436314606 /nfs/dbraw/zinc/31/46/06/436314606.db2.gz FGVQEXRALRAXQO-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCCC[C@H](C)[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000562990768 333020642 /nfs/dbraw/zinc/02/06/42/333020642.db2.gz FRAKIQBOMBQLKB-IRXDYDNUSA-N 2 0 315.461 3.348 20 30 DGEDRP C=CCOCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000470759402 534876142 /nfs/dbraw/zinc/87/61/42/534876142.db2.gz FHJVANWGKLHLTG-RUYXUALKSA-N 2 0 316.489 3.325 20 30 DGEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000152937398 526602505 /nfs/dbraw/zinc/60/25/05/526602505.db2.gz BNVGFMZIAAGCTG-UHFFFAOYSA-N 2 0 319.537 3.414 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181823097 528968419 /nfs/dbraw/zinc/96/84/19/528968419.db2.gz OMUVTHWXJXWAAC-INIZCTEOSA-N 2 0 315.461 3.362 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181699699 529015851 /nfs/dbraw/zinc/01/58/51/529015851.db2.gz IWVVXWQFBLWFCZ-IRXDYDNUSA-N 2 0 315.461 3.360 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886360 574944790 /nfs/dbraw/zinc/94/47/90/574944790.db2.gz OCNXFHLLUVXCJM-WMZOPIPTSA-N 2 0 315.461 3.132 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926345137 617957717 /nfs/dbraw/zinc/95/77/17/617957717.db2.gz ZQZHPZLLDAYJCT-IPELMVKDSA-N 2 0 302.462 3.380 20 30 DGEDRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000896880873 618974520 /nfs/dbraw/zinc/97/45/20/618974520.db2.gz SDMNVUVVZPZNLL-UHFFFAOYSA-N 2 0 306.413 3.020 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000903100452 619716213 /nfs/dbraw/zinc/71/62/13/619716213.db2.gz SMOHZHMILGWBDA-QGZVFWFLSA-N 2 0 322.880 3.394 20 30 DGEDRP N#CC1(CCCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000903769470 619810156 /nfs/dbraw/zinc/81/01/56/619810156.db2.gz GXXYWJWUVGKIIQ-ZIAGYGMSSA-N 2 0 317.399 3.310 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765011440 622239587 /nfs/dbraw/zinc/23/95/87/622239587.db2.gz MPGNBRYALABVBV-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000122484483 622334827 /nfs/dbraw/zinc/33/48/27/622334827.db2.gz VUIDCQKROGICPN-MRXNPFEDSA-N 2 0 316.493 3.265 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000774245462 623124438 /nfs/dbraw/zinc/12/44/38/623124438.db2.gz UOSAEJQTFUNINE-HQSKLWIPSA-N 2 0 313.445 3.082 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC000877684099 623990946 /nfs/dbraw/zinc/99/09/46/623990946.db2.gz GBYXJOSGZXGINZ-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CC[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000879018965 624409048 /nfs/dbraw/zinc/40/90/48/624409048.db2.gz LPUPIZFAGSXZLW-LPHOPBHVSA-N 2 0 317.477 3.340 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000791010636 625737065 /nfs/dbraw/zinc/73/70/65/625737065.db2.gz GTHMAEOOVCXBAT-MRXNPFEDSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1Cc2ccccc2O1 ZINC000883180931 625957561 /nfs/dbraw/zinc/95/75/61/625957561.db2.gz OHQZSHAIFMICLF-PKOBYXMFSA-N 2 0 302.462 3.256 20 30 DGEDRP C=CCCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000883187686 625961149 /nfs/dbraw/zinc/96/11/49/625961149.db2.gz TZXQYONROMXNAW-QUCCMNQESA-N 2 0 315.505 3.310 20 30 DGEDRP N#CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605636 627171418 /nfs/dbraw/zinc/17/14/18/627171418.db2.gz VWMGVVAKIFKEOW-FHWLQOOXSA-N 2 0 309.457 3.323 20 30 DGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886605739 627171592 /nfs/dbraw/zinc/17/15/92/627171592.db2.gz XIZWMZYSGRKXOE-TXQGORRRSA-N 2 0 306.494 3.354 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000925729871 627783938 /nfs/dbraw/zinc/78/39/38/627783938.db2.gz SXOSVRLAEIBMQQ-PMACEKPBSA-N 2 0 305.425 3.095 20 30 DGEDRP CCCCCCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817286070 627877570 /nfs/dbraw/zinc/87/75/70/627877570.db2.gz QAHSOWJKKCEXTP-UHFFFAOYSA-N 2 0 309.542 3.449 20 30 DGEDRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817407440 627894071 /nfs/dbraw/zinc/89/40/71/627894071.db2.gz OOSSOTWFZBFPKI-INIZCTEOSA-N 2 0 300.381 3.098 20 30 DGEDRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000926811974 627959520 /nfs/dbraw/zinc/95/95/20/627959520.db2.gz JBTIOOSDIWJNPH-HXUWFJFHSA-N 2 0 311.473 3.126 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000827564621 628971326 /nfs/dbraw/zinc/97/13/26/628971326.db2.gz DWUSPBHVCRDPEJ-LSTHTHJFSA-N 2 0 318.505 3.048 20 30 DGEDRP C#CC[N@H+](C)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000834813930 629783317 /nfs/dbraw/zinc/78/33/17/629783317.db2.gz ASUGUDLXPKAEBY-UHFFFAOYSA-N 2 0 321.553 3.210 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000840810011 630360934 /nfs/dbraw/zinc/36/09/34/630360934.db2.gz ZRJQIXYTDBNIOQ-DLBZAZTESA-N 2 0 300.446 3.081 20 30 DGEDRP C[NH+](C)CCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000848989949 631799499 /nfs/dbraw/zinc/79/94/99/631799499.db2.gz NCJSWFUHVDPHOA-UHFFFAOYSA-N 2 0 302.466 3.282 20 30 DGEDRP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000066244442 655939315 /nfs/dbraw/zinc/93/93/15/655939315.db2.gz NOYCTUGTDKWMGR-UHFFFAOYSA-N 2 0 314.477 3.041 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303262437 657526312 /nfs/dbraw/zinc/52/63/12/657526312.db2.gz PTWAUUUSBLHWIM-CVEARBPZSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[NH+]2CCCCC2)cc1 ZINC000303769062 657561079 /nfs/dbraw/zinc/56/10/79/657561079.db2.gz ATHGVNICFFFGFE-OAHLLOKOSA-N 2 0 302.466 3.413 20 30 DGEDRP CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCCC1 ZINC000303781470 657562731 /nfs/dbraw/zinc/56/27/31/657562731.db2.gz MIEXQIVBHLYHCF-UHFFFAOYSA-N 2 0 314.477 3.166 20 30 DGEDRP CCCCCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000303788151 657563444 /nfs/dbraw/zinc/56/34/44/657563444.db2.gz TZLAKHUASDJBMB-HNNXBMFYSA-N 2 0 322.522 3.370 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303790670 657563500 /nfs/dbraw/zinc/56/35/00/657563500.db2.gz WRHLCQWTQHGUPW-INIZCTEOSA-N 2 0 316.493 3.121 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000303789104 657563955 /nfs/dbraw/zinc/56/39/55/657563955.db2.gz VBWBDGZHKIEBLJ-UHFFFAOYSA-N 2 0 324.472 3.498 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303872452 657570379 /nfs/dbraw/zinc/57/03/79/657570379.db2.gz BYNSTJZJKFWHKX-INIZCTEOSA-N 2 0 316.493 3.488 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303902926 657577238 /nfs/dbraw/zinc/57/72/38/657577238.db2.gz UIGNKIOTDPHHSK-HUUCEWRRSA-N 2 0 302.466 3.096 20 30 DGEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C1 ZINC000303904090 657577341 /nfs/dbraw/zinc/57/73/41/657577341.db2.gz URULSOMJDZYZBK-HNNXBMFYSA-N 2 0 316.493 3.121 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303970293 657582475 /nfs/dbraw/zinc/58/24/75/657582475.db2.gz CMXXDMGLFIOJLR-UHFFFAOYSA-N 2 0 316.493 3.075 20 30 DGEDRP CC(C)[N@H+](C)CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303988959 657585668 /nfs/dbraw/zinc/58/56/68/657585668.db2.gz XARBJXBSMMLCOU-UHFFFAOYSA-N 2 0 302.466 3.281 20 30 DGEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccccc1 ZINC000304765746 657650419 /nfs/dbraw/zinc/65/04/19/657650419.db2.gz ZQXANANFOFXTQV-JKSUJKDBSA-N 2 0 316.493 3.162 20 30 DGEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305066019 657672078 /nfs/dbraw/zinc/67/20/78/657672078.db2.gz MYIGEJVWOPQDCR-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NC(C)(C)C ZINC000262756586 658014333 /nfs/dbraw/zinc/01/43/33/658014333.db2.gz BQXTZZSWBUEAIG-DZGCQCFKSA-N 2 0 322.522 3.095 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165291239 658974012 /nfs/dbraw/zinc/97/40/12/658974012.db2.gz NDVSWZNQUQFZMF-IAGOWNOFSA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C[NH+]1CCCCC1 ZINC000237546259 659928043 /nfs/dbraw/zinc/92/80/43/659928043.db2.gz SBZAQXBTWJLXRE-SJORKVTESA-N 2 0 315.461 3.189 20 30 DGEDRP CN(Cc1cc(Cl)cc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461694 661400853 /nfs/dbraw/zinc/40/08/53/661400853.db2.gz YQBCFJWAMOEBPW-SJPCQFCGSA-N 2 0 303.837 3.269 20 30 DGEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000931762844 661506503 /nfs/dbraw/zinc/50/65/03/661506503.db2.gz AMYFTAHMOUGNLA-KRWDZBQOSA-N 2 0 312.461 3.456 20 30 DGEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000083030144 662192758 /nfs/dbraw/zinc/19/27/58/662192758.db2.gz XBPRWDFUUZSLSC-UHFFFAOYSA-N 2 0 324.428 3.111 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001341634614 1179041811 /nfs/dbraw/zinc/04/18/11/1179041811.db2.gz QSFBGKXKDVDNIW-ROUUACIJSA-N 2 0 323.525 3.055 20 30 DGEDRP CC(C)C[N@@H+](Cc1cccc(C#N)c1F)CC1CC[NH+](C)CC1 ZINC001644258437 1195094021 /nfs/dbraw/zinc/09/40/21/1195094021.db2.gz CJTKVRZKZZZIQA-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP CC(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC001654595160 1195821584 /nfs/dbraw/zinc/82/15/84/1195821584.db2.gz VAMLBSVRYQDGRE-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001657522618 1196151259 /nfs/dbraw/zinc/15/12/59/1196151259.db2.gz IFQXWLUMARQDDZ-LPHOPBHVSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CCOc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001658154703 1196218710 /nfs/dbraw/zinc/21/87/10/1196218710.db2.gz QBPBCJABSVMKKZ-UHFFFAOYSA-N 2 0 323.440 3.405 20 30 DGEDRP C=CCOCCC[NH2+][C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001659674859 1196405160 /nfs/dbraw/zinc/40/51/60/1196405160.db2.gz XOVJNWMOFYCKAE-HKUYNNGSSA-N 2 0 302.462 3.222 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001659707188 1196407200 /nfs/dbraw/zinc/40/72/00/1196407200.db2.gz KAYFFZXXYQZPBC-LJQANCHMSA-N 2 0 311.473 3.339 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666901997 1197297231 /nfs/dbraw/zinc/29/72/31/1197297231.db2.gz AEKDTNZRCOOPDY-IAGOWNOFSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001671428805 1197540154 /nfs/dbraw/zinc/54/01/54/1197540154.db2.gz MFUAIBCMVZNKEB-KRWDZBQOSA-N 2 0 323.525 3.044 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303911276 1199601555 /nfs/dbraw/zinc/60/15/55/1199601555.db2.gz ZKHGSEVYQAYORX-IYBDPMFKSA-N 2 0 302.466 3.090 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000304741337 1199669573 /nfs/dbraw/zinc/66/95/73/1199669573.db2.gz CBBUMHODSTXPQY-IBGZPJMESA-N 2 0 322.456 3.386 20 30 DGEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001692329997 1201022131 /nfs/dbraw/zinc/02/21/31/1201022131.db2.gz ROFHTGPPXKZZNR-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001692333997 1201023847 /nfs/dbraw/zinc/02/38/47/1201023847.db2.gz QMNLGSIUFNTOQH-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291110 1201520708 /nfs/dbraw/zinc/52/07/08/1201520708.db2.gz NBNIZNRPKHYMRU-GOSISDBHSA-N 2 0 322.456 3.244 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157391975 1202602370 /nfs/dbraw/zinc/60/23/70/1202602370.db2.gz ZHHWGAQCLBGGRQ-MRXNPFEDSA-N 2 0 302.466 3.090 20 30 DGEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909584 1088821732 /nfs/dbraw/zinc/82/17/32/1088821732.db2.gz QJKPQAHHGGCSHG-QGZVFWFLSA-N 2 0 313.530 3.125 20 30 DGEDRP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809425 1081658254 /nfs/dbraw/zinc/65/82/54/1081658254.db2.gz HBVHILMINZORPE-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209422750 1081742601 /nfs/dbraw/zinc/74/26/01/1081742601.db2.gz HKGLUISPSUGMEE-UHFFFAOYSA-N 2 0 316.493 3.083 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267025986 1082444026 /nfs/dbraw/zinc/44/40/26/1082444026.db2.gz ACEZPSSXAPOFBM-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267025987 1082444499 /nfs/dbraw/zinc/44/44/99/1082444499.db2.gz ACEZPSSXAPOFBM-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365485 1082890368 /nfs/dbraw/zinc/89/03/68/1082890368.db2.gz KTYLBSFYFVTSNV-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420068 1082903721 /nfs/dbraw/zinc/90/37/21/1082903721.db2.gz MHVQTCQTYZPDHH-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170770508 1083328791 /nfs/dbraw/zinc/32/87/91/1083328791.db2.gz ZHBRXSPHDJXCNH-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165247280 1090487871 /nfs/dbraw/zinc/48/78/71/1090487871.db2.gz ZTQRSALRYWQZKL-UHFFFAOYSA-N 2 0 323.481 3.021 20 30 DGEDRP C#CCOc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001138560523 1091229975 /nfs/dbraw/zinc/22/99/75/1091229975.db2.gz YITAQLAJWRBEFE-UHFFFAOYSA-N 2 0 312.457 3.006 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC001206373075 1091603655 /nfs/dbraw/zinc/60/36/55/1091603655.db2.gz IKNYMEAGCKSJRR-FQEVSTJZSA-N 2 0 324.472 3.435 20 30 DGEDRP C=CCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209423892 1092769369 /nfs/dbraw/zinc/76/93/69/1092769369.db2.gz GCUWSUJVQIXEHF-UXHICEINSA-N 2 0 320.521 3.413 20 30 DGEDRP C=CCCCCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001209423511 1092770397 /nfs/dbraw/zinc/77/03/97/1092770397.db2.gz WCFGVWBCRHDSSJ-WOJBJXKFSA-N 2 0 320.521 3.413 20 30 DGEDRP C=CCCCCC[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001209433537 1092772946 /nfs/dbraw/zinc/77/29/46/1092772946.db2.gz ZSKVATHPBTYBIP-UHFFFAOYSA-N 2 0 305.510 3.024 20 30 DGEDRP C=CCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001209433046 1092773024 /nfs/dbraw/zinc/77/30/24/1092773024.db2.gz OWCMSQYFDBPYFA-QGZVFWFLSA-N 2 0 322.493 3.082 20 30 DGEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135078141 1094391415 /nfs/dbraw/zinc/39/14/15/1094391415.db2.gz ZHOZZTAEDHHZSD-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP c1ccc([S+](CCO[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001217787736 1094495606 /nfs/dbraw/zinc/49/56/06/1094495606.db2.gz TUJAWLZKSWSZTI-MRXNPFEDSA-N 2 0 300.447 3.101 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314409 1095546604 /nfs/dbraw/zinc/54/66/04/1095546604.db2.gz FSNZRWQXGYOJKD-LJQANCHMSA-N 2 0 300.446 3.360 20 30 DGEDRP Cc1cnccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231406 1095863448 /nfs/dbraw/zinc/86/34/48/1095863448.db2.gz JDZIJDNYGQSBCI-QFBILLFUSA-N 2 0 321.424 3.346 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330686 1096362027 /nfs/dbraw/zinc/36/20/27/1096362027.db2.gz ULWFOLPFSGTMPT-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330860 1096362143 /nfs/dbraw/zinc/36/21/43/1096362143.db2.gz VVHQAXCJMGZYPV-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277232781 1096971836 /nfs/dbraw/zinc/97/18/36/1096971836.db2.gz AAIDWHOTAZMFTG-UHFFFAOYSA-N 2 0 311.473 3.428 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001172299707 1097109746 /nfs/dbraw/zinc/10/97/46/1097109746.db2.gz NLUYNGOMHGCGMC-INIZCTEOSA-N 2 0 311.473 3.473 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172383029 1097141060 /nfs/dbraw/zinc/14/10/60/1097141060.db2.gz NRXQIDNSMXDUSC-VAMGGRTRSA-N 2 0 319.537 3.103 20 30 DGEDRP C=CCOC1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001173319660 1097429399 /nfs/dbraw/zinc/42/93/99/1097429399.db2.gz QQXUWLGCIUWJRU-UHFFFAOYSA-N 2 0 315.461 3.167 20 30 DGEDRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001232148191 1097951710 /nfs/dbraw/zinc/95/17/10/1097951710.db2.gz YBFLPDPSNNFONJ-UHFFFAOYSA-N 2 0 311.404 3.391 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815635 1098439996 /nfs/dbraw/zinc/43/99/96/1098439996.db2.gz SCGZEXUDPQOVPZ-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235154499 1098840432 /nfs/dbraw/zinc/84/04/32/1098840432.db2.gz MAQPRKYLRQOSCQ-FQEVSTJZSA-N 2 0 312.457 3.053 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235231378 1098903832 /nfs/dbraw/zinc/90/38/32/1098903832.db2.gz YAYBJKCRSIQKCH-SFHVURJKSA-N 2 0 301.409 3.051 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1)c1ccccc1 ZINC001235339137 1098962181 /nfs/dbraw/zinc/96/21/81/1098962181.db2.gz DILOVDDZAZTUOA-NRFANRHFSA-N 2 0 316.448 3.128 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235423674 1099015237 /nfs/dbraw/zinc/01/52/37/1099015237.db2.gz GGRPHTSFIFAZDE-QZTJIDSGSA-N 2 0 314.473 3.332 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425554 1099019369 /nfs/dbraw/zinc/01/93/69/1099019369.db2.gz LVSACYOOLHJIAV-VQTJNVASSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430702 1099026730 /nfs/dbraw/zinc/02/67/30/1099026730.db2.gz XHTWBVQJULUALZ-DLBZAZTESA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430705 1099026909 /nfs/dbraw/zinc/02/69/09/1099026909.db2.gz XHTWBVQJULUALZ-IRXDYDNUSA-N 2 0 317.864 3.423 20 30 DGEDRP CCc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC001235431194 1099029159 /nfs/dbraw/zinc/02/91/59/1099029159.db2.gz MPYYHACNBVWIGD-UXHICEINSA-N 2 0 311.473 3.332 20 30 DGEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179748745 1099198250 /nfs/dbraw/zinc/19/82/50/1099198250.db2.gz IASIFXBEXJBBGU-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C(#Cc1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235937572 1099272429 /nfs/dbraw/zinc/27/24/29/1099272429.db2.gz IYYCOIFVHXLAMM-FGZHOGPDSA-N 2 0 316.448 3.128 20 30 DGEDRP COc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001236551218 1099677835 /nfs/dbraw/zinc/67/78/35/1099677835.db2.gz OZXLKVKFQUIUAV-IYARVYRRSA-N 2 0 315.461 3.295 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236599586 1099695100 /nfs/dbraw/zinc/69/51/00/1099695100.db2.gz SYRFLRRDZRUUIR-QGZVFWFLSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CCCCCCCCC[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236616410 1099706625 /nfs/dbraw/zinc/70/66/25/1099706625.db2.gz MURFIFGGMGEKHU-GOSISDBHSA-N 2 0 307.526 3.401 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236617340 1099707789 /nfs/dbraw/zinc/70/77/89/1099707789.db2.gz UJIKNXSABNCCEJ-BLGFXRMMSA-N 2 0 307.526 3.401 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236621796 1099710049 /nfs/dbraw/zinc/71/00/49/1099710049.db2.gz JWWAZJCCOZDDEZ-CSHXORCISA-N 2 0 307.526 3.401 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(C#N)c1 ZINC001236962764 1099894071 /nfs/dbraw/zinc/89/40/71/1099894071.db2.gz RLVTZFBUZADDKW-UHFFFAOYSA-N 2 0 311.473 3.468 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001236974895 1099898419 /nfs/dbraw/zinc/89/84/19/1099898419.db2.gz GOMBRNXGVFGTTJ-UHFFFAOYSA-N 2 0 315.436 3.299 20 30 DGEDRP CCCCCCCCCOC(=O)NCCC[NH2+]CCCC[NH3+] ZINC001239325464 1100633703 /nfs/dbraw/zinc/63/37/03/1100633703.db2.gz AMTOCAPCPKHBMB-UHFFFAOYSA-N 2 0 315.502 3.182 20 30 DGEDRP N#Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1F ZINC001240161155 1100884458 /nfs/dbraw/zinc/88/44/58/1100884458.db2.gz YULSXGFZPRQINU-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258715876 1103513011 /nfs/dbraw/zinc/51/30/11/1103513011.db2.gz NCXNXIMVPMNEFL-HZPDHXFCSA-N 2 0 300.487 3.099 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+]C1(CC2CC2)CC[NH2+]CC1 ZINC001245997471 1104348294 /nfs/dbraw/zinc/34/82/94/1104348294.db2.gz PBRMCSIHYBNIEL-SFHVURJKSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246071253 1104364919 /nfs/dbraw/zinc/36/49/19/1104364919.db2.gz YMVBRBFXJGMVEP-IBGZPJMESA-N 2 0 320.452 3.015 20 30 DGEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001274374936 1104365436 /nfs/dbraw/zinc/36/54/36/1104365436.db2.gz DZAGISNGPOANNQ-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)C2 ZINC001246135276 1104401323 /nfs/dbraw/zinc/40/13/23/1104401323.db2.gz QECBSMVSNKJCRF-WFFDWFOESA-N 2 0 304.478 3.012 20 30 DGEDRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329539 1104493376 /nfs/dbraw/zinc/49/33/76/1104493376.db2.gz QKLNIKMGZVQVIE-WMZOPIPTSA-N 2 0 315.461 3.083 20 30 DGEDRP CC[C@@H]1CC([NH2+]CCCOc2cccc(C#N)c2)C[C@@H](CC)[NH2+]1 ZINC001246331467 1104494596 /nfs/dbraw/zinc/49/45/96/1104494596.db2.gz XHCYHZXTFLVJRE-IAGOWNOFSA-N 2 0 315.461 3.226 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CC1(c2ccccc2OC)CC[NH2+]CC1 ZINC001246413914 1104532913 /nfs/dbraw/zinc/53/29/13/1104532913.db2.gz GLRDYKSKJNIJQV-INIZCTEOSA-N 2 0 302.462 3.261 20 30 DGEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)C)cc1C#N ZINC001275050398 1104593719 /nfs/dbraw/zinc/59/37/19/1104593719.db2.gz DRUHSJQBHBZQGV-ALOPSCKCSA-N 2 0 314.477 3.028 20 30 DGEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246585979 1104605585 /nfs/dbraw/zinc/60/55/85/1104605585.db2.gz ZIICROHDEFCGHW-QHGAOEGBSA-N 2 0 311.473 3.451 20 30 DGEDRP CCCCCCC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275131861 1104642492 /nfs/dbraw/zinc/64/24/92/1104642492.db2.gz YXNTYOOQBIHQOO-UHFFFAOYSA-N 2 0 304.482 3.278 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246665810 1104654462 /nfs/dbraw/zinc/65/44/62/1104654462.db2.gz QNEGSTMTGVWYDB-UZLBHIALSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246666939 1104654768 /nfs/dbraw/zinc/65/47/68/1104654768.db2.gz SWWLBQUNLGFZNN-OXQOHEQNSA-N 2 0 311.473 3.343 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)cn1 ZINC001275296199 1104711786 /nfs/dbraw/zinc/71/17/86/1104711786.db2.gz VFQRTCDTWPZVIS-VQTJNVASSA-N 2 0 324.472 3.420 20 30 DGEDRP CCCCCCC[C@H](CC)[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246870941 1104715292 /nfs/dbraw/zinc/71/52/92/1104715292.db2.gz LWBLKESOOSNOJH-RBUKOAKNSA-N 2 0 309.542 3.480 20 30 DGEDRP C=CCCCCCCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276047252 1105004945 /nfs/dbraw/zinc/00/49/45/1105004945.db2.gz JMQGRRVKYICYLO-VQTJNVASSA-N 2 0 321.553 3.471 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001252586244 1105798622 /nfs/dbraw/zinc/79/86/22/1105798622.db2.gz DPQYXVBCCLGRKX-HXUWFJFHSA-N 2 0 316.489 3.205 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001253242458 1105908198 /nfs/dbraw/zinc/90/81/98/1105908198.db2.gz LCOLTLMILPRPCT-QRVBRYPASA-N 2 0 308.510 3.148 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001253241302 1105908259 /nfs/dbraw/zinc/90/82/59/1105908259.db2.gz TYJYOPWNPUYOMC-GOSISDBHSA-N 2 0 308.510 3.292 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643870 1106120702 /nfs/dbraw/zinc/12/07/02/1106120702.db2.gz NZQJAJBVEHNYOK-WAPOTWQKSA-N 2 0 309.457 3.464 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001254651036 1106122662 /nfs/dbraw/zinc/12/26/62/1106122662.db2.gz ZWAHQUKHEQZXED-FUHWJXTLSA-N 2 0 315.436 3.320 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001254665771 1106127797 /nfs/dbraw/zinc/12/77/97/1106127797.db2.gz PXBHWJOQKSOTOF-WMZOPIPTSA-N 2 0 313.445 3.260 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1 ZINC001254665577 1106127815 /nfs/dbraw/zinc/12/78/15/1106127815.db2.gz OKJTXJFUMGCWHD-HKUYNNGSSA-N 2 0 324.472 3.062 20 30 DGEDRP CC[NH+](CC)CC[C@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001255950507 1106346933 /nfs/dbraw/zinc/34/69/33/1106346933.db2.gz IOFZJOXLDOIFHX-INIZCTEOSA-N 2 0 303.450 3.037 20 30 DGEDRP N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853593 1106497940 /nfs/dbraw/zinc/49/79/40/1106497940.db2.gz LDODVGLLKNPMOE-HXUWFJFHSA-N 2 0 318.424 3.199 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001258728106 1106933475 /nfs/dbraw/zinc/93/34/75/1106933475.db2.gz LHOMBOBQIXTILK-NZSAHSFTSA-N 2 0 306.494 3.021 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](CC)C[C@@H](C)CC)CC1 ZINC001258796570 1106981807 /nfs/dbraw/zinc/98/18/07/1106981807.db2.gz DIACRRLHIRKFCB-VQTJNVASSA-N 2 0 321.553 3.493 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001258902517 1107050817 /nfs/dbraw/zinc/05/08/17/1107050817.db2.gz FEQUCWIAOFWDCY-QGZVFWFLSA-N 2 0 317.477 3.427 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001318946479 1108249865 /nfs/dbraw/zinc/24/98/65/1108249865.db2.gz CDIPMLDCFZZEKH-KZNAEPCWSA-N 2 0 323.525 3.068 20 30 DGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319762885 1108627813 /nfs/dbraw/zinc/62/78/13/1108627813.db2.gz JTMYZEJGMBFYAF-IAGOWNOFSA-N 2 0 301.478 3.129 20 30 DGEDRP C=CCCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000488105199 245147700 /nfs/dbraw/zinc/14/77/00/245147700.db2.gz CCIKGQRZDSEUGW-UHFFFAOYSA-N 2 0 307.526 3.223 20 30 DGEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595429901 400146914 /nfs/dbraw/zinc/14/69/14/400146914.db2.gz IGXFZCVGQLAYNS-APWZRJJASA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595894811 400288918 /nfs/dbraw/zinc/28/89/18/400288918.db2.gz XOKAQZQTMCQYJH-NSHDSACASA-N 2 0 311.351 3.136 20 30 DGEDRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000578655434 400330505 /nfs/dbraw/zinc/33/05/05/400330505.db2.gz FRFAMQYTSRZMFS-UHFFFAOYSA-N 2 0 315.461 3.191 20 30 DGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602808197 400582213 /nfs/dbraw/zinc/58/22/13/400582213.db2.gz DHONQSHGXQCQST-DZFIZOCASA-N 2 0 311.473 3.426 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174277236 228288856 /nfs/dbraw/zinc/28/88/56/228288856.db2.gz RVGPRHGFUHKKJX-UHFFFAOYSA-N 2 0 303.450 3.047 20 30 DGEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])N(C)C2CC2)CCCC1)c1ccccc1 ZINC000273359037 278333001 /nfs/dbraw/zinc/33/30/01/278333001.db2.gz SLRKXQLJVZTTAB-OAHLLOKOSA-N 2 0 314.477 3.059 20 30 DGEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000113318024 431340930 /nfs/dbraw/zinc/34/09/30/431340930.db2.gz DRYPGGDBNRDVIV-UHFFFAOYSA-N 2 0 308.425 3.050 20 30 DGEDRP N#CC1CC[NH+](Cc2ccc(C[NH+]3CCC(C#N)CC3)cc2)CC1 ZINC000057906243 431994586 /nfs/dbraw/zinc/99/45/86/431994586.db2.gz XRTUYLHERLXAFH-UHFFFAOYSA-N 2 0 322.456 3.158 20 30 DGEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC000191470869 432266999 /nfs/dbraw/zinc/26/69/99/432266999.db2.gz QSRIUUZTQSKYJV-UHFFFAOYSA-N 2 0 314.477 3.029 20 30 DGEDRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(OCC#N)cc1 ZINC000271919922 432427708 /nfs/dbraw/zinc/42/77/08/432427708.db2.gz ZWAYQOIWKLJKPA-OAHLLOKOSA-N 2 0 313.445 3.256 20 30 DGEDRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C[NH+]1CCCCC1 ZINC000194190997 432531691 /nfs/dbraw/zinc/53/16/91/432531691.db2.gz KOCPVPYKTXWZAI-IAGOWNOFSA-N 2 0 315.461 3.362 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)c1 ZINC000264136018 432618529 /nfs/dbraw/zinc/61/85/29/432618529.db2.gz ZQDFVEIRJOOPML-UHFFFAOYSA-N 2 0 310.445 3.292 20 30 DGEDRP C=CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000276140126 432775918 /nfs/dbraw/zinc/77/59/18/432775918.db2.gz NGYVRYNQNGJPPB-UHFFFAOYSA-N 2 0 301.478 3.225 20 30 DGEDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278535414 432896994 /nfs/dbraw/zinc/89/69/94/432896994.db2.gz FOBABAQWKFEWED-QZTJIDSGSA-N 2 0 312.461 3.312 20 30 DGEDRP C=CC[N@H+](Cc1cccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420322907 433166898 /nfs/dbraw/zinc/16/68/98/433166898.db2.gz SSDIQFJVRCVMRH-MRXNPFEDSA-N 2 0 316.470 3.487 20 30 DGEDRP COc1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1C#N ZINC000281691440 433349070 /nfs/dbraw/zinc/34/90/70/433349070.db2.gz NCUUKOWFURQJNZ-KRWDZBQOSA-N 2 0 303.450 3.023 20 30 DGEDRP CC(C)(C#N)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028024 434106364 /nfs/dbraw/zinc/10/63/64/434106364.db2.gz WIDCBUKULXYQSG-RTBURBONSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccco1 ZINC000286119540 434171140 /nfs/dbraw/zinc/17/11/40/434171140.db2.gz NONMDYYDOUBSBE-BZSNNMDCSA-N 2 0 318.461 3.254 20 30 DGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130975 434238326 /nfs/dbraw/zinc/23/83/26/434238326.db2.gz HIAQHRGMZFLMRV-QFBILLFUSA-N 2 0 300.446 3.434 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423262137 434324599 /nfs/dbraw/zinc/32/45/99/434324599.db2.gz UNHAVPHSVJQBKR-QHGAOEGBSA-N 2 0 311.473 3.370 20 30 DGEDRP CCCCCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370689893 434617947 /nfs/dbraw/zinc/61/79/47/434617947.db2.gz MXYWMQYANWGQEN-UHFFFAOYSA-N 2 0 309.542 3.447 20 30 DGEDRP CC(CC[NH+](C)CC(C)(C)C#N)CC[N@H+](C)CC(C)(C)C#N ZINC000411779659 434827910 /nfs/dbraw/zinc/82/79/10/434827910.db2.gz HOCLSGRPWCMONX-UHFFFAOYSA-N 2 0 306.498 3.366 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411792853 434831261 /nfs/dbraw/zinc/83/12/61/434831261.db2.gz RIDNSPNBCIIBAP-MOPGFXCFSA-N 2 0 300.446 3.106 20 30 DGEDRP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCc2ccccc2C1 ZINC000463287917 434952222 /nfs/dbraw/zinc/95/22/22/434952222.db2.gz NWEKUOARFUZWRH-PWIZWCRZSA-N 2 0 311.473 3.495 20 30 DGEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](C#N)CCC#N)cc2)C1 ZINC000558751020 435109689 /nfs/dbraw/zinc/10/96/89/435109689.db2.gz YBPREWXZIYIVFD-YLJYHZDGSA-N 2 0 324.472 3.452 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658135512 436385120 /nfs/dbraw/zinc/38/51/20/436385120.db2.gz FDBUESLDMNQUDS-WOJBJXKFSA-N 2 0 314.473 3.088 20 30 DGEDRP N#Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)c1 ZINC000580569322 324014445 /nfs/dbraw/zinc/01/44/45/324014445.db2.gz JPHOJBKFDNXUIG-QUCCMNQESA-N 2 0 323.415 3.180 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414789755 334097524 /nfs/dbraw/zinc/09/75/24/334097524.db2.gz YVQNMBCVSXNRDV-MSOLQXFVSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449104770 534696668 /nfs/dbraw/zinc/69/66/68/534696668.db2.gz BFOUZLPNZPVFFA-QGZVFWFLSA-N 2 0 307.526 3.270 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000442798337 534755546 /nfs/dbraw/zinc/75/55/46/534755546.db2.gz WKIIKSBVLYINEG-JKSUJKDBSA-N 2 0 303.475 3.242 20 30 DGEDRP C=CCOCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000348054982 526745343 /nfs/dbraw/zinc/74/53/43/526745343.db2.gz ZWOHBXVPRYMJDE-UHFFFAOYSA-N 2 0 317.477 3.213 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350225281 526865718 /nfs/dbraw/zinc/86/57/18/526865718.db2.gz WVJSVUBAUUZQOC-UHFFFAOYSA-N 2 0 318.461 3.034 20 30 DGEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442708941 528152399 /nfs/dbraw/zinc/15/23/99/528152399.db2.gz MKWWQYMMTCKAFG-ZWKOTPCHSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679724358 548945014 /nfs/dbraw/zinc/94/50/14/548945014.db2.gz VENFBINQSKUODZ-VAMGGRTRSA-N 2 0 314.473 3.079 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724356 548945078 /nfs/dbraw/zinc/94/50/78/548945078.db2.gz VENFBINQSKUODZ-HSALFYBXSA-N 2 0 314.473 3.079 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926345139 617957818 /nfs/dbraw/zinc/95/78/18/617957818.db2.gz ZQZHPZLLDAYJCT-LZQZEXGQSA-N 2 0 302.462 3.380 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902504563 619644192 /nfs/dbraw/zinc/64/41/92/619644192.db2.gz OKELYDIVMCMTFU-RIVXBTQJSA-N 2 0 300.446 3.433 20 30 DGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(C)CCCCO1 ZINC000902754247 619670777 /nfs/dbraw/zinc/67/07/77/619670777.db2.gz YVHDJGKQAWSCRE-AKHDSKFASA-N 2 0 306.494 3.497 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453957 619779423 /nfs/dbraw/zinc/77/94/23/619779423.db2.gz QDRCUBFDGPJRHP-DOTOQJQBSA-N 2 0 303.837 3.176 20 30 DGEDRP N#CCc1cccc2c1CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923408167 621182316 /nfs/dbraw/zinc/18/23/16/621182316.db2.gz AKPNZYGLPKYQIV-QNBRMCRTSA-N 2 0 309.457 3.031 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000865717271 621982722 /nfs/dbraw/zinc/98/27/22/621982722.db2.gz VLCYSMICMGHFHS-UHFFFAOYSA-N 2 0 303.425 3.297 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000766193935 622311687 /nfs/dbraw/zinc/31/16/87/622311687.db2.gz VXUGVCKQACRMPM-QGZVFWFLSA-N 2 0 314.473 3.471 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000769327287 622518223 /nfs/dbraw/zinc/51/82/23/622518223.db2.gz VWJZEIDJDQXIMF-UHFFFAOYSA-N 2 0 323.440 3.131 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155985 622837078 /nfs/dbraw/zinc/83/70/78/622837078.db2.gz BXDBSGAMXKHWMM-KSSFIOAISA-N 2 0 301.434 3.271 20 30 DGEDRP N#Cc1cnccc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156148 622837652 /nfs/dbraw/zinc/83/76/52/622837652.db2.gz FLSXAORLVLIXLN-DNVCBOLYSA-N 2 0 312.461 3.073 20 30 DGEDRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000774494912 623151969 /nfs/dbraw/zinc/15/19/69/623151969.db2.gz GXZOJSUETBFJTB-HNNXBMFYSA-N 2 0 313.445 3.114 20 30 DGEDRP C#CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000784587224 624552716 /nfs/dbraw/zinc/55/27/16/624552716.db2.gz CXFNSBBHRXMBMK-HXUWFJFHSA-N 2 0 316.408 3.430 20 30 DGEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259038 624874607 /nfs/dbraw/zinc/87/46/07/624874607.db2.gz GZXGHMINXSIMSR-HZPDHXFCSA-N 2 0 306.413 3.225 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(OCC#N)cc1 ZINC000880516926 624971282 /nfs/dbraw/zinc/97/12/82/624971282.db2.gz DXXYUTKLNRFEGJ-UHFFFAOYSA-N 2 0 315.461 3.287 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000791010635 625737522 /nfs/dbraw/zinc/73/75/22/625737522.db2.gz GTHMAEOOVCXBAT-INIZCTEOSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000883186434 625959879 /nfs/dbraw/zinc/95/98/79/625959879.db2.gz RSYOMFNJGPCCFY-AZUAARDMSA-N 2 0 315.505 3.310 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000883194685 625965223 /nfs/dbraw/zinc/96/52/23/625965223.db2.gz ALZFMZMZWOTJTC-RBUKOAKNSA-N 2 0 306.494 3.497 20 30 DGEDRP C#CCSCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000796817364 626086068 /nfs/dbraw/zinc/08/60/68/626086068.db2.gz MYWSVOSQKRQDMO-UHFFFAOYSA-N 2 0 316.514 3.386 20 30 DGEDRP C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000809715783 626940410 /nfs/dbraw/zinc/94/04/10/626940410.db2.gz GKMSTFHVRDUTCY-UHFFFAOYSA-N 2 0 322.452 3.262 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000104156655 627411380 /nfs/dbraw/zinc/41/13/80/627411380.db2.gz OFHSXJVFBDCODT-MRXNPFEDSA-N 2 0 302.466 3.295 20 30 DGEDRP N#CCOc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925619992 627764354 /nfs/dbraw/zinc/76/43/54/627764354.db2.gz CKGCROWSGCIUNW-LJQANCHMSA-N 2 0 309.413 3.159 20 30 DGEDRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000925887321 627812379 /nfs/dbraw/zinc/81/23/79/627812379.db2.gz ZEERUIPLJPNSFA-DJKXOVBDSA-N 2 0 323.415 3.407 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817949625 627971951 /nfs/dbraw/zinc/97/19/51/627971951.db2.gz SNDLKOMYJJRSGN-MRXNPFEDSA-N 2 0 308.425 3.051 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810235 628299193 /nfs/dbraw/zinc/29/91/93/628299193.db2.gz RYOKBFIORWJYNC-QGZVFWFLSA-N 2 0 315.505 3.439 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000844923318 630986181 /nfs/dbraw/zinc/98/61/81/630986181.db2.gz HTMWEFCAXDGBRN-CQSZACIVSA-N 2 0 312.388 3.147 20 30 DGEDRP CCC[N@H+](C)[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000849053023 631819598 /nfs/dbraw/zinc/81/95/98/631819598.db2.gz ZRPLSOBZDSDFCZ-MRXNPFEDSA-N 2 0 324.900 3.202 20 30 DGEDRP C[NH+](C)[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849068961 631825672 /nfs/dbraw/zinc/82/56/72/631825672.db2.gz DANVATPTEWOPSS-GOSISDBHSA-N 2 0 314.477 3.281 20 30 DGEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000850361960 632125908 /nfs/dbraw/zinc/12/59/08/632125908.db2.gz GPOZYXNYBZGTTO-UHFFFAOYSA-N 2 0 319.452 3.065 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1C[C@H](C)C[C@H](C)C1 ZINC000262528719 655861219 /nfs/dbraw/zinc/86/12/19/655861219.db2.gz HKZMSMQUUDJXBF-KSZLIROESA-N 2 0 322.541 3.050 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805326 656137732 /nfs/dbraw/zinc/13/77/32/656137732.db2.gz FNSLLYQCAAPMSK-UHFFFAOYSA-N 2 0 320.440 3.282 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)cc1 ZINC000303779661 657562749 /nfs/dbraw/zinc/56/27/49/657562749.db2.gz KTSXJBZKCRGOKK-UHFFFAOYSA-N 2 0 302.466 3.242 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303790595 657563491 /nfs/dbraw/zinc/56/34/91/657563491.db2.gz WNPPTELKVHCRDG-MRXNPFEDSA-N 2 0 316.493 3.265 20 30 DGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cccc(OC)c1)CC(C)C ZINC000303786059 657563842 /nfs/dbraw/zinc/56/38/42/657563842.db2.gz RBAXVBWJYKWPBQ-INIZCTEOSA-N 2 0 320.481 3.178 20 30 DGEDRP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000303789959 657564046 /nfs/dbraw/zinc/56/40/46/657564046.db2.gz VYXDBJAUIDRXNF-HNNXBMFYSA-N 2 0 320.506 3.002 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)cc1C ZINC000303791598 657565177 /nfs/dbraw/zinc/56/51/77/657565177.db2.gz XTOHNTXIBHUVKQ-UHFFFAOYSA-N 2 0 302.466 3.295 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000303882708 657571397 /nfs/dbraw/zinc/57/13/97/657571397.db2.gz IIISFKROFIPHLR-CVEARBPZSA-N 2 0 302.466 3.293 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303893115 657573664 /nfs/dbraw/zinc/57/36/64/657573664.db2.gz RRCQVQSDONYWLQ-HNNXBMFYSA-N 2 0 302.466 3.096 20 30 DGEDRP Cc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCC2)cc1 ZINC000303904715 657577513 /nfs/dbraw/zinc/57/75/13/657577513.db2.gz YZLUGDMNISSGEU-SFHVURJKSA-N 2 0 316.493 3.082 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000303908861 657578131 /nfs/dbraw/zinc/57/81/31/657578131.db2.gz XVUJUQYTNBXTOH-CJNGLKHVSA-N 2 0 302.466 3.150 20 30 DGEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304739031 657646158 /nfs/dbraw/zinc/64/61/58/657646158.db2.gz AYXYNTOOHRJBDI-QGZVFWFLSA-N 2 0 302.466 3.411 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304758693 657649087 /nfs/dbraw/zinc/64/90/87/657649087.db2.gz QITHHUJBTRZKQQ-INIZCTEOSA-N 2 0 314.477 3.130 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000165291114 658974235 /nfs/dbraw/zinc/97/42/35/658974235.db2.gz NDVSWZNQUQFZMF-DLBZAZTESA-N 2 0 300.446 3.081 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000930059967 659901815 /nfs/dbraw/zinc/90/18/15/659901815.db2.gz HNJROFSJWRLTGJ-SQNIBIBYSA-N 2 0 319.493 3.034 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237546028 659928192 /nfs/dbraw/zinc/92/81/92/659928192.db2.gz GMHQWTHFURFSOK-GOSISDBHSA-N 2 0 314.473 3.300 20 30 DGEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000931683509 661497540 /nfs/dbraw/zinc/49/75/40/661497540.db2.gz KLJZIYRUIHDITI-QGZVFWFLSA-N 2 0 312.461 3.456 20 30 DGEDRP CCCCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157701692 661868594 /nfs/dbraw/zinc/86/85/94/661868594.db2.gz LKWTTYSJBCUSOM-KDURUIRLSA-N 2 0 309.542 3.447 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC001580040235 1192004886 /nfs/dbraw/zinc/00/48/86/1192004886.db2.gz HYMAWNGYNTVDTC-CXUOOODFSA-N 2 0 309.457 3.250 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC001580066222 1192005890 /nfs/dbraw/zinc/00/58/90/1192005890.db2.gz GPRZLWHLMPQCDD-MRXNPFEDSA-N 2 0 315.436 3.299 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001580065193 1192005919 /nfs/dbraw/zinc/00/59/19/1192005919.db2.gz AXNLYUKLCQGTEQ-AZUAARDMSA-N 2 0 323.415 3.180 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001333158935 1178566155 /nfs/dbraw/zinc/56/61/55/1178566155.db2.gz XTWKKONTAMXOAS-QGZVFWFLSA-N 2 0 322.456 3.363 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001560704207 1189364064 /nfs/dbraw/zinc/36/40/64/1189364064.db2.gz AEZSDHJSZTTWRD-UXHICEINSA-N 2 0 316.489 3.478 20 30 DGEDRP C=C(C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001560939908 1189408721 /nfs/dbraw/zinc/40/87/21/1189408721.db2.gz VUKNHFCVPPWGCL-UHFFFAOYSA-N 2 0 312.360 3.078 20 30 DGEDRP C#C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001574504436 1191444970 /nfs/dbraw/zinc/44/49/70/1191444970.db2.gz JAYQRMVMIFMCEY-WWGRRREGSA-N 2 0 321.262 3.101 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001574907496 1191458285 /nfs/dbraw/zinc/45/82/85/1191458285.db2.gz OAKKOCAJAQITMC-GOSISDBHSA-N 2 0 315.505 3.316 20 30 DGEDRP C#CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC001657031092 1196094674 /nfs/dbraw/zinc/09/46/74/1196094674.db2.gz HGRXJKNFYGLOIO-UHFFFAOYSA-N 2 0 314.473 3.443 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666901999 1197297307 /nfs/dbraw/zinc/29/73/07/1197297307.db2.gz AEKDTNZRCOOPDY-SJORKVTESA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000104173338 1199516297 /nfs/dbraw/zinc/51/62/97/1199516297.db2.gz UMYWHQAWXYXWOT-MRXNPFEDSA-N 2 0 322.456 3.168 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303889415 1199601649 /nfs/dbraw/zinc/60/16/49/1199601649.db2.gz LVWIDIIEJNQSIE-CALCHBBNSA-N 2 0 316.493 3.480 20 30 DGEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304681377 1199669522 /nfs/dbraw/zinc/66/95/22/1199669522.db2.gz OWBUBMYDGXVMFZ-OAHLLOKOSA-N 2 0 314.477 3.024 20 30 DGEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001692132150 1200941417 /nfs/dbraw/zinc/94/14/17/1200941417.db2.gz QTKLBYPVZRPMBQ-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707242310 1202577997 /nfs/dbraw/zinc/57/79/97/1202577997.db2.gz VHQHAMSIYPMNFS-ROUUACIJSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001734012396 1205288411 /nfs/dbraw/zinc/28/84/11/1205288411.db2.gz XTANIZKUEKSKAA-DAWZGUTISA-N 2 0 323.525 3.042 20 30 DGEDRP C[NH+]1CCC2(C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC001170396330 1082360516 /nfs/dbraw/zinc/36/05/16/1082360516.db2.gz YIFRZNSZAVHKEA-UHFFFAOYSA-N 2 0 323.484 3.418 20 30 DGEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270069 1082863782 /nfs/dbraw/zinc/86/37/82/1082863782.db2.gz QDLNLRCBVNGNCA-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410937 1082905749 /nfs/dbraw/zinc/90/57/49/1082905749.db2.gz PYWHOXNKPFLFEW-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410939 1082906032 /nfs/dbraw/zinc/90/60/32/1082906032.db2.gz PYWHOXNKPFLFEW-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161258264 1084618330 /nfs/dbraw/zinc/61/83/30/1084618330.db2.gz IXDUIDDMNRHEAQ-KRWDZBQOSA-N 2 0 323.525 3.077 20 30 DGEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001168295019 1087284519 /nfs/dbraw/zinc/28/45/19/1087284519.db2.gz PASBJBMEWHEIFF-UHFFFAOYSA-N 2 0 313.367 3.284 20 30 DGEDRP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1CC#N ZINC001158263535 1087746473 /nfs/dbraw/zinc/74/64/73/1087746473.db2.gz FAXSSWJMLZOBDL-QAPCUYQASA-N 2 0 300.450 3.412 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152246349 1087927861 /nfs/dbraw/zinc/92/78/61/1087927861.db2.gz YCKMOEWACMTZKM-UHFFFAOYSA-N 2 0 319.493 3.038 20 30 DGEDRP N#Cc1cc(Nc2ccc(C3([NH3+])CCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159729561 1088464659 /nfs/dbraw/zinc/46/46/59/1088464659.db2.gz GJGCGYOYMSPSBP-UHFFFAOYSA-N 2 0 318.424 3.327 20 30 DGEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464672 1088615956 /nfs/dbraw/zinc/61/59/56/1088615956.db2.gz QZHFMDVALCNYQB-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612421 1089186385 /nfs/dbraw/zinc/18/63/85/1089186385.db2.gz UNZPWONEYVUUFN-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619912 1089188823 /nfs/dbraw/zinc/18/88/23/1089188823.db2.gz BUCIWNXSAXXPOF-QZTJIDSGSA-N 2 0 323.525 3.042 20 30 DGEDRP CC(C)[Si](C#C[NH2+][C@@H](C)CN1CC[NH2+]CC1)(C(C)C)C(C)C ZINC001162093189 1089553711 /nfs/dbraw/zinc/55/37/11/1089553711.db2.gz RTMAGGBCIHDVLI-SFHVURJKSA-N 2 0 323.601 3.049 20 30 DGEDRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3ccccc3C#N)c2)CC1 ZINC001156791282 1089695663 /nfs/dbraw/zinc/69/56/63/1089695663.db2.gz PMUPYBRCRXEDBY-UHFFFAOYSA-N 2 0 322.412 3.038 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961030 1089762227 /nfs/dbraw/zinc/76/22/27/1089762227.db2.gz CNJFDOYLMDPJBS-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735197 1091025140 /nfs/dbraw/zinc/02/51/40/1091025140.db2.gz NVYVJFGWTDGBGR-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001169155213 1092568670 /nfs/dbraw/zinc/56/86/70/1092568670.db2.gz ZSNLWKROLCPHIN-WKCHPHFGSA-N 2 0 308.469 3.375 20 30 DGEDRP C=CCCCCC[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001209427089 1092771703 /nfs/dbraw/zinc/77/17/03/1092771703.db2.gz FSXGQDUVXMQDIS-UHFFFAOYSA-N 2 0 319.497 3.070 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+]2CCCC2)cc1 ZINC000303790366 1093849001 /nfs/dbraw/zinc/84/90/01/1093849001.db2.gz WCVDOECSXYYMCN-KRWDZBQOSA-N 2 0 302.466 3.232 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081048 1094392464 /nfs/dbraw/zinc/39/24/64/1094392464.db2.gz GFWAKBVPDDNJJL-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081375 1094392768 /nfs/dbraw/zinc/39/27/68/1094392768.db2.gz LHAMGVRHNYVEPU-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135705731 1094647246 /nfs/dbraw/zinc/64/72/46/1094647246.db2.gz ILQOGOPSABGLOR-DLBZAZTESA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022720 1094929049 /nfs/dbraw/zinc/92/90/49/1094929049.db2.gz RAQSUYLPUFYEFY-SFHVURJKSA-N 2 0 317.477 3.193 20 30 DGEDRP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000315580810 1095118514 /nfs/dbraw/zinc/11/85/14/1095118514.db2.gz MYKJLAYLJKABKR-HNNXBMFYSA-N 2 0 301.434 3.114 20 30 DGEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187812 1095212433 /nfs/dbraw/zinc/21/24/33/1095212433.db2.gz GNNNJBKIDYWHOV-BZSNNMDCSA-N 2 0 323.525 3.205 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315946 1095544567 /nfs/dbraw/zinc/54/45/67/1095544567.db2.gz RQVOKEYYKNWBOE-IBGZPJMESA-N 2 0 300.446 3.360 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001171189710 1095674733 /nfs/dbraw/zinc/67/47/33/1095674733.db2.gz JYEFXCGWJHASRE-QGZVFWFLSA-N 2 0 321.468 3.383 20 30 DGEDRP Cc1cnccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231407 1095865149 /nfs/dbraw/zinc/86/51/49/1095865149.db2.gz JDZIJDNYGQSBCI-VQIMIIECSA-N 2 0 321.424 3.346 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001341148420 1096123564 /nfs/dbraw/zinc/12/35/64/1096123564.db2.gz LJSAYOGSQZGKLU-SJORKVTESA-N 2 0 323.525 3.055 20 30 DGEDRP C[N@@H+]1CC[C@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224638019 1096252719 /nfs/dbraw/zinc/25/27/19/1096252719.db2.gz WDHGMPGJJDOOEW-KRWDZBQOSA-N 2 0 314.474 3.444 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)CCOCC(C)C ZINC001172466611 1097163688 /nfs/dbraw/zinc/16/36/88/1097163688.db2.gz HRAVSHALFWODAT-HNNXBMFYSA-N 2 0 305.466 3.105 20 30 DGEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172491671 1097167959 /nfs/dbraw/zinc/16/79/59/1097167959.db2.gz IOPYGQRILYZXIZ-HNNXBMFYSA-N 2 0 303.425 3.244 20 30 DGEDRP [NH3+][C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@H]1F ZINC001206165851 1097187744 /nfs/dbraw/zinc/18/77/44/1097187744.db2.gz PIDVOYYRWMEBEP-RTWAWAEBSA-N 2 0 322.427 3.348 20 30 DGEDRP Cc1ccccc1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000170903780 1097306772 /nfs/dbraw/zinc/30/67/72/1097306772.db2.gz HEPXMHLDNSZPCK-INIZCTEOSA-N 2 0 302.466 3.376 20 30 DGEDRP CC[NH+](CC)C1CCC([NH2+]CCOc2cccc(C#N)c2)CC1 ZINC001173107725 1097331912 /nfs/dbraw/zinc/33/19/12/1097331912.db2.gz KDIVRYNXUIVZED-UHFFFAOYSA-N 2 0 315.461 3.180 20 30 DGEDRP C=CCOC1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001173311943 1097408651 /nfs/dbraw/zinc/40/86/51/1097408651.db2.gz RQKTYIKVSCOZKU-UHFFFAOYSA-N 2 0 302.462 3.352 20 30 DGEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173328578 1097419098 /nfs/dbraw/zinc/41/90/98/1097419098.db2.gz FWOOMHDESNDVQF-UHFFFAOYSA-N 2 0 315.461 3.189 20 30 DGEDRP C=CCOC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001173316850 1097427562 /nfs/dbraw/zinc/42/75/62/1097427562.db2.gz NTBZJKMMQWFIMX-UHFFFAOYSA-N 2 0 315.461 3.154 20 30 DGEDRP COC1CC[NH+](C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173597641 1097467867 /nfs/dbraw/zinc/46/78/67/1097467867.db2.gz AOQZRHJXCBRDIY-UHFFFAOYSA-N 2 0 319.493 3.034 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)CC2)C1 ZINC001277454608 1097483709 /nfs/dbraw/zinc/48/37/09/1097483709.db2.gz WSMGPTJDTFSDHR-UHFFFAOYSA-N 2 0 322.456 3.347 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174651412 1097804480 /nfs/dbraw/zinc/80/44/80/1097804480.db2.gz XKCMCVIFIDHLMQ-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629085 1098395037 /nfs/dbraw/zinc/39/50/37/1098395037.db2.gz RPYHKGPRSYULSB-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760460 1098435065 /nfs/dbraw/zinc/43/50/65/1098435065.db2.gz XKYPQFVWKSANLM-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C(#Cc1ccccc1C[NH+]1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001235088170 1098790912 /nfs/dbraw/zinc/79/09/12/1098790912.db2.gz CMEZXGFYJUCNPA-UHFFFAOYSA-N 2 0 316.448 3.272 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235132623 1098827840 /nfs/dbraw/zinc/82/78/40/1098827840.db2.gz JJNXANKWZQOJNX-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C=CCOc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001235134763 1098830551 /nfs/dbraw/zinc/83/05/51/1098830551.db2.gz DCXPJOQBUDYHDH-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354867 1098974794 /nfs/dbraw/zinc/97/47/94/1098974794.db2.gz KKEKIXQQGYXEPO-FGZHOGPDSA-N 2 0 316.448 3.247 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235424834 1099016681 /nfs/dbraw/zinc/01/66/81/1099016681.db2.gz KJTMDMLHWIGPCY-UXHICEINSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427795 1099023676 /nfs/dbraw/zinc/02/36/76/1099023676.db2.gz NNMQZUXYCWBJCW-HUUCEWRRSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc2c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c[nH]c21 ZINC001235702877 1099136554 /nfs/dbraw/zinc/13/65/54/1099136554.db2.gz VQZCCTIKHKPLTE-UHFFFAOYSA-N 2 0 322.456 3.251 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179745830 1099198046 /nfs/dbraw/zinc/19/80/46/1099198046.db2.gz IQWLUMIFRMLGMF-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001236067672 1099365319 /nfs/dbraw/zinc/36/53/19/1099365319.db2.gz SLINKLLAWRMDDO-NRFANRHFSA-N 2 0 304.437 3.128 20 30 DGEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236077807 1099375725 /nfs/dbraw/zinc/37/57/25/1099375725.db2.gz CYEFREAXRRPAQP-SGQUHAKNSA-N 2 0 307.526 3.258 20 30 DGEDRP N#Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(F)c1 ZINC001236532000 1099668155 /nfs/dbraw/zinc/66/81/55/1099668155.db2.gz UFMYZIWERBXBBO-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]12 ZINC001236832927 1099817265 /nfs/dbraw/zinc/81/72/65/1099817265.db2.gz XNMDTDANLDVLNN-PWIZWCRZSA-N 2 0 322.477 3.317 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)ccc1F ZINC001236948614 1099886660 /nfs/dbraw/zinc/88/66/60/1099886660.db2.gz REEUZPXZAIQPJU-UHFFFAOYSA-N 2 0 315.436 3.299 20 30 DGEDRP Cc1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cnc1C#N ZINC001242358298 1102075504 /nfs/dbraw/zinc/07/55/04/1102075504.db2.gz ILMGLTCTIGNKHF-UHFFFAOYSA-N 2 0 320.440 3.099 20 30 DGEDRP C[C@@H]1CC(=O)C=C(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001242745628 1102323601 /nfs/dbraw/zinc/32/36/01/1102323601.db2.gz VCYMRDHDGKJKKG-HNNXBMFYSA-N 2 0 312.457 3.240 20 30 DGEDRP Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccc1C#N ZINC001242769094 1102331765 /nfs/dbraw/zinc/33/17/65/1102331765.db2.gz FZYNLAOAAJJRIW-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201762397 1102721864 /nfs/dbraw/zinc/72/18/64/1102721864.db2.gz JCKKLJVEIBYXFS-UHFFFAOYSA-N 2 0 318.509 3.307 20 30 DGEDRP N#CCOc1ccccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001243589335 1102831339 /nfs/dbraw/zinc/83/13/39/1102831339.db2.gz ZHMXNELGZUBCBH-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP Cc1ccc(C#N)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001245605280 1104147369 /nfs/dbraw/zinc/14/73/69/1104147369.db2.gz KYWNMCNRTMJOKL-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246026343 1104353969 /nfs/dbraw/zinc/35/39/69/1104353969.db2.gz MPTIZPAZRFNBLV-RBUKOAKNSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246021821 1104354401 /nfs/dbraw/zinc/35/44/01/1104354401.db2.gz HHCRWOUVSMQTHD-RTBURBONSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001246024907 1104355335 /nfs/dbraw/zinc/35/53/35/1104355335.db2.gz QSLOBNGEHRPCML-SFHVURJKSA-N 2 0 308.510 3.340 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246026345 1104355380 /nfs/dbraw/zinc/35/53/80/1104355380.db2.gz MPTIZPAZRFNBLV-RTBURBONSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001246024901 1104355695 /nfs/dbraw/zinc/35/56/95/1104355695.db2.gz QSLOBNGEHRPCML-GOSISDBHSA-N 2 0 308.510 3.340 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC001246079699 1104373423 /nfs/dbraw/zinc/37/34/23/1104373423.db2.gz FAYFHRFSJBUPHY-UHFFFAOYSA-N 2 0 315.436 3.391 20 30 DGEDRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001246094916 1104381709 /nfs/dbraw/zinc/38/17/09/1104381709.db2.gz AQTROHOMSOJGOL-BEEJXANESA-N 2 0 311.473 3.226 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@@]3(C(F)(F)F)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246116099 1104393986 /nfs/dbraw/zinc/39/39/86/1104393986.db2.gz UVRWIJUAQYJZBS-IZGVIRRGSA-N 2 0 302.384 3.253 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)CO3)C[C@H](C1)C2 ZINC001246178738 1104424732 /nfs/dbraw/zinc/42/47/32/1104424732.db2.gz OTJXHVUJIZDOOG-ZZJWQFMZSA-N 2 0 318.505 3.260 20 30 DGEDRP CCCC[C@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327921 1104492798 /nfs/dbraw/zinc/49/27/98/1104492798.db2.gz KFZFXVSOVILAPJ-ROUUACIJSA-N 2 0 315.461 3.228 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246396451 1104526202 /nfs/dbraw/zinc/52/62/02/1104526202.db2.gz YSXVNYYRHXBJQR-MRXNPFEDSA-N 2 0 302.462 3.261 20 30 DGEDRP C=CCCCC[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274974341 1104563691 /nfs/dbraw/zinc/56/36/91/1104563691.db2.gz INESNYDXYPRRCW-IBGZPJMESA-N 2 0 316.493 3.027 20 30 DGEDRP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(C[NH3+])CC2)CC1 ZINC001246554323 1104592976 /nfs/dbraw/zinc/59/29/76/1104592976.db2.gz ZOWAHMYNADQNDP-UHFFFAOYSA-N 2 0 315.436 3.200 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)cc1 ZINC001246660229 1104653412 /nfs/dbraw/zinc/65/34/12/1104653412.db2.gz CSOCUHKDJLSAFM-CQJJOKNBSA-N 2 0 309.457 3.398 20 30 DGEDRP C[NH2+]C1CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001246806293 1104683924 /nfs/dbraw/zinc/68/39/24/1104683924.db2.gz AQXDJMFGIIXIRC-UHFFFAOYSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246805901 1104684384 /nfs/dbraw/zinc/68/43/84/1104684384.db2.gz KXMBAKMEZCYVBS-CWPLJXCYSA-N 2 0 311.473 3.342 20 30 DGEDRP CC[C@H]1C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811813 1104687362 /nfs/dbraw/zinc/68/73/62/1104687362.db2.gz RIKCVQZKSQEJGV-VQTJNVASSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCCC[C@@H](CCC)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246894474 1104725495 /nfs/dbraw/zinc/72/54/95/1104725495.db2.gz BNKAQCCYZWUWMA-GOSISDBHSA-N 2 0 309.542 3.495 20 30 DGEDRP C(#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC001246919382 1104737394 /nfs/dbraw/zinc/73/73/94/1104737394.db2.gz ATXSKSXWPKFTFI-AERCQKQUSA-N 2 0 308.469 3.423 20 30 DGEDRP CCCCCCC[C@H](C)[N@@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247011596 1104776422 /nfs/dbraw/zinc/77/64/22/1104776422.db2.gz YLPBYUIOAOZQTL-DLBZAZTESA-N 2 0 324.509 3.210 20 30 DGEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c[nH]c4cc(C#N)ccc34)(C1)CCC2 ZINC001275786742 1104907248 /nfs/dbraw/zinc/90/72/48/1104907248.db2.gz ZURQTJXTNBNNPD-RBUKOAKNSA-N 2 0 308.429 3.194 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001253242456 1105908293 /nfs/dbraw/zinc/90/82/93/1105908293.db2.gz LCOLTLMILPRPCT-FHWLQOOXSA-N 2 0 308.510 3.148 20 30 DGEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254652913 1106123443 /nfs/dbraw/zinc/12/34/43/1106123443.db2.gz IFPYMSLKELWMCU-BTHPGYMESA-N 2 0 311.473 3.426 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001254665768 1106127655 /nfs/dbraw/zinc/12/76/55/1106127655.db2.gz PXBHWJOQKSOTOF-AEFFLSMTSA-N 2 0 313.445 3.260 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673742 1106130856 /nfs/dbraw/zinc/13/08/56/1106130856.db2.gz OFHICNDNPFVDSC-WCIQWLHISA-N 2 0 309.457 3.133 20 30 DGEDRP CC(C)(S)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129448 1106186183 /nfs/dbraw/zinc/18/61/83/1106186183.db2.gz YIVKZHMFHLGFJF-BJWYYQGGSA-N 2 0 304.503 3.480 20 30 DGEDRP N#CC12CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)(CC1)CC2 ZINC001256850813 1106497316 /nfs/dbraw/zinc/49/73/16/1106497316.db2.gz MIBBHQRKLKSGTK-UHFFFAOYSA-N 2 0 310.445 3.257 20 30 DGEDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257023207 1106525669 /nfs/dbraw/zinc/52/56/69/1106525669.db2.gz WYAHMARUDCBRMM-JWEZTNTCSA-N 2 0 323.484 3.468 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001258720052 1106928987 /nfs/dbraw/zinc/92/89/87/1106928987.db2.gz QIERICZIRMLBIT-GOSISDBHSA-N 2 0 315.505 3.268 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001258903164 1107049909 /nfs/dbraw/zinc/04/99/09/1107049909.db2.gz LUFGPIMCEKUPOO-INIZCTEOSA-N 2 0 303.450 3.037 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318946477 1108248941 /nfs/dbraw/zinc/24/89/41/1108248941.db2.gz CDIPMLDCFZZEKH-BZSNNMDCSA-N 2 0 323.525 3.068 20 30 DGEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001264122502 1108384908 /nfs/dbraw/zinc/38/49/08/1108384908.db2.gz OCHKYBUSZWVKCC-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319762889 1108627848 /nfs/dbraw/zinc/62/78/48/1108627848.db2.gz JTMYZEJGMBFYAF-SJORKVTESA-N 2 0 301.478 3.129 20 30 DGEDRP C[N@H+](CCC(C)(C)C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346988038 529873514 /nfs/dbraw/zinc/87/35/14/529873514.db2.gz GEPIOOMSOILOLH-UHFFFAOYSA-N 2 0 300.450 3.170 20 30 DGEDRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000281575732 216395486 /nfs/dbraw/zinc/39/54/86/216395486.db2.gz CVMDUVDAZXPZEI-MRXNPFEDSA-N 2 0 315.461 3.311 20 30 DGEDRP C=CCc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(OC)c1O ZINC000449527809 240265414 /nfs/dbraw/zinc/26/54/14/240265414.db2.gz LCYYXQLAXVDMTO-UHFFFAOYSA-N 2 0 320.477 3.339 20 30 DGEDRP N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246552276 432143670 /nfs/dbraw/zinc/14/36/70/432143670.db2.gz KKVVMJKTTJOJOS-QFBILLFUSA-N 2 0 313.420 3.146 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928878 533443626 /nfs/dbraw/zinc/44/36/26/533443626.db2.gz JJSYOPKKYVXVBY-VQIMIIECSA-N 2 0 311.473 3.495 20 30 DGEDRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595105747 400107448 /nfs/dbraw/zinc/10/74/48/400107448.db2.gz XXBCJWNODAJQBU-AWEZNQCLSA-N 2 0 315.436 3.470 20 30 DGEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595430304 400148623 /nfs/dbraw/zinc/14/86/23/400148623.db2.gz IGXFZCVGQLAYNS-VQIMIIECSA-N 2 0 311.473 3.343 20 30 DGEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000602535124 400490704 /nfs/dbraw/zinc/49/07/04/400490704.db2.gz XVLIMXNIQMCAJJ-HNNXBMFYSA-N 2 0 305.491 3.490 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCC1(C#N)CCOCC1 ZINC000603122218 400644601 /nfs/dbraw/zinc/64/46/01/400644601.db2.gz VDZLINHFLBLAEP-UHFFFAOYSA-N 2 0 321.509 3.285 20 30 DGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000593701977 400896580 /nfs/dbraw/zinc/89/65/80/400896580.db2.gz JHAMEMWGTJDCJI-FXAWDEMLSA-N 2 0 322.456 3.195 20 30 DGEDRP FC1(F)CCC[NH+](CC#CC[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770783 401208651 /nfs/dbraw/zinc/20/86/51/401208651.db2.gz SQGLUNXCVGSOSL-UHFFFAOYSA-N 2 0 320.374 3.232 20 30 DGEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)Nc1cc(F)ccc1F ZINC000288772692 228795198 /nfs/dbraw/zinc/79/51/98/228795198.db2.gz VASAWFSKOGUACE-UHFFFAOYSA-N 2 0 324.419 3.348 20 30 DGEDRP N#Cc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000366975902 268244984 /nfs/dbraw/zinc/24/49/84/268244984.db2.gz XCURZJZSXOFLKS-UHFFFAOYSA-N 2 0 311.473 3.487 20 30 DGEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000271210840 432355323 /nfs/dbraw/zinc/35/53/23/432355323.db2.gz VHRKVDJWUQSPGT-UHFFFAOYSA-N 2 0 323.444 3.139 20 30 DGEDRP C=CCSCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271536645 432417747 /nfs/dbraw/zinc/41/77/47/432417747.db2.gz XSYQHQPXASFTDY-OAHLLOKOSA-N 2 0 308.491 3.197 20 30 DGEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267210340 432823727 /nfs/dbraw/zinc/82/37/27/432823727.db2.gz GINODESQOHKFOM-HNNXBMFYSA-N 2 0 314.477 3.024 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000268092238 432843713 /nfs/dbraw/zinc/84/37/13/432843713.db2.gz UJXMGCMPQWUOHZ-INIZCTEOSA-N 2 0 302.466 3.008 20 30 DGEDRP C=CCN1CCC([NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289196163 432931816 /nfs/dbraw/zinc/93/18/16/432931816.db2.gz JGVDIMSKYDZKQG-INIZCTEOSA-N 2 0 304.409 3.062 20 30 DGEDRP CN(C)C(=[NH+]Cc1ccccc1C[NH+]1CCCCCC1)N(C)C ZINC000262508257 288929871 /nfs/dbraw/zinc/92/98/71/288929871.db2.gz CBOBWCFPMFDXFM-UHFFFAOYSA-N 2 0 316.493 3.042 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000290361265 433038777 /nfs/dbraw/zinc/03/87/77/433038777.db2.gz QTVCAHIPHYJKFT-GOSISDBHSA-N 2 0 317.477 3.247 20 30 DGEDRP CC(C)(C#N)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280443469 433051413 /nfs/dbraw/zinc/05/14/13/433051413.db2.gz NCVBQAKUMCXOTA-KDURUIRLSA-N 2 0 311.473 3.380 20 30 DGEDRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000290486687 433065847 /nfs/dbraw/zinc/06/58/47/433065847.db2.gz OHJPYDZZAWFJME-UHFFFAOYSA-N 2 0 302.447 3.291 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453354221 433115416 /nfs/dbraw/zinc/11/54/16/433115416.db2.gz NDZQTMXUNLZHCO-LZQZEXGQSA-N 2 0 318.461 3.011 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376800246 433820198 /nfs/dbraw/zinc/82/01/98/433820198.db2.gz YCZVAJZGZFATHN-UHFFFAOYSA-N 2 0 306.413 3.054 20 30 DGEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422999711 434159558 /nfs/dbraw/zinc/15/95/58/434159558.db2.gz YHEGWMFBHAYXKP-IRXDYDNUSA-N 2 0 303.475 3.041 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423483806 434446830 /nfs/dbraw/zinc/44/68/30/434446830.db2.gz ZRYGQWDIXAUSRE-YUKKFIBKSA-N 2 0 311.473 3.498 20 30 DGEDRP CN(CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000438166587 434426190 /nfs/dbraw/zinc/42/61/90/434426190.db2.gz MGDYYIDOAPUWAL-SFHVURJKSA-N 2 0 304.865 3.498 20 30 DGEDRP C[N@H+](Cc1cccc(C#N)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367107549 434538136 /nfs/dbraw/zinc/53/81/36/434538136.db2.gz AFWSOBKOBHXQLC-UHFFFAOYSA-N 2 0 306.413 3.054 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000553305249 434885074 /nfs/dbraw/zinc/88/50/74/434885074.db2.gz LCOBBLYBEGURBR-HXUWFJFHSA-N 2 0 309.457 3.400 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530221308 435043943 /nfs/dbraw/zinc/04/39/43/435043943.db2.gz PHPISJKPHVFPEU-XBMUEBEBSA-N 2 0 309.457 3.265 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000531580279 435103050 /nfs/dbraw/zinc/10/30/50/435103050.db2.gz MPYNPJVYSGZDFZ-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000475290465 435186951 /nfs/dbraw/zinc/18/69/51/435186951.db2.gz IQHNYVOUTNCETJ-FQEVSTJZSA-N 2 0 319.452 3.478 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000639758342 435410344 /nfs/dbraw/zinc/41/03/44/435410344.db2.gz RRYUIPZQMJTLEO-UHFFFAOYSA-N 2 0 302.849 3.109 20 30 DGEDRP C=C(C)COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC ZINC000655826041 435825801 /nfs/dbraw/zinc/82/58/01/435825801.db2.gz DRFOIHGAMQTFNK-CALCHBBNSA-N 2 0 318.461 3.080 20 30 DGEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(CN2CCOCC2)c1 ZINC000662088506 436270025 /nfs/dbraw/zinc/27/00/25/436270025.db2.gz HFPKCWALVQMJAK-BGYRXZFFSA-N 2 0 312.457 3.202 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136621 436385313 /nfs/dbraw/zinc/38/53/13/436385313.db2.gz DQADIZOJKUMKDV-MOPGFXCFSA-N 2 0 302.462 3.088 20 30 DGEDRP C=CCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658210737 436401134 /nfs/dbraw/zinc/40/11/34/436401134.db2.gz WFUYGPZYYNREDS-ACDBMABISA-N 2 0 314.473 3.364 20 30 DGEDRP C[C@@H]1C[NH+](CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000092587613 337906728 /nfs/dbraw/zinc/90/67/28/337906728.db2.gz JYXAZAPPCFIEGM-IAGOWNOFSA-N 2 0 321.509 3.138 20 30 DGEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000500130970 340050911 /nfs/dbraw/zinc/05/09/11/340050911.db2.gz VDTHXKZYCLUXDM-UHFFFAOYSA-N 2 0 321.553 3.471 20 30 DGEDRP C=CCOCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824825 526758114 /nfs/dbraw/zinc/75/81/14/526758114.db2.gz NIZRMIAOUOIXMZ-FQEVSTJZSA-N 2 0 314.473 3.177 20 30 DGEDRP C=CCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346687117 526861649 /nfs/dbraw/zinc/86/16/49/526861649.db2.gz VNDBBWBFFQYCRS-INIZCTEOSA-N 2 0 306.450 3.065 20 30 DGEDRP C=CCC1(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCCC1 ZINC000423161066 527063693 /nfs/dbraw/zinc/06/36/93/527063693.db2.gz NENNDCSGTUDCMZ-INIZCTEOSA-N 2 0 322.493 3.034 20 30 DGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680067 528146276 /nfs/dbraw/zinc/14/62/76/528146276.db2.gz NHXNRVMJMIXXJF-VQIMIIECSA-N 2 0 315.461 3.052 20 30 DGEDRP C[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214466 546155115 /nfs/dbraw/zinc/15/51/15/546155115.db2.gz FZRLTANXCOAQLP-XJKSGUPXSA-N 2 0 310.363 3.129 20 30 DGEDRP C=C(CC[NH+](C)C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000901134580 619473890 /nfs/dbraw/zinc/47/38/90/619473890.db2.gz RWODTOOWFQONIK-UHFFFAOYSA-N 2 0 315.461 3.037 20 30 DGEDRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(C#N)c1 ZINC000902787272 619676340 /nfs/dbraw/zinc/67/63/40/619676340.db2.gz YYYHODYCVAWTSD-IBGZPJMESA-N 2 0 315.461 3.100 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000903452825 619779175 /nfs/dbraw/zinc/77/91/75/619779175.db2.gz RXTCQJZCCJHXRR-INIZCTEOSA-N 2 0 303.837 3.033 20 30 DGEDRP C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000862444181 621590858 /nfs/dbraw/zinc/59/08/58/621590858.db2.gz ZDQMYIOWJKELHB-GOSISDBHSA-N 2 0 312.457 3.006 20 30 DGEDRP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000862551399 621600842 /nfs/dbraw/zinc/60/08/42/621600842.db2.gz ULIHBUDSNJODIC-KRWDZBQOSA-N 2 0 308.510 3.294 20 30 DGEDRP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769470257 622530930 /nfs/dbraw/zinc/53/09/30/622530930.db2.gz JTQMGSRAFULLGW-MJGOQNOKSA-N 2 0 314.473 3.393 20 30 DGEDRP CC[C@@H](C#N)Oc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000774245457 623124139 /nfs/dbraw/zinc/12/41/39/623124139.db2.gz UOSAEJQTFUNINE-FBVQUNGASA-N 2 0 313.445 3.082 20 30 DGEDRP CC(C)C[N@@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000877767921 624028749 /nfs/dbraw/zinc/02/87/49/624028749.db2.gz YZPXKZXDIHHCAR-UHFFFAOYSA-N 2 0 305.491 3.420 20 30 DGEDRP C=C(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000883391479 626671230 /nfs/dbraw/zinc/67/12/30/626671230.db2.gz LLPMXWDBKBCHMO-HAGHYFMRSA-N 2 0 314.473 3.099 20 30 DGEDRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000809737742 626944030 /nfs/dbraw/zinc/94/40/30/626944030.db2.gz JKECTQVQCQWIFD-UHFFFAOYSA-N 2 0 323.440 3.260 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000815150716 627637916 /nfs/dbraw/zinc/63/79/16/627637916.db2.gz DTMUUWBYQFLVHI-KRWDZBQOSA-N 2 0 315.461 3.333 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000924704150 627670571 /nfs/dbraw/zinc/67/05/71/627670571.db2.gz KUCWPYFVTROBNY-HNNXBMFYSA-N 2 0 303.450 3.045 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000924861795 627688586 /nfs/dbraw/zinc/68/85/86/627688586.db2.gz LZXHCCLOZCFHHD-HNNXBMFYSA-N 2 0 303.450 3.045 20 30 DGEDRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000925616153 627763769 /nfs/dbraw/zinc/76/37/69/627763769.db2.gz KIZUAKOHVPNBHI-SFHVURJKSA-N 2 0 309.413 3.137 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000817954992 627973644 /nfs/dbraw/zinc/97/36/44/627973644.db2.gz OAGZQIIRVJYLOL-CABCVRRESA-N 2 0 308.853 3.468 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000827566631 628971292 /nfs/dbraw/zinc/97/12/92/628971292.db2.gz XBXCTJSLSCOBIY-DBVUQKKJSA-N 2 0 318.505 3.048 20 30 DGEDRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(OCC#N)cc1 ZINC000834908494 629805750 /nfs/dbraw/zinc/80/57/50/629805750.db2.gz FZNWSZXCJCRNMH-OAHLLOKOSA-N 2 0 301.434 3.114 20 30 DGEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+](C)C ZINC000303780740 657561681 /nfs/dbraw/zinc/56/16/81/657561681.db2.gz LOKVESFFRQIEMJ-QGZVFWFLSA-N 2 0 304.482 3.396 20 30 DGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)CC(C)C ZINC000303783611 657563434 /nfs/dbraw/zinc/56/34/34/657563434.db2.gz OKSMHQFPFKNGFP-INIZCTEOSA-N 2 0 320.481 3.178 20 30 DGEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000303786401 657564176 /nfs/dbraw/zinc/56/41/76/657564176.db2.gz RIXCOTZOUPUBPG-SFHVURJKSA-N 2 0 314.477 3.022 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000303888534 657572632 /nfs/dbraw/zinc/57/26/32/657572632.db2.gz LMUSREKPQNRHKW-CVEARBPZSA-N 2 0 302.466 3.293 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303889564 657572977 /nfs/dbraw/zinc/57/29/77/657572977.db2.gz MBBUGIPGQUKXSS-INIZCTEOSA-N 2 0 316.493 3.123 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000303891272 657573353 /nfs/dbraw/zinc/57/33/53/657573353.db2.gz QNSFBYALFBNNMO-HNNXBMFYSA-N 2 0 302.466 3.098 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304763436 657650364 /nfs/dbraw/zinc/65/03/64/657650364.db2.gz WUKDRIQJKSGQBM-UHFFFAOYSA-N 2 0 316.493 3.123 20 30 DGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000305742826 657996567 /nfs/dbraw/zinc/99/65/67/657996567.db2.gz IPZFNUIXAJHUAG-CALCHBBNSA-N 2 0 322.541 3.372 20 30 DGEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000392861565 685216156 /nfs/dbraw/zinc/21/61/56/685216156.db2.gz NDMOUJDTCGZIAZ-MRXNPFEDSA-N 2 0 310.441 3.454 20 30 DGEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C3(C#N)CC3)cc1)CC[NH2+]CC2 ZINC001576639007 1191857999 /nfs/dbraw/zinc/85/79/99/1191857999.db2.gz VACSHQUAXCQXNQ-INIZCTEOSA-N 2 0 309.457 3.206 20 30 DGEDRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001579194395 1191968774 /nfs/dbraw/zinc/96/87/74/1191968774.db2.gz MZYCIGVTQZSMOW-BEFAXECRSA-N 2 0 323.440 3.302 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001580065484 1192005664 /nfs/dbraw/zinc/00/56/64/1192005664.db2.gz JSXKNQSKBFOIBP-FRFSOERESA-N 2 0 303.837 3.222 20 30 DGEDRP N#Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1Cl ZINC001620913474 1192592419 /nfs/dbraw/zinc/59/24/19/1192592419.db2.gz IINMSYDZGIDNMP-UHFFFAOYSA-N 2 0 323.787 3.082 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001331441071 1178214735 /nfs/dbraw/zinc/21/47/35/1178214735.db2.gz VWACEBYRWKRJHC-IRXDYDNUSA-N 2 0 323.525 3.042 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC001343335770 1179257501 /nfs/dbraw/zinc/25/75/01/1179257501.db2.gz XSWCXOKQFDZXQX-WSTZPKSXSA-N 2 0 323.484 3.404 20 30 DGEDRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@H]2C1 ZINC001343335767 1179257998 /nfs/dbraw/zinc/25/79/98/1179257998.db2.gz XSWCXOKQFDZXQX-QWFCFKBJSA-N 2 0 323.484 3.404 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001560548164 1189339687 /nfs/dbraw/zinc/33/96/87/1189339687.db2.gz DNLNROPYYMBIGW-UHFFFAOYSA-N 2 0 314.473 3.299 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001567774794 1190294742 /nfs/dbraw/zinc/29/47/42/1190294742.db2.gz NSLGGKATMBOCPN-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC001574908100 1191457679 /nfs/dbraw/zinc/45/76/79/1191457679.db2.gz DAVAFUCKBRBFMC-QGZVFWFLSA-N 2 0 315.461 3.280 20 30 DGEDRP C=CCOCCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001644168258 1195086346 /nfs/dbraw/zinc/08/63/46/1195086346.db2.gz SNMHUXUAYGBZEL-BGYRXZFFSA-N 2 0 314.473 3.033 20 30 DGEDRP C#CC[N@H+](C)CCCNCc1cc2cccc(C)c2nc1Cl ZINC001656336062 1196030919 /nfs/dbraw/zinc/03/09/19/1196030919.db2.gz IPKNIIKTIDPZCF-UHFFFAOYSA-N 2 0 315.848 3.241 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000303865681 1199601143 /nfs/dbraw/zinc/60/11/43/1199601143.db2.gz BSUYAICMKSCMSL-CRAIPNDOSA-N 2 0 302.466 3.232 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303884117 1199601234 /nfs/dbraw/zinc/60/12/34/1199601234.db2.gz MQXMWSZINUCLHH-IYBDPMFKSA-N 2 0 316.493 3.478 20 30 DGEDRP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001690440472 1200556587 /nfs/dbraw/zinc/55/65/87/1200556587.db2.gz GIEMPXUMVRJBTI-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717414585 1203639367 /nfs/dbraw/zinc/63/93/67/1203639367.db2.gz DEJGSCOETQRBGD-HZPDHXFCSA-N 2 0 323.525 3.088 20 30 DGEDRP C#CCCC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001209265759 1081704187 /nfs/dbraw/zinc/70/41/87/1081704187.db2.gz HROLKOPMIGTPHO-YSIASYRMSA-N 2 0 311.473 3.027 20 30 DGEDRP C=CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209439731 1081753418 /nfs/dbraw/zinc/75/34/18/1081753418.db2.gz XDDDKKNZMVLFCI-MOPGFXCFSA-N 2 0 307.526 3.223 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369719 1083280590 /nfs/dbraw/zinc/28/05/90/1083280590.db2.gz RILFAPYANIRZEN-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018772 1084739697 /nfs/dbraw/zinc/73/96/97/1084739697.db2.gz WROUSYJKWMFWCQ-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168232741 1087065529 /nfs/dbraw/zinc/06/55/29/1087065529.db2.gz BKDNRTWNACRWOO-FGTMMUONSA-N 2 0 303.425 3.121 20 30 DGEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464687 1088617557 /nfs/dbraw/zinc/61/75/57/1088617557.db2.gz SESWKESSUTUGJM-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867560 1088997292 /nfs/dbraw/zinc/99/72/92/1088997292.db2.gz HEDRPWBVDOXELY-MSOLQXFVSA-N 2 0 323.525 3.070 20 30 DGEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619925 1089188694 /nfs/dbraw/zinc/18/86/94/1089188694.db2.gz CIKQKXAXJLFXQZ-QZTJIDSGSA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617991 1089836415 /nfs/dbraw/zinc/83/64/15/1089836415.db2.gz YRCGGEUBPGBUAX-UHFFFAOYSA-N 2 0 316.449 3.014 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001138666147 1091281109 /nfs/dbraw/zinc/28/11/09/1091281109.db2.gz JZFHDNHGQNFOOM-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP CCCCCCCCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206491799 1091648804 /nfs/dbraw/zinc/64/88/04/1091648804.db2.gz MGKBQKWKJCNBPZ-MAUKXSAKSA-N 2 0 324.534 3.403 20 30 DGEDRP Cn1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206573498 1091673304 /nfs/dbraw/zinc/67/33/04/1091673304.db2.gz MCEHDMAQTUEPLQ-IBGZPJMESA-N 2 0 310.445 3.001 20 30 DGEDRP C[NH+]1CCC(CC[NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001207484416 1091984148 /nfs/dbraw/zinc/98/41/48/1091984148.db2.gz JXDPIJZPOWWYCA-UHFFFAOYSA-N 2 0 311.473 3.470 20 30 DGEDRP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001209162338 1092678181 /nfs/dbraw/zinc/67/81/81/1092678181.db2.gz VTFJETGPHZFPQL-QYZOEREBSA-N 2 0 316.493 3.023 20 30 DGEDRP C=CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209200430 1092691495 /nfs/dbraw/zinc/69/14/95/1092691495.db2.gz JEXGPZHTWSPWTC-QGZVFWFLSA-N 2 0 322.493 3.082 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209631882 1092854376 /nfs/dbraw/zinc/85/43/76/1092854376.db2.gz HPIZMNRAIVSBEV-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744082 1093267123 /nfs/dbraw/zinc/26/71/23/1093267123.db2.gz OLNRUNHJEDLNLV-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000303904215 1093855657 /nfs/dbraw/zinc/85/56/57/1093855657.db2.gz UVOHKFTUPFFHHN-UHFFFAOYSA-N 2 0 322.456 3.170 20 30 DGEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134791158 1094290508 /nfs/dbraw/zinc/29/05/08/1094290508.db2.gz ONBGEVJXWICMMH-CVEARBPZSA-N 2 0 323.525 3.088 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170785114 1094371789 /nfs/dbraw/zinc/37/17/89/1094371789.db2.gz OIJSSRPRRLRUPS-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980350 1094773385 /nfs/dbraw/zinc/77/33/85/1094773385.db2.gz ODDRWTBIYHJGFN-IAGOWNOFSA-N 2 0 313.530 3.172 20 30 DGEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCCCCC)CCCCC1 ZINC001115776110 1095382607 /nfs/dbraw/zinc/38/26/07/1095382607.db2.gz JHCZTAJCJLERFE-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171122312 1095439145 /nfs/dbraw/zinc/43/91/45/1095439145.db2.gz YFSJCVZKZVSMPJ-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452530 1095622007 /nfs/dbraw/zinc/62/20/07/1095622007.db2.gz GIALKYOFUKYCHO-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001171230436 1095867732 /nfs/dbraw/zinc/86/77/32/1095867732.db2.gz DKCBKRIFPZYISB-QGZVFWFLSA-N 2 0 320.440 3.015 20 30 DGEDRP C=CCO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001117931780 1095903583 /nfs/dbraw/zinc/90/35/83/1095903583.db2.gz GFDZUKPQLQPQKX-FQEVSTJZSA-N 2 0 314.473 3.449 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172311267 1097097393 /nfs/dbraw/zinc/09/73/93/1097097393.db2.gz AVNPKWYZSSKSJT-KRWDZBQOSA-N 2 0 311.473 3.440 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001172297427 1097108667 /nfs/dbraw/zinc/10/86/67/1097108667.db2.gz PIPQNZZJDPIUQR-MRXNPFEDSA-N 2 0 311.473 3.486 20 30 DGEDRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC2)c1 ZINC001172492892 1097167995 /nfs/dbraw/zinc/16/79/95/1097167995.db2.gz PLCJLPLQJZPVOE-INIZCTEOSA-N 2 0 315.461 3.113 20 30 DGEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@@H](C)CCCC#N ZINC001172500221 1097172474 /nfs/dbraw/zinc/17/24/74/1097172474.db2.gz KPYGAXNPBQJXSM-SFHVURJKSA-N 2 0 310.530 3.054 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001172502998 1097173370 /nfs/dbraw/zinc/17/33/70/1097173370.db2.gz VGKURPKTNYUGOL-SFHVURJKSA-N 2 0 309.542 3.447 20 30 DGEDRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172509802 1097175051 /nfs/dbraw/zinc/17/50/51/1097175051.db2.gz QUQQHHLDULGFRA-IBGZPJMESA-N 2 0 322.541 3.198 20 30 DGEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(C[NH+]2CCCCC2)c1 ZINC001229449143 1097324395 /nfs/dbraw/zinc/32/43/95/1097324395.db2.gz YRGOUOKIKLPPRR-LJQANCHMSA-N 2 0 316.469 3.040 20 30 DGEDRP COC1CC[NH+](C2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173339380 1097421963 /nfs/dbraw/zinc/42/19/63/1097421963.db2.gz GDOUXYKYHHLXTR-UHFFFAOYSA-N 2 0 319.493 3.034 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649960 1097803107 /nfs/dbraw/zinc/80/31/07/1097803107.db2.gz LYWWIKTVWQOEOE-KRWDZBQOSA-N 2 0 323.525 3.092 20 30 DGEDRP CCN(CCC[NH+](C)C)Cc1ccc(Br)c(C#N)c1 ZINC001232897352 1098167050 /nfs/dbraw/zinc/16/70/50/1098167050.db2.gz HGVPTWYRHBQCLZ-UHFFFAOYSA-N 2 0 324.266 3.094 20 30 DGEDRP N#Cc1cccc2c(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c[nH]c21 ZINC001235156307 1098841554 /nfs/dbraw/zinc/84/15/54/1098841554.db2.gz PJLMWJBBGSNNCT-IBGZPJMESA-N 2 0 322.456 3.394 20 30 DGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235230644 1098904718 /nfs/dbraw/zinc/90/47/18/1098904718.db2.gz VXWVLGBITJJIQY-SFHVURJKSA-N 2 0 301.409 3.051 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1O ZINC001235231617 1098905479 /nfs/dbraw/zinc/90/54/79/1098905479.db2.gz VALDLOJJCSURKS-IBGZPJMESA-N 2 0 314.473 3.475 20 30 DGEDRP N#Cc1ccc(CCC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233871 1098908009 /nfs/dbraw/zinc/90/80/09/1098908009.db2.gz UOTCWSBQNNVMHX-HXUWFJFHSA-N 2 0 311.473 3.345 20 30 DGEDRP C=CCC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693539 1098911671 /nfs/dbraw/zinc/91/16/71/1098911671.db2.gz VPIKPRRVUYCFJW-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693640 1098912100 /nfs/dbraw/zinc/91/21/00/1098912100.db2.gz YOXZNVYUBWGBML-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1C#Cc1ccccc1 ZINC001235253795 1098924163 /nfs/dbraw/zinc/92/41/63/1098924163.db2.gz DTZWVWUJSSPTKH-ACRUOGEOSA-N 2 0 302.421 3.008 20 30 DGEDRP CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235348574 1098970754 /nfs/dbraw/zinc/97/07/54/1098970754.db2.gz HHPDFDBMJDDGLY-HKUYNNGSSA-N 2 0 324.509 3.212 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235424835 1099015074 /nfs/dbraw/zinc/01/50/74/1099015074.db2.gz KJTMDMLHWIGPCY-VQTJNVASSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431099 1099025401 /nfs/dbraw/zinc/02/54/01/1099025401.db2.gz UPEFDAULUSVVBU-DLBZAZTESA-N 2 0 322.456 3.251 20 30 DGEDRP CCCCCCCC[N@H+](C)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235662887 1099113096 /nfs/dbraw/zinc/11/30/96/1099113096.db2.gz DCDBQSCDGHJEID-UHFFFAOYSA-N 2 0 319.493 3.167 20 30 DGEDRP C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841633 1099204408 /nfs/dbraw/zinc/20/44/08/1099204408.db2.gz GMBQVDQYQBJLMY-GOSISDBHSA-N 2 0 321.424 3.392 20 30 DGEDRP C=CCCCCC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274563 1099364774 /nfs/dbraw/zinc/36/47/74/1099364774.db2.gz KGCBICDZVJPWCC-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352033 1099380251 /nfs/dbraw/zinc/38/02/51/1099380251.db2.gz MLHYMRLXWFBDRP-HDICACEKSA-N 2 0 323.525 3.092 20 30 DGEDRP CCc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)ccc1C#N ZINC001238767394 1100523341 /nfs/dbraw/zinc/52/33/41/1100523341.db2.gz BIDUJLVPRPWTRA-UHFFFAOYSA-N 2 0 311.473 3.428 20 30 DGEDRP N#Cc1cc(-c2cc(N3CCCCC3)cc[nH+]2)cc(C2C[NH2+]C2)c1 ZINC001240342894 1100949814 /nfs/dbraw/zinc/94/98/14/1100949814.db2.gz CQPKBCUSNCEVGU-UHFFFAOYSA-N 2 0 318.424 3.297 20 30 DGEDRP N#Cc1cc(-c2cccc(C3([NH3+])CCC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360424 1100959569 /nfs/dbraw/zinc/95/95/69/1100959569.db2.gz FQKGCCVABVEFIH-UHFFFAOYSA-N 2 0 303.409 3.250 20 30 DGEDRP Cc1cc(C#N)cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001242479718 1102158884 /nfs/dbraw/zinc/15/88/84/1102158884.db2.gz FRSZKIZIKMCJGW-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP Cc1c(C#N)cccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001244818546 1103700346 /nfs/dbraw/zinc/70/03/46/1103700346.db2.gz YGAVWUHDCCAAQC-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202496088 1103803355 /nfs/dbraw/zinc/80/33/55/1103803355.db2.gz NWFSLFMXHJEYRE-QGZVFWFLSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001137122885 1103996760 /nfs/dbraw/zinc/99/67/60/1103996760.db2.gz XOKLUWYRYBVIDL-UHFFFAOYSA-N 2 0 315.461 3.285 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)cc1OC ZINC001649171165 1104164385 /nfs/dbraw/zinc/16/43/85/1104164385.db2.gz KNONAHNHXMKPRL-UHFFFAOYSA-N 2 0 318.461 3.082 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245985530 1104347070 /nfs/dbraw/zinc/34/70/70/1104347070.db2.gz RAOSLFDKDMTPRO-NCXUSEDFSA-N 2 0 308.510 3.099 20 30 DGEDRP CCCCCCCCCC[C@H](O)CNC(=[NH2+])C1CC[NH2+]CC1 ZINC001246003206 1104350179 /nfs/dbraw/zinc/35/01/79/1104350179.db2.gz PWMSBGPZYRKJEL-KRWDZBQOSA-N 2 0 311.514 3.445 20 30 DGEDRP CCCCCCC[N@H+](CC)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246042441 1104356910 /nfs/dbraw/zinc/35/69/10/1104356910.db2.gz GNXIAIGJXTWDSA-RBUKOAKNSA-N 2 0 306.494 3.210 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246044033 1104357426 /nfs/dbraw/zinc/35/74/26/1104357426.db2.gz FEACEAGXWUZYSD-FHWLQOOXSA-N 2 0 310.526 3.419 20 30 DGEDRP C=CCC[C@H](O)C[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065106 1104365415 /nfs/dbraw/zinc/36/54/15/1104365415.db2.gz GWXRRMUQARAFTJ-FHWLQOOXSA-N 2 0 308.510 3.466 20 30 DGEDRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246114269 1104391376 /nfs/dbraw/zinc/39/13/76/1104391376.db2.gz VGQVLHGALXGAQX-WSCVDHEUSA-N 2 0 311.473 3.368 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246136856 1104401261 /nfs/dbraw/zinc/40/12/61/1104401261.db2.gz YHDBAQKCWDJCMR-MRXNPFEDSA-N 2 0 321.513 3.390 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246260882 1104463660 /nfs/dbraw/zinc/46/36/60/1104463660.db2.gz BVIUHBCTHJVDJH-RTWAWAEBSA-N 2 0 304.437 3.121 20 30 DGEDRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246301369 1104479164 /nfs/dbraw/zinc/47/91/64/1104479164.db2.gz SIYISCHBIJJXMJ-VIQWUECVSA-N 2 0 317.452 3.493 20 30 DGEDRP CC[C@H]1CC([NH2+]CCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327085 1104490808 /nfs/dbraw/zinc/49/08/08/1104490808.db2.gz HYHRBWUYCALACT-IRXDYDNUSA-N 2 0 315.461 3.226 20 30 DGEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1C ZINC001246485297 1104561365 /nfs/dbraw/zinc/56/13/65/1104561365.db2.gz SYBPOWATUHNXFQ-UXHICEINSA-N 2 0 321.468 3.372 20 30 DGEDRP C=CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001274974342 1104563747 /nfs/dbraw/zinc/56/37/47/1104563747.db2.gz INESNYDXYPRRCW-LJQANCHMSA-N 2 0 316.493 3.027 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CCC2)C2C[NH2+]C2)CC1 ZINC001246520996 1104575803 /nfs/dbraw/zinc/57/58/03/1104575803.db2.gz XVJZHGKDNMTTBI-KBWCOIMZSA-N 2 0 323.484 3.368 20 30 DGEDRP C=CCOc1cccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001276091370 1105015335 /nfs/dbraw/zinc/01/53/35/1105015335.db2.gz ONAVBCPVSHUVFO-LJQANCHMSA-N 2 0 300.446 3.169 20 30 DGEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001252620176 1105805695 /nfs/dbraw/zinc/80/56/95/1105805695.db2.gz QZSHWCZDYVTTOL-LJQANCHMSA-N 2 0 308.510 3.195 20 30 DGEDRP C=CCCCC[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040702 1106012394 /nfs/dbraw/zinc/01/23/94/1106012394.db2.gz WGNOUUNUNDOQPE-UHFFFAOYSA-N 2 0 316.489 3.302 20 30 DGEDRP C[N@@H+]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254346071 1106057316 /nfs/dbraw/zinc/05/73/16/1106057316.db2.gz ITVSULKLBQRYNE-VNCLNFNDSA-N 2 0 315.436 3.071 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254448658 1106073241 /nfs/dbraw/zinc/07/32/41/1106073241.db2.gz DKIXKPXEHVJQRP-UHFFFAOYSA-N 2 0 317.521 3.001 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCCCCC2)CC1 ZINC001255893405 1106340327 /nfs/dbraw/zinc/34/03/27/1106340327.db2.gz JXNOZXDSKNSRNB-UHFFFAOYSA-N 2 0 305.510 3.001 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](CC)CCCC)CC1 ZINC001257425979 1106586971 /nfs/dbraw/zinc/58/69/71/1106586971.db2.gz DFWASEZKDBAEFO-LJQANCHMSA-N 2 0 307.526 3.247 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001258727117 1106931660 /nfs/dbraw/zinc/93/16/60/1106931660.db2.gz BSUPFSIHQUWTPB-KRWDZBQOSA-N 2 0 316.493 3.205 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001258728108 1106935620 /nfs/dbraw/zinc/93/56/20/1106935620.db2.gz LHOMBOBQIXTILK-YTQUADARSA-N 2 0 306.494 3.021 20 30 DGEDRP C=CCC[C@H](C)[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001258733892 1106939596 /nfs/dbraw/zinc/93/95/96/1106939596.db2.gz NSKXBKLTLROLBH-IBGZPJMESA-N 2 0 309.542 3.471 20 30 DGEDRP CCC[NH+]1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001258769463 1106964979 /nfs/dbraw/zinc/96/49/79/1106964979.db2.gz OYIFMASMGCBIGL-UHFFFAOYSA-N 2 0 310.445 3.061 20 30 DGEDRP C=CCCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308393980 1111425093 /nfs/dbraw/zinc/42/50/93/1111425093.db2.gz YRTKHWULIVQKPH-UHFFFAOYSA-N 2 0 312.360 3.126 20 30 DGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442786396 239122370 /nfs/dbraw/zinc/12/23/70/239122370.db2.gz XGJICVFROIMBEF-KRFUXDQASA-N 2 0 311.473 3.425 20 30 DGEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)c(F)c1 ZINC000343674649 254175974 /nfs/dbraw/zinc/17/59/74/254175974.db2.gz ZOKODXCZVDSJMM-UHFFFAOYSA-N 2 0 306.344 3.173 20 30 DGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000596097493 400316453 /nfs/dbraw/zinc/31/64/53/400316453.db2.gz YCAOIVITJQTIEY-XLIONFOSSA-N 2 0 309.457 3.257 20 30 DGEDRP C=CCCSCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649721 400472057 /nfs/dbraw/zinc/47/20/57/400472057.db2.gz GFHWZRDZQYFXHJ-FUHWJXTLSA-N 2 0 318.486 3.141 20 30 DGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573317 400540997 /nfs/dbraw/zinc/54/09/97/400540997.db2.gz ITWYBUUSCAQDCW-NSHDSACASA-N 2 0 314.820 3.225 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000591573456 400541947 /nfs/dbraw/zinc/54/19/47/400541947.db2.gz YWAYKTBACJJCAS-HYVNUMGLSA-N 2 0 303.837 3.222 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC000449144145 286058655 /nfs/dbraw/zinc/05/86/55/286058655.db2.gz YPHFWYIIJHQQSZ-TXQGORRRSA-N 2 0 321.509 3.185 20 30 DGEDRP N#Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246940947 432183690 /nfs/dbraw/zinc/18/36/90/432183690.db2.gz UDYLFWKVAUCAEY-KXBFYZLASA-N 2 0 313.420 3.146 20 30 DGEDRP N#CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000342724107 229117239 /nfs/dbraw/zinc/11/72/39/229117239.db2.gz DIIXINRUXDWBKS-AZUAARDMSA-N 2 0 309.457 3.201 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000153009833 432375952 /nfs/dbraw/zinc/37/59/52/432375952.db2.gz QWRDYCYDMFHAKT-IVZQSRNASA-N 2 0 320.502 3.115 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264065699 432611838 /nfs/dbraw/zinc/61/18/38/432611838.db2.gz BDBMSDWYIJENOV-CQSZACIVSA-N 2 0 300.450 3.021 20 30 DGEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000264081395 432613403 /nfs/dbraw/zinc/61/34/03/432613403.db2.gz HJWAVGBVUFIYNN-OAHLLOKOSA-N 2 0 302.466 3.269 20 30 DGEDRP C=CCSCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274954599 432723031 /nfs/dbraw/zinc/72/30/31/432723031.db2.gz VQDRDFLNSTUJTC-AEFFLSMTSA-N 2 0 304.503 3.406 20 30 DGEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236866983 432769330 /nfs/dbraw/zinc/76/93/30/432769330.db2.gz BEMHSBMHGFIBOR-GOSISDBHSA-N 2 0 315.461 3.191 20 30 DGEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000267448582 432834478 /nfs/dbraw/zinc/83/44/78/432834478.db2.gz QPCDSSUWIJCOHL-GOSISDBHSA-N 2 0 308.429 3.078 20 30 DGEDRP C[NH+](C)CCCCCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288655927 432895527 /nfs/dbraw/zinc/89/55/27/432895527.db2.gz FUOINXRLXTVQCI-UHFFFAOYSA-N 2 0 312.408 3.204 20 30 DGEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983226 432924582 /nfs/dbraw/zinc/92/45/82/432924582.db2.gz POXUQMUXWXFVGB-IAGOWNOFSA-N 2 0 306.450 3.113 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000374172033 433181190 /nfs/dbraw/zinc/18/11/90/433181190.db2.gz KSJSTVHQPXSQNY-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP CCN1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299350206 433364046 /nfs/dbraw/zinc/36/40/46/433364046.db2.gz NEUNQYVMBKKTCN-GPJFCIFZSA-N 2 0 311.473 3.464 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000421367642 433511628 /nfs/dbraw/zinc/51/16/28/433511628.db2.gz FGHBQOCGSIBVGE-UHFFFAOYSA-N 2 0 318.461 3.222 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000368967181 434585492 /nfs/dbraw/zinc/58/54/92/434585492.db2.gz VOQHYTNVAMBNSR-INIZCTEOSA-N 2 0 313.445 3.038 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCSCC#N)C1 ZINC000369837538 434601335 /nfs/dbraw/zinc/60/13/35/434601335.db2.gz GFPKDNUEGCSBRB-IRXDYDNUSA-N 2 0 309.523 3.220 20 30 DGEDRP CN(Cc1ccc(C#N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000573184514 434879136 /nfs/dbraw/zinc/87/91/36/434879136.db2.gz LKFRKULJARLTFB-UHFFFAOYSA-N 2 0 320.440 3.050 20 30 DGEDRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000466420441 435076232 /nfs/dbraw/zinc/07/62/32/435076232.db2.gz AZZXIYWEMQCILY-LAUBAEHRSA-N 2 0 319.452 3.353 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000565331456 435277680 /nfs/dbraw/zinc/27/76/80/435277680.db2.gz HQQIMJFLGKBEJN-MJGOQNOKSA-N 2 0 300.446 3.168 20 30 DGEDRP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567604301 435332462 /nfs/dbraw/zinc/33/24/62/435332462.db2.gz NJARCGWOQHXSIP-MTNOOBJLSA-N 2 0 313.445 3.018 20 30 DGEDRP C=CCc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(OC)c1O ZINC000650711221 435998280 /nfs/dbraw/zinc/99/82/80/435998280.db2.gz MIEXGIBFSOIXHC-PBHICJAKSA-N 2 0 318.461 3.079 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647481028 436062414 /nfs/dbraw/zinc/06/24/14/436062414.db2.gz SGJHZBRUCOARPH-HKUYNNGSSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CCC[NH2+]1 ZINC000662683994 436378911 /nfs/dbraw/zinc/37/89/11/436378911.db2.gz VHEPJIGYEGXJFF-IBGZPJMESA-N 2 0 315.461 3.165 20 30 DGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167419 436392878 /nfs/dbraw/zinc/39/28/78/436392878.db2.gz SDUIHROAIRXZGT-IAGOWNOFSA-N 2 0 301.478 3.484 20 30 DGEDRP C=CCOCCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658205791 436399700 /nfs/dbraw/zinc/39/97/00/436399700.db2.gz JQGWSRYUUFVISY-SFHVURJKSA-N 2 0 316.489 3.264 20 30 DGEDRP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)ccc1C#N ZINC000443955441 533709272 /nfs/dbraw/zinc/70/92/72/533709272.db2.gz DEOBIUCYUJPASQ-UHFFFAOYSA-N 2 0 323.440 3.097 20 30 DGEDRP C=CCCC[C@@H](C)[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000562990769 333020674 /nfs/dbraw/zinc/02/06/74/333020674.db2.gz FRAKIQBOMBQLKB-SJORKVTESA-N 2 0 315.461 3.348 20 30 DGEDRP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1C#N ZINC000415051963 533894738 /nfs/dbraw/zinc/89/47/38/533894738.db2.gz KGHMRIXFNKVKFK-SFHVURJKSA-N 2 0 309.413 3.137 20 30 DGEDRP C=C(C)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000351890381 526439415 /nfs/dbraw/zinc/43/94/15/526439415.db2.gz MUVCQGRGHCKLHF-UHFFFAOYSA-N 2 0 307.526 3.081 20 30 DGEDRP C=CCOc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1OC ZINC000347107675 526863554 /nfs/dbraw/zinc/86/35/54/526863554.db2.gz OKZFYVBGBHKXDR-UHFFFAOYSA-N 2 0 318.461 3.224 20 30 DGEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000174346554 526998599 /nfs/dbraw/zinc/99/85/99/526998599.db2.gz XZSXLAVYVOJGNF-LJQANCHMSA-N 2 0 313.489 3.471 20 30 DGEDRP C=CCCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375759265 527131664 /nfs/dbraw/zinc/13/16/64/527131664.db2.gz XFGBTXLRRDTJCN-UHFFFAOYSA-N 2 0 307.526 3.082 20 30 DGEDRP C=CCOCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684204419 549594312 /nfs/dbraw/zinc/59/43/12/549594312.db2.gz AAGSMWFRFZEOIM-PKOBYXMFSA-N 2 0 302.462 3.079 20 30 DGEDRP C[C@H](CCC#N)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791748 618831394 /nfs/dbraw/zinc/83/13/94/618831394.db2.gz FKZZCDRMSWVUAB-YZGWKJHDSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCO1 ZINC000927040063 619259830 /nfs/dbraw/zinc/25/98/30/619259830.db2.gz WIOYXKONVFFPBQ-QGLXBCBXSA-N 2 0 306.494 3.497 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000873236786 623086983 /nfs/dbraw/zinc/08/69/83/623086983.db2.gz DXNFHEJLHFVLTI-MRXNPFEDSA-N 2 0 320.436 3.195 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294118 623106286 /nfs/dbraw/zinc/10/62/86/623106286.db2.gz SUHBIXVUQDOIGQ-HZPDHXFCSA-N 2 0 304.434 3.035 20 30 DGEDRP C#CCCCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000876653449 623671446 /nfs/dbraw/zinc/67/14/46/623671446.db2.gz QRBIYWUWAZIUAH-PMACEKPBSA-N 2 0 319.537 3.061 20 30 DGEDRP C#CCCCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000876653450 623671455 /nfs/dbraw/zinc/67/14/55/623671455.db2.gz QRBIYWUWAZIUAH-WOJBJXKFSA-N 2 0 319.537 3.061 20 30 DGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876726328 623690697 /nfs/dbraw/zinc/69/06/97/623690697.db2.gz YMWKGDYLWAJKQF-INIZCTEOSA-N 2 0 321.852 3.081 20 30 DGEDRP C[NH+]1CCC2(CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000799177916 626277873 /nfs/dbraw/zinc/27/78/73/626277873.db2.gz ADPILAWXMMJMEZ-UHFFFAOYSA-N 2 0 316.876 3.499 20 30 DGEDRP C=CCC[C@H](COc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000883210232 626610048 /nfs/dbraw/zinc/61/00/48/626610048.db2.gz PWDBNVSFIAQFKN-GOSISDBHSA-N 2 0 300.446 3.252 20 30 DGEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000883236924 626619119 /nfs/dbraw/zinc/61/91/19/626619119.db2.gz NFXWRJIPAAPRFE-MOPGFXCFSA-N 2 0 306.494 3.212 20 30 DGEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000809615273 626926499 /nfs/dbraw/zinc/92/64/99/626926499.db2.gz XQKZDMWVIAGMHQ-JOCHJYFZSA-N 2 0 318.464 3.322 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886605737 627171775 /nfs/dbraw/zinc/17/17/75/627171775.db2.gz XIZWMZYSGRKXOE-BMHOQUIDSA-N 2 0 306.494 3.354 20 30 DGEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000887135018 627228106 /nfs/dbraw/zinc/22/81/06/627228106.db2.gz UXIRLAKYKVSMRK-INIZCTEOSA-N 2 0 300.450 3.312 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)c1 ZINC000104157344 627411220 /nfs/dbraw/zinc/41/12/20/627411220.db2.gz DMDXHRCBCQKBTJ-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCCC1 ZINC000926540854 627910683 /nfs/dbraw/zinc/91/06/83/627910683.db2.gz MWZVGGNZYYNOSQ-AYHJJNSGSA-N 2 0 306.494 3.354 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817587637 627926785 /nfs/dbraw/zinc/92/67/85/627926785.db2.gz ZRMFGFNVJPAAAU-ZLPCBKJTSA-N 2 0 300.446 3.222 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950240 627972630 /nfs/dbraw/zinc/97/26/30/627972630.db2.gz WWNCWXJUZNQPAP-FQEVSTJZSA-N 2 0 305.425 3.227 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000817954993 627973038 /nfs/dbraw/zinc/97/30/38/627973038.db2.gz OAGZQIIRVJYLOL-GJZGRUSLSA-N 2 0 308.853 3.468 20 30 DGEDRP C#CCSCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000823905231 628609125 /nfs/dbraw/zinc/60/91/25/628609125.db2.gz TTXGIBIMCWJNPX-QGZVFWFLSA-N 2 0 316.514 3.038 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000105456143 630712624 /nfs/dbraw/zinc/71/26/24/630712624.db2.gz AWNCBDLMFIXWDH-WMZOPIPTSA-N 2 0 315.461 3.187 20 30 DGEDRP CCCC[NH+]=C(NCCCC[NH+](C)C)NCc1ccc(C)cc1 ZINC000848989886 631798727 /nfs/dbraw/zinc/79/87/27/631798727.db2.gz JWKMDUFCNVQUFV-UHFFFAOYSA-N 2 0 318.509 3.172 20 30 DGEDRP CC(C)C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849101697 631835464 /nfs/dbraw/zinc/83/54/64/631835464.db2.gz DQBZVZDLNKEDQO-AEFFLSMTSA-N 2 0 318.509 3.231 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000236687248 655748249 /nfs/dbraw/zinc/74/82/49/655748249.db2.gz AAZJUCGVIBTSLV-UHFFFAOYSA-N 2 0 314.473 3.444 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000261985428 657272492 /nfs/dbraw/zinc/27/24/92/657272492.db2.gz JQUGAVQBMHGJAW-INIZCTEOSA-N 2 0 316.493 3.040 20 30 DGEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303262439 657526517 /nfs/dbraw/zinc/52/65/17/657526517.db2.gz PTWAUUUSBLHWIM-HZPDHXFCSA-N 2 0 316.493 3.121 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C)c1 ZINC000303783524 657561782 /nfs/dbraw/zinc/56/17/82/657561782.db2.gz OHUARBPEDCDNRH-QGZVFWFLSA-N 2 0 304.482 3.342 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000303778027 657561871 /nfs/dbraw/zinc/56/18/71/657561871.db2.gz JGSMWBJNRBWADD-MRXNPFEDSA-N 2 0 314.477 3.041 20 30 DGEDRP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303778957 657562206 /nfs/dbraw/zinc/56/22/06/657562206.db2.gz KEGQIZKSISDFMC-INIZCTEOSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)cc1 ZINC000303884042 657571139 /nfs/dbraw/zinc/57/11/39/657571139.db2.gz MNSXGOGNHKVIKC-CQSZACIVSA-N 2 0 302.466 3.269 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)cc1 ZINC000303884040 657571297 /nfs/dbraw/zinc/57/12/97/657571297.db2.gz MNSXGOGNHKVIKC-AWEZNQCLSA-N 2 0 302.466 3.269 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303899307 657575854 /nfs/dbraw/zinc/57/58/54/657575854.db2.gz RNKYPUYINZAAAH-BBRMVZONSA-N 2 0 302.466 3.150 20 30 DGEDRP CN(C)C(NCc1ccccc1)=[NH+]CCCCCCC[NH+](C)C ZINC000303904616 657577572 /nfs/dbraw/zinc/57/75/72/657577572.db2.gz YWSRVXLQYHLYQJ-UHFFFAOYSA-N 2 0 318.509 3.206 20 30 DGEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])NC(C)(C)C)c2)CC1 ZINC000303973495 657582505 /nfs/dbraw/zinc/58/25/05/657582505.db2.gz GZAOIRQFEHQHJZ-UHFFFAOYSA-N 2 0 316.493 3.121 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000304756379 657647289 /nfs/dbraw/zinc/64/72/89/657647289.db2.gz NRECDBFKVZCFNS-LSDHHAIUSA-N 2 0 302.466 3.269 20 30 DGEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305034435 657665680 /nfs/dbraw/zinc/66/56/80/657665680.db2.gz RZUNHQWFQARANU-IRXDYDNUSA-N 2 0 310.530 3.083 20 30 DGEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305034431 657665699 /nfs/dbraw/zinc/66/56/99/657665699.db2.gz RZUNHQWFQARANU-DLBZAZTESA-N 2 0 310.530 3.083 20 30 DGEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCCCCC1)c1ccccc1 ZINC000305031095 657665819 /nfs/dbraw/zinc/66/58/19/657665819.db2.gz ANHPAELFSXNKTC-INIZCTEOSA-N 2 0 316.493 3.307 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184330686 660164496 /nfs/dbraw/zinc/16/44/96/660164496.db2.gz LVABPZJMNDXBLR-IRXDYDNUSA-N 2 0 315.461 3.332 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000184330724 660164589 /nfs/dbraw/zinc/16/45/89/660164589.db2.gz LVABPZJMNDXBLR-DLBZAZTESA-N 2 0 315.461 3.332 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001502147387 1185963295 /nfs/dbraw/zinc/96/32/95/1185963295.db2.gz IHAOCUIQHLIVPV-GOSISDBHSA-N 2 0 323.525 3.023 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001656909116 1196082317 /nfs/dbraw/zinc/08/23/17/1196082317.db2.gz MGLVWRLVZMBOEY-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001569528138 1190713598 /nfs/dbraw/zinc/71/35/98/1190713598.db2.gz UCHAVZSRMFGJQH-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657649044 1196164616 /nfs/dbraw/zinc/16/46/16/1196164616.db2.gz IXUJTVZRLXMLFX-QGZVFWFLSA-N 2 0 301.478 3.273 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001665512870 1197146570 /nfs/dbraw/zinc/14/65/70/1197146570.db2.gz VOCKSEXNADFJIO-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000104169933 1199516450 /nfs/dbraw/zinc/51/64/50/1199516450.db2.gz MGZZSFXOTRPYHR-MRXNPFEDSA-N 2 0 302.466 3.234 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000303889421 1199601299 /nfs/dbraw/zinc/60/12/99/1199601299.db2.gz LVWIDIIEJNQSIE-IRXDYDNUSA-N 2 0 316.493 3.480 20 30 DGEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001700221396 1202213596 /nfs/dbraw/zinc/21/35/96/1202213596.db2.gz PRCFKTOPBOLLDT-KRWDZBQOSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183390135 1083935611 /nfs/dbraw/zinc/93/56/11/1083935611.db2.gz HYLCDOUGUJAEFT-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481710073 1084509281 /nfs/dbraw/zinc/50/92/81/1084509281.db2.gz VOCKSEXNADFJIO-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C[NH+](C)C1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001168316163 1087291844 /nfs/dbraw/zinc/29/18/44/1087291844.db2.gz XKSGAIJURZKOOT-UHFFFAOYSA-N 2 0 311.473 3.417 20 30 DGEDRP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483338558 1087475506 /nfs/dbraw/zinc/47/55/06/1087475506.db2.gz GGCIQADBEDPRIX-IAGOWNOFSA-N 2 0 323.525 3.042 20 30 DGEDRP N#Cc1c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)sc2c1CC[NH2+]C2 ZINC001159157351 1088209678 /nfs/dbraw/zinc/20/96/78/1088209678.db2.gz HWCWBIZJPFRTGT-INIZCTEOSA-N 2 0 324.453 3.434 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159910764 1088543857 /nfs/dbraw/zinc/54/38/57/1088543857.db2.gz UVIHHVUYIRYLCG-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001484720379 1089630532 /nfs/dbraw/zinc/63/05/32/1089630532.db2.gz NVZHUKNOYFRHOO-ZWKOTPCHSA-N 2 0 323.525 3.022 20 30 DGEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1[nH+]ccc2c1ccn2C ZINC001163466295 1090193293 /nfs/dbraw/zinc/19/32/93/1090193293.db2.gz OCERQXSFGNHMQB-UHFFFAOYSA-N 2 0 307.401 3.063 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCCC)CC2)cc1 ZINC001138560808 1091231106 /nfs/dbraw/zinc/23/11/06/1091231106.db2.gz OTKQWCAIBSLCDJ-UHFFFAOYSA-N 2 0 314.473 3.395 20 30 DGEDRP C=C(C)C[N@@H+](CC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305574 1091819855 /nfs/dbraw/zinc/81/98/55/1091819855.db2.gz CQQVXRMDJYRFDB-UHFFFAOYSA-N 2 0 301.478 3.227 20 30 DGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001207326754 1091924832 /nfs/dbraw/zinc/92/48/32/1091924832.db2.gz SARWDOGJVWZXGH-GOSISDBHSA-N 2 0 301.478 3.273 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1 ZINC001168818019 1092367016 /nfs/dbraw/zinc/36/70/16/1092367016.db2.gz OXYOIEVBNTWALF-YLJYHZDGSA-N 2 0 322.456 3.011 20 30 DGEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210182612 1093070325 /nfs/dbraw/zinc/07/03/25/1093070325.db2.gz ILPFBBGKMKJDHD-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634186 1093237140 /nfs/dbraw/zinc/23/71/40/1093237140.db2.gz KYXXTKMFASNUHP-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP N#Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276688996 1093267321 /nfs/dbraw/zinc/26/73/21/1093267321.db2.gz XKXKSHLODUGOCI-HDICACEKSA-N 2 0 324.472 3.040 20 30 DGEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726593 1095357826 /nfs/dbraw/zinc/35/78/26/1095357826.db2.gz JTQPSRYZGBJVID-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCCCCCC[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515384 1095648652 /nfs/dbraw/zinc/64/86/52/1095648652.db2.gz QCRJKLPGLFPKLK-UHFFFAOYSA-N 2 0 323.525 3.071 20 30 DGEDRP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C#N)c1)CC(C)(C)CC[NH3+] ZINC001171195825 1095693150 /nfs/dbraw/zinc/69/31/50/1095693150.db2.gz UXQPGKXBUKZKGY-HOTGVXAUSA-N 2 0 301.478 3.480 20 30 DGEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001171198709 1095712989 /nfs/dbraw/zinc/71/29/89/1095712989.db2.gz OJKPSSDGVSJACI-INIZCTEOSA-N 2 0 311.473 3.473 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232405 1095875965 /nfs/dbraw/zinc/87/59/65/1095875965.db2.gz RHTGZWIFRXDAIZ-QGZVFWFLSA-N 2 0 320.440 3.015 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146600660 1096068919 /nfs/dbraw/zinc/06/89/19/1096068919.db2.gz HZJJROGJEMUKQN-IRXDYDNUSA-N 2 0 313.530 3.170 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146600661 1096069048 /nfs/dbraw/zinc/06/90/48/1096069048.db2.gz HZJJROGJEMUKQN-SJORKVTESA-N 2 0 313.530 3.170 20 30 DGEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001273447131 1096480293 /nfs/dbraw/zinc/48/02/93/1096480293.db2.gz VHYJHXNAMJRQTG-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP C/C(N[C@H](C)Cc1ccc(C#N)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172307170 1097095859 /nfs/dbraw/zinc/09/58/59/1097095859.db2.gz CMCQRKRBCTVNMF-OAHLLOKOSA-N 2 0 320.440 3.156 20 30 DGEDRP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312933 1097098134 /nfs/dbraw/zinc/09/81/34/1097098134.db2.gz MHHUYSZSQDAUQA-QGZVFWFLSA-N 2 0 320.440 3.015 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001172349503 1097121636 /nfs/dbraw/zinc/12/16/36/1097121636.db2.gz DJECESUTIHKZBA-TVFCKZIOSA-N 2 0 314.514 3.440 20 30 DGEDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172493534 1097168778 /nfs/dbraw/zinc/16/87/78/1097168778.db2.gz UKVWPZYYLWXVCV-MRXNPFEDSA-N 2 0 315.461 3.113 20 30 DGEDRP C[C@@H](CCCC#N)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172495787 1097169838 /nfs/dbraw/zinc/16/98/38/1097169838.db2.gz UZKFSKJIOMLNAJ-JKSUJKDBSA-N 2 0 307.482 3.080 20 30 DGEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001229641549 1097357928 /nfs/dbraw/zinc/35/79/28/1097357928.db2.gz NIHMBZFKVNMEHI-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCOC1CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001173313688 1097408717 /nfs/dbraw/zinc/40/87/17/1097408717.db2.gz DHIFKVYEKJVSOD-UHFFFAOYSA-N 2 0 316.489 3.394 20 30 DGEDRP C#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)c1 ZINC001231657107 1097805250 /nfs/dbraw/zinc/80/52/50/1097805250.db2.gz MQFNZLRLPJLUJB-BGYRXZFFSA-N 2 0 320.436 3.215 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001232115911 1097941692 /nfs/dbraw/zinc/94/16/92/1097941692.db2.gz DEXKWPKUWLODGC-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277630857 1097968515 /nfs/dbraw/zinc/96/85/15/1097968515.db2.gz UGTQQHKWMBRWAI-UHFFFAOYSA-N 2 0 303.837 3.129 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175571672 1098100295 /nfs/dbraw/zinc/10/02/95/1098100295.db2.gz DPTLYAWXSYBHOP-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175571671 1098100386 /nfs/dbraw/zinc/10/03/86/1098100386.db2.gz DPTLYAWXSYBHOP-QZTJIDSGSA-N 2 0 323.525 3.090 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235154905 1098841950 /nfs/dbraw/zinc/84/19/50/1098841950.db2.gz XBQJFNGSLPNANP-HXUWFJFHSA-N 2 0 311.473 3.345 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235154904 1098842657 /nfs/dbraw/zinc/84/26/57/1098842657.db2.gz XBQJFNGSLPNANP-FQEVSTJZSA-N 2 0 311.473 3.345 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178633862 1098893761 /nfs/dbraw/zinc/89/37/61/1098893761.db2.gz ILWISSTWNVEOKU-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)s1 ZINC001235340520 1098964982 /nfs/dbraw/zinc/96/49/82/1098964982.db2.gz KJEIXEOUKDQKQR-QGZVFWFLSA-N 2 0 322.477 3.189 20 30 DGEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423349 1099017497 /nfs/dbraw/zinc/01/74/97/1099017497.db2.gz GCEAVWXFSMUDNA-HZPDHXFCSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427660 1099020168 /nfs/dbraw/zinc/02/01/68/1099020168.db2.gz MUNPPCFWXUAGOX-HOTGVXAUSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430749 1099025082 /nfs/dbraw/zinc/02/50/82/1099025082.db2.gz XTYASOUMMJKWPY-HOTGVXAUSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1ccc2cc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001235702471 1099136088 /nfs/dbraw/zinc/13/60/88/1099136088.db2.gz KNTNKYBQAPHNDK-UHFFFAOYSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccc1F ZINC001235895461 1099239627 /nfs/dbraw/zinc/23/96/27/1099239627.db2.gz KKZWBDUJSGRQFY-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180373048 1099400569 /nfs/dbraw/zinc/40/05/69/1099400569.db2.gz PCABWZWRGRKHJK-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP N#Cc1ccc(C[NH+](CCCC[NH3+])Cc2ccc(C#N)cc2)cc1 ZINC001236316914 1099530624 /nfs/dbraw/zinc/53/06/24/1099530624.db2.gz VZVLNVQAVMLKCM-UHFFFAOYSA-N 2 0 318.424 3.171 20 30 DGEDRP N#Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375495 1099565351 /nfs/dbraw/zinc/56/53/51/1099565351.db2.gz YWYLTWDVKRWHTR-MRXNPFEDSA-N 2 0 315.436 3.442 20 30 DGEDRP N#Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(F)c1 ZINC001236531591 1099666190 /nfs/dbraw/zinc/66/61/90/1099666190.db2.gz DAWKSJLQQWVELJ-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP C[C@@]1(C[NH3+])CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001236604798 1099699258 /nfs/dbraw/zinc/69/92/58/1099699258.db2.gz ODBWXOJGPBSRPH-IBGZPJMESA-N 2 0 310.466 3.319 20 30 DGEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961626 1099891388 /nfs/dbraw/zinc/89/13/88/1099891388.db2.gz FPEWWSQQFFHYJI-UHFFFAOYSA-N 2 0 311.473 3.468 20 30 DGEDRP N#Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1F ZINC001240160755 1100883220 /nfs/dbraw/zinc/88/32/20/1100883220.db2.gz ISJYZVBLJZEIFC-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP N#Cc1cc(-c2ccccc2C2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001240361200 1100959203 /nfs/dbraw/zinc/95/92/03/1100959203.db2.gz UOAFOMKQXDBNRW-UHFFFAOYSA-N 2 0 317.436 3.379 20 30 DGEDRP Cc1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cnc1C#N ZINC001242358068 1102075809 /nfs/dbraw/zinc/07/58/09/1102075809.db2.gz AOLRSZDQPIPQEV-UHFFFAOYSA-N 2 0 320.440 3.099 20 30 DGEDRP Cc1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)cnc1C#N ZINC001242358843 1102077251 /nfs/dbraw/zinc/07/72/51/1102077251.db2.gz WKBCGHBKGLUPRF-UHFFFAOYSA-N 2 0 320.440 3.099 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202474214 1103326433 /nfs/dbraw/zinc/32/64/33/1103326433.db2.gz XGNJBCFMXOUHTQ-SJLPKXTDSA-N 2 0 323.525 3.042 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC001329115888 1104158993 /nfs/dbraw/zinc/15/89/93/1104158993.db2.gz ZLGVKLHFLSIIIO-FUFFSDJGSA-N 2 0 309.457 3.217 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979473 1104345334 /nfs/dbraw/zinc/34/53/34/1104345334.db2.gz KBLLKZNOCYKXQK-QZTJIDSGSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001245988595 1104346473 /nfs/dbraw/zinc/34/64/73/1104346473.db2.gz IOPQBHAMXSZZHA-FHWLQOOXSA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1F ZINC001246001031 1104349756 /nfs/dbraw/zinc/34/97/56/1104349756.db2.gz KWCRIIPXJCZBDK-OKZBNKHCSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246071266 1104364223 /nfs/dbraw/zinc/36/42/23/1104364223.db2.gz RGFUNPJYDFSFLV-PKOBYXMFSA-N 2 0 308.510 3.338 20 30 DGEDRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246116794 1104395463 /nfs/dbraw/zinc/39/54/63/1104395463.db2.gz WZOJOQBZSSTDDB-CIILZPPKSA-N 2 0 311.473 3.420 20 30 DGEDRP CCCCCCCCC[C@@H](C)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246127791 1104398419 /nfs/dbraw/zinc/39/84/19/1104398419.db2.gz BWVHCWKQWYAWLL-MRXNPFEDSA-N 2 0 321.513 3.390 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246395819 1104523908 /nfs/dbraw/zinc/52/39/08/1104523908.db2.gz AKQSFXQXQTYCMU-SIIHOXLZSA-N 2 0 301.409 3.148 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246394343 1104524768 /nfs/dbraw/zinc/52/47/68/1104524768.db2.gz YCKODYOMZXKPNO-XWIAVFTESA-N 2 0 301.409 3.148 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1 ZINC001274892464 1104534603 /nfs/dbraw/zinc/53/46/03/1104534603.db2.gz RRYCGTUZYYHIGB-UHFFFAOYSA-N 2 0 311.473 3.299 20 30 DGEDRP C=CCCC[N@@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001274964192 1104557785 /nfs/dbraw/zinc/55/77/85/1104557785.db2.gz CJHXOJRSAHEUHM-IBGZPJMESA-N 2 0 316.493 3.027 20 30 DGEDRP CCCCCCCCC[C@H](C)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246626009 1104634260 /nfs/dbraw/zinc/63/42/60/1104634260.db2.gz JDDJGDHTYZLAHA-KRWDZBQOSA-N 2 0 323.525 3.070 20 30 DGEDRP C=CCC[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246632957 1104638644 /nfs/dbraw/zinc/63/86/44/1104638644.db2.gz CRFAUADFUHUFCD-MRXNPFEDSA-N 2 0 314.473 3.487 20 30 DGEDRP CCCCCCC[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001275130996 1104640861 /nfs/dbraw/zinc/64/08/61/1104640861.db2.gz MJWDOAZMCRILNS-RBUKOAKNSA-N 2 0 323.525 3.070 20 30 DGEDRP CCCCCCC[C@H](CC(C)C)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246646032 1104644310 /nfs/dbraw/zinc/64/43/10/1104644310.db2.gz WFOPVLQBPZDVST-MOPGFXCFSA-N 2 0 309.542 3.399 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246666936 1104654425 /nfs/dbraw/zinc/65/44/25/1104654425.db2.gz SWWLBQUNLGFZNN-OXJNMPFZSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246857374 1104711459 /nfs/dbraw/zinc/71/14/59/1104711459.db2.gz ZRTRGXYJNFCRNH-ZHALLVOQSA-N 2 0 324.509 3.210 20 30 DGEDRP C=CCCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276035767 1104993400 /nfs/dbraw/zinc/99/34/00/1104993400.db2.gz JWWSRIPTSIEOHI-KDURUIRLSA-N 2 0 316.493 3.300 20 30 DGEDRP C=CCCCCCC[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001276041327 1105003738 /nfs/dbraw/zinc/00/37/38/1105003738.db2.gz JYVNFGYQMHGGBR-BGYRXZFFSA-N 2 0 321.553 3.328 20 30 DGEDRP C=CCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252603519 1105802151 /nfs/dbraw/zinc/80/21/51/1105802151.db2.gz YTNIOPPNKWYURD-HXUWFJFHSA-N 2 0 316.489 3.158 20 30 DGEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001252620175 1105805862 /nfs/dbraw/zinc/80/58/62/1105805862.db2.gz QZSHWCZDYVTTOL-IBGZPJMESA-N 2 0 308.510 3.195 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636861 1106119041 /nfs/dbraw/zinc/11/90/41/1106119041.db2.gz NZQJAJBVEHNYOK-LTFPLMDUSA-N 2 0 309.457 3.464 20 30 DGEDRP N#C[C@H]1CC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001254668673 1106128686 /nfs/dbraw/zinc/12/86/86/1106128686.db2.gz HTYGRVUVTXHCPQ-OALUTQOASA-N 2 0 309.457 3.277 20 30 DGEDRP C=C1C[C@@H]2CC([NH+]3CCN(CC[NH+](CC)CC)CC3)C[C@H](C1)C2 ZINC001257889973 1106641530 /nfs/dbraw/zinc/64/15/30/1106641530.db2.gz PIRHDZUBWXQCCY-YOFSQIOKSA-N 2 0 319.537 3.081 20 30 DGEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258048475 1106663912 /nfs/dbraw/zinc/66/39/12/1106663912.db2.gz UZNWNSQUAYTPIY-CEXWTWQISA-N 2 0 309.542 3.446 20 30 DGEDRP CC(C)C[N@H+](CCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC001308024991 1111368565 /nfs/dbraw/zinc/36/85/65/1111368565.db2.gz OFPWZJGMJIGIQF-UHFFFAOYSA-N 2 0 313.489 3.401 20 30 DGEDRP Cn1cncc1C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001308165883 1111388394 /nfs/dbraw/zinc/38/83/94/1111388394.db2.gz GRZMUKFQNKJIFB-UHFFFAOYSA-N 2 0 314.820 3.325 20 30 DGEDRP N#Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000134927904 432090544 /nfs/dbraw/zinc/09/05/44/432090544.db2.gz UDYLFWKVAUCAEY-DNVCBOLYSA-N 2 0 313.420 3.146 20 30 DGEDRP N#CC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433069828 238145868 /nfs/dbraw/zinc/14/58/68/238145868.db2.gz WFTIJBWTKSXHTR-UHFFFAOYSA-N 2 0 309.457 3.278 20 30 DGEDRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000488144062 245152329 /nfs/dbraw/zinc/15/23/29/245152329.db2.gz VGGRITMCJVEJTQ-UYAOXDASSA-N 2 0 309.457 3.315 20 30 DGEDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1C#N ZINC000120808804 195242510 /nfs/dbraw/zinc/24/25/10/195242510.db2.gz GYRWWAIVCRLSSG-QGZVFWFLSA-N 2 0 315.461 3.024 20 30 DGEDRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000595104217 400107695 /nfs/dbraw/zinc/10/76/95/400107695.db2.gz QVYRURFGBLLUEW-AWEZNQCLSA-N 2 0 315.436 3.470 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575609 400501912 /nfs/dbraw/zinc/50/19/12/400501912.db2.gz SBUYLFQACSDPKF-ROUUACIJSA-N 2 0 321.509 3.043 20 30 DGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515169 400484923 /nfs/dbraw/zinc/48/49/23/400484923.db2.gz VMRHVEXDXMAILY-FGTMMUONSA-N 2 0 321.509 3.043 20 30 DGEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132023 400565650 /nfs/dbraw/zinc/56/56/50/400565650.db2.gz FRLBBUXXLBIXIG-PKOBYXMFSA-N 2 0 309.457 3.158 20 30 DGEDRP N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000615224369 401033051 /nfs/dbraw/zinc/03/30/51/401033051.db2.gz NURHTZMOOHPPFE-OAHLLOKOSA-N 2 0 300.793 3.245 20 30 DGEDRP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594969179 401212403 /nfs/dbraw/zinc/21/24/03/401212403.db2.gz OCIXUMOUQOLKNT-UHFFFAOYSA-N 2 0 314.477 3.213 20 30 DGEDRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612456 165260810 /nfs/dbraw/zinc/26/08/10/165260810.db2.gz HFLVZUSBLDWVLP-FQEVSTJZSA-N 2 0 324.472 3.143 20 30 DGEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000247029716 432194843 /nfs/dbraw/zinc/19/48/43/432194843.db2.gz MDTVLADZAXHYBN-GBESFXJTSA-N 2 0 307.526 3.005 20 30 DGEDRP N#Cc1csc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247291234 432220446 /nfs/dbraw/zinc/22/04/46/432220446.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 2 0 301.459 3.068 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCSCC#N)C1 ZINC000369837539 287275450 /nfs/dbraw/zinc/27/54/50/287275450.db2.gz GFPKDNUEGCSBRB-SJORKVTESA-N 2 0 309.523 3.220 20 30 DGEDRP N#CC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000343564365 229126594 /nfs/dbraw/zinc/12/65/94/229126594.db2.gz NQMZUZLFSWGKGC-UHFFFAOYSA-N 2 0 309.457 3.278 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360838657 270004633 /nfs/dbraw/zinc/00/46/33/270004633.db2.gz VCAGZTGTUCAQGU-UZLBHIALSA-N 2 0 309.457 3.400 20 30 DGEDRP CC(C)(CCC#N)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423118396 275859075 /nfs/dbraw/zinc/85/90/75/275859075.db2.gz AHKRXDMRIIYHPT-APWZRJJASA-N 2 0 313.445 3.162 20 30 DGEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NC(C)C ZINC000247316400 278167994 /nfs/dbraw/zinc/16/79/94/278167994.db2.gz KOBRWKOJVPJITF-GOEBONIOSA-N 2 0 322.522 3.095 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000069674733 431212247 /nfs/dbraw/zinc/21/22/47/431212247.db2.gz XZQDIQQRKGBFRG-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP CC1(C#N)CC[NH+](CCCCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356437686 280849417 /nfs/dbraw/zinc/84/94/17/280849417.db2.gz WJLUQUFJNAIUHM-UHFFFAOYSA-N 2 0 316.493 3.408 20 30 DGEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008132 432388376 /nfs/dbraw/zinc/38/83/76/432388376.db2.gz RPDLHZGHYOXOFT-MSOLQXFVSA-N 2 0 315.461 3.332 20 30 DGEDRP CCC[N@H+](C)C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154265204 432485481 /nfs/dbraw/zinc/48/54/81/432485481.db2.gz GNDASBLJWWBHLV-KRWDZBQOSA-N 2 0 304.865 3.355 20 30 DGEDRP C=CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272490498 432511112 /nfs/dbraw/zinc/51/11/12/432511112.db2.gz FHJWIMCXZWZQMQ-UHFFFAOYSA-N 2 0 318.461 3.082 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000264109411 432615386 /nfs/dbraw/zinc/61/53/86/432615386.db2.gz QOKSHNSGWZQGAY-UHFFFAOYSA-N 2 0 310.445 3.292 20 30 DGEDRP C[NH+]1CCC(CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267190169 432820961 /nfs/dbraw/zinc/82/09/61/432820961.db2.gz CBQJMZQPYAPOIE-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288641110 432895095 /nfs/dbraw/zinc/89/50/95/432895095.db2.gz CPXGYHJXKCTSTJ-ZDUSSCGKSA-N 2 0 324.419 3.059 20 30 DGEDRP C#Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000290439107 433053132 /nfs/dbraw/zinc/05/31/32/433053132.db2.gz SDBNHNSBLQJNFU-UHFFFAOYSA-N 2 0 305.425 3.069 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC000449144144 433726073 /nfs/dbraw/zinc/72/60/73/433726073.db2.gz YPHFWYIIJHQQSZ-RRENTHDGSA-N 2 0 321.509 3.185 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449546975 433750613 /nfs/dbraw/zinc/75/06/13/433750613.db2.gz GDRBJMQCXFMDPD-OWYHZJEWSA-N 2 0 306.494 3.353 20 30 DGEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000340159697 433943581 /nfs/dbraw/zinc/94/35/81/433943581.db2.gz UOKWIPGCHPQKLC-UHFFFAOYSA-N 2 0 315.461 3.121 20 30 DGEDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416575 434120006 /nfs/dbraw/zinc/12/00/06/434120006.db2.gz YMLPCPYLJUVONQ-HXUWFJFHSA-N 2 0 305.425 3.397 20 30 DGEDRP C=CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccco1 ZINC000286119546 434172275 /nfs/dbraw/zinc/17/22/75/434172275.db2.gz NONMDYYDOUBSBE-KSZLIROESA-N 2 0 318.461 3.254 20 30 DGEDRP CC(C)(C#N)CCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364354847 434268805 /nfs/dbraw/zinc/26/88/05/434268805.db2.gz QJUIOVQYXWFCSB-UHFFFAOYSA-N 2 0 321.509 3.141 20 30 DGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366659918 434476381 /nfs/dbraw/zinc/47/63/81/434476381.db2.gz BNOAHOMXLXSCFZ-LPHOPBHVSA-N 2 0 306.494 3.354 20 30 DGEDRP C[C@@H](CCN1CCC(C)(C#N)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408159910 434547025 /nfs/dbraw/zinc/54/70/25/434547025.db2.gz SGOVWLXDNOOMKF-INIZCTEOSA-N 2 0 302.466 3.016 20 30 DGEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@H](C#N)CCC#N)cc2)C1 ZINC000558751019 435110341 /nfs/dbraw/zinc/11/03/41/435110341.db2.gz YBPREWXZIYIVFD-XLIONFOSSA-N 2 0 324.472 3.452 20 30 DGEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000559071462 435120388 /nfs/dbraw/zinc/12/03/88/435120388.db2.gz CAIYONQRCBJESM-GOSISDBHSA-N 2 0 315.461 3.189 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000533469199 435238222 /nfs/dbraw/zinc/23/82/22/435238222.db2.gz NOVXEDQVFGCGSY-UHFFFAOYSA-N 2 0 302.437 3.229 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000651758564 435817643 /nfs/dbraw/zinc/81/76/43/435817643.db2.gz DZGSKHFUOKPLJR-LSTHTHJFSA-N 2 0 314.473 3.088 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786238 436045957 /nfs/dbraw/zinc/04/59/57/436045957.db2.gz QNOCHIDLQRGEAR-IBGZPJMESA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000657927958 436342943 /nfs/dbraw/zinc/34/29/43/436342943.db2.gz NICMQRKABMAXOG-GTAWCEEGSA-N 2 0 320.521 3.479 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999388 436322704 /nfs/dbraw/zinc/32/27/04/436322704.db2.gz BOBDEHCQPKDHDO-INIZCTEOSA-N 2 0 316.445 3.024 20 30 DGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136625 436385156 /nfs/dbraw/zinc/38/51/56/436385156.db2.gz DQADIZOJKUMKDV-OALUTQOASA-N 2 0 302.462 3.088 20 30 DGEDRP C=CCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658210739 436400583 /nfs/dbraw/zinc/40/05/83/436400583.db2.gz WFUYGPZYYNREDS-OWZKRDHZSA-N 2 0 314.473 3.364 20 30 DGEDRP Cc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)ccc1C#N ZINC000443996804 533705474 /nfs/dbraw/zinc/70/54/74/533705474.db2.gz KEZKJTUPTJWSOM-UHFFFAOYSA-N 2 0 311.404 3.357 20 30 DGEDRP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567604302 341619709 /nfs/dbraw/zinc/61/97/09/341619709.db2.gz NJARCGWOQHXSIP-NTDBWNAOSA-N 2 0 313.445 3.018 20 30 DGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449079118 534695515 /nfs/dbraw/zinc/69/55/15/534695515.db2.gz ZWORYJAJECARCE-QGZVFWFLSA-N 2 0 316.493 3.058 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415029053 526885629 /nfs/dbraw/zinc/88/56/29/526885629.db2.gz ZXERXFQRPRMCTE-WKILWMFISA-N 2 0 318.461 3.115 20 30 DGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290361319 527034677 /nfs/dbraw/zinc/03/46/77/527034677.db2.gz QUORSGQCPSZCKZ-CVEARBPZSA-N 2 0 305.466 3.102 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925607506 618506636 /nfs/dbraw/zinc/50/66/36/618506636.db2.gz CEQRVQJSDWVNJY-IBGZPJMESA-N 2 0 301.478 3.097 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619145 618510820 /nfs/dbraw/zinc/51/08/20/618510820.db2.gz LCOLRAOWBFTLLD-BRWVUGGUSA-N 2 0 315.461 3.363 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@]1(C)CCCCO1 ZINC000902741963 619668997 /nfs/dbraw/zinc/66/89/97/619668997.db2.gz JIQJFWJFOOCSIJ-NZSAHSFTSA-N 2 0 306.494 3.354 20 30 DGEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902835668 619682110 /nfs/dbraw/zinc/68/21/10/619682110.db2.gz MYXIJMPMEFGEMR-MRXNPFEDSA-N 2 0 314.477 3.362 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000903453528 619779203 /nfs/dbraw/zinc/77/92/03/619779203.db2.gz AMGZOOCRHFJIBM-QGZVFWFLSA-N 2 0 303.837 3.176 20 30 DGEDRP C=CCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600794 621007123 /nfs/dbraw/zinc/00/71/23/621007123.db2.gz XAOFLFLYVRVISR-IBGZPJMESA-N 2 0 317.477 3.341 20 30 DGEDRP C#CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000756995295 621677707 /nfs/dbraw/zinc/67/77/07/621677707.db2.gz FWVSNLYKTDIZEA-OAQYLSRUSA-N 2 0 322.452 3.481 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCC)CC2)cc1 ZINC000765770092 622285820 /nfs/dbraw/zinc/28/58/20/622285820.db2.gz WGDNVRFJZWDLIZ-KRWDZBQOSA-N 2 0 314.473 3.471 20 30 DGEDRP C#CCOc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000768927899 622486075 /nfs/dbraw/zinc/48/60/75/622486075.db2.gz XTVKKHOYARINES-UHFFFAOYSA-N 2 0 314.473 3.251 20 30 DGEDRP C#CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769471001 622531087 /nfs/dbraw/zinc/53/10/87/622531087.db2.gz PTIVQNQDSACYHB-AEFFLSMTSA-N 2 0 300.446 3.003 20 30 DGEDRP C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000873267320 623098122 /nfs/dbraw/zinc/09/81/22/623098122.db2.gz BWJAGNYZCQBNKC-PBPGXSGUSA-N 2 0 311.473 3.368 20 30 DGEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876726330 623690935 /nfs/dbraw/zinc/69/09/35/623690935.db2.gz YMWKGDYLWAJKQF-MRXNPFEDSA-N 2 0 321.852 3.081 20 30 DGEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000877698607 623995798 /nfs/dbraw/zinc/99/57/98/623995798.db2.gz ZCJYKQOLFRKYLC-KRWDZBQOSA-N 2 0 321.509 3.185 20 30 DGEDRP C=CC[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000879018966 624409249 /nfs/dbraw/zinc/40/92/49/624409249.db2.gz LPUPIZFAGSXZLW-QFBILLFUSA-N 2 0 317.477 3.340 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn3ccccc3c1C#N)CC2 ZINC000879247527 624463452 /nfs/dbraw/zinc/46/34/52/624463452.db2.gz CQLNUPDOYDPSPD-UHFFFAOYSA-N 2 0 322.456 3.119 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000784670342 624567746 /nfs/dbraw/zinc/56/77/46/624567746.db2.gz JLBUHSQNUUSVSQ-SFHVURJKSA-N 2 0 314.473 3.443 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000131188043 625962687 /nfs/dbraw/zinc/96/26/87/625962687.db2.gz QPZAZJSSTWBBKN-KRWDZBQOSA-N 2 0 314.473 3.470 20 30 DGEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000809781232 626951956 /nfs/dbraw/zinc/95/19/56/626951956.db2.gz KCWSOANXDBBQJC-LJQANCHMSA-N 2 0 314.473 3.299 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925079645 627706929 /nfs/dbraw/zinc/70/69/29/627706929.db2.gz YCYIAJCEDVAAHJ-ULQDDVLXSA-N 2 0 309.498 3.041 20 30 DGEDRP C=CC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926154598 627851985 /nfs/dbraw/zinc/85/19/85/627851985.db2.gz UCRRJAGFZOZTCR-XUBOLADHSA-N 2 0 314.473 3.099 20 30 DGEDRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817407441 627894044 /nfs/dbraw/zinc/89/40/44/627894044.db2.gz OOSSOTWFZBFPKI-MRXNPFEDSA-N 2 0 300.381 3.098 20 30 DGEDRP C=CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000817909362 627959392 /nfs/dbraw/zinc/95/93/92/627959392.db2.gz OKWUFBKXJKBAOY-SJORKVTESA-N 2 0 318.461 3.039 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000844924936 630988259 /nfs/dbraw/zinc/98/82/59/630988259.db2.gz NSQGRDNOBDIZPB-INIZCTEOSA-N 2 0 308.425 3.269 20 30 DGEDRP C[NH+](C)C1(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849043468 631816638 /nfs/dbraw/zinc/81/66/38/631816638.db2.gz MIQXALLSAOPMMZ-UHFFFAOYSA-N 2 0 300.450 3.035 20 30 DGEDRP CC[NH+](CC)CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849054811 631821054 /nfs/dbraw/zinc/82/10/54/631821054.db2.gz DFPUWCOKBPWZMR-UHFFFAOYSA-N 2 0 302.466 3.282 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161048370 655718004 /nfs/dbraw/zinc/71/80/04/655718004.db2.gz DEXGOOWMOSWOIJ-SZMVWBNQSA-N 2 0 300.446 3.222 20 30 DGEDRP C=CC[NH+]1CCC(/[NH+]=C\c2ccc(N(CC)CC)cc2O)CC1 ZINC000255695865 655890346 /nfs/dbraw/zinc/89/03/46/655890346.db2.gz OKBUQKVDPSVQTP-HKWRFOASSA-N 2 0 315.461 3.308 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[NH+]2CCCC2)cc1 ZINC000303787756 657563525 /nfs/dbraw/zinc/56/35/25/657563525.db2.gz STKQBDMIIQIUED-HNNXBMFYSA-N 2 0 302.466 3.413 20 30 DGEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+](C)C ZINC000303788983 657564029 /nfs/dbraw/zinc/56/40/29/657564029.db2.gz UWXXWROMJJHHAR-KRWDZBQOSA-N 2 0 304.482 3.396 20 30 DGEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000303786400 657564321 /nfs/dbraw/zinc/56/43/21/657564321.db2.gz RIXCOTZOUPUBPG-GOSISDBHSA-N 2 0 314.477 3.022 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000303880992 657571227 /nfs/dbraw/zinc/57/12/27/657571227.db2.gz HHEBPFOXRRKHFI-LSDHHAIUSA-N 2 0 314.477 3.411 20 30 DGEDRP CCc1ccc(NC(=[NH2+])NCCN(C)Cc2ccccc2)cc1 ZINC000303883205 657571424 /nfs/dbraw/zinc/57/14/24/657571424.db2.gz MAGNSQFZODKNFJ-UHFFFAOYSA-N 2 0 310.445 3.108 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000303882710 657571901 /nfs/dbraw/zinc/57/19/01/657571901.db2.gz IIISFKROFIPHLR-HZPDHXFCSA-N 2 0 302.466 3.293 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303981352 657583759 /nfs/dbraw/zinc/58/37/59/657583759.db2.gz OZPNIYLGSCHPPM-CYBMUJFWSA-N 2 0 302.466 3.021 20 30 DGEDRP CC(C)[NH+](CCNC(=[NH2+])Nc1cccc2c1CCCC2)C(C)C ZINC000304648196 657641003 /nfs/dbraw/zinc/64/10/03/657641003.db2.gz FVLVBXGMIBACLB-UHFFFAOYSA-N 2 0 316.493 3.411 20 30 DGEDRP CCCNC(=[NH2+])NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000304743131 657645845 /nfs/dbraw/zinc/64/58/45/657645845.db2.gz CYSBEHWKVHLTTO-HNNXBMFYSA-N 2 0 304.482 3.210 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)cc1C ZINC000305797717 657737004 /nfs/dbraw/zinc/73/70/04/657737004.db2.gz BKUONTQJWLLNND-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000237497132 658718081 /nfs/dbraw/zinc/71/80/81/658718081.db2.gz QNTAANCJDLEGJX-SFHVURJKSA-N 2 0 314.473 3.300 20 30 DGEDRP CCC[NH+]1CCC([N@H+](C)CCCOc2ccc(C#N)cc2)CC1 ZINC000171931161 659306115 /nfs/dbraw/zinc/30/61/15/659306115.db2.gz SNMIRYLTTUQCCM-UHFFFAOYSA-N 2 0 315.461 3.133 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538158 659904720 /nfs/dbraw/zinc/90/47/20/659904720.db2.gz ICTJXRBYBOAEHK-GOSISDBHSA-N 2 0 314.473 3.300 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000237538908 659906402 /nfs/dbraw/zinc/90/64/02/659906402.db2.gz QNTAANCJDLEGJX-GOSISDBHSA-N 2 0 314.473 3.300 20 30 DGEDRP N#CC1(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCCCC1 ZINC001580037937 1192003884 /nfs/dbraw/zinc/00/38/84/1192003884.db2.gz AXVHNEIABROOAU-ROUUACIJSA-N 2 0 319.493 3.069 20 30 DGEDRP N#CC1(CC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCCCC1 ZINC001580038818 1192004309 /nfs/dbraw/zinc/00/43/09/1192004309.db2.gz TXMPVCDGDOOLHQ-BZSNNMDCSA-N 2 0 319.493 3.069 20 30 DGEDRP N#Cc1cc(C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)ccc1F ZINC001580060734 1192005350 /nfs/dbraw/zinc/00/53/50/1192005350.db2.gz DLPYOYDSELGTSW-GOSISDBHSA-N 2 0 313.420 3.051 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC001560296364 1189307146 /nfs/dbraw/zinc/30/71/46/1189307146.db2.gz NJOHRUOAUDCWHM-AEFFLSMTSA-N 2 0 302.462 3.461 20 30 DGEDRP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001560514805 1189334540 /nfs/dbraw/zinc/33/45/40/1189334540.db2.gz XIMGMFHWAQUYGV-RTWAWAEBSA-N 2 0 304.437 3.103 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001574907497 1191457704 /nfs/dbraw/zinc/45/77/04/1191457704.db2.gz OAKKOCAJAQITMC-SFHVURJKSA-N 2 0 315.505 3.316 20 30 DGEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001654838721 1195846818 /nfs/dbraw/zinc/84/68/18/1195846818.db2.gz YECFYFGNLOPPCY-KRWDZBQOSA-N 2 0 312.461 3.456 20 30 DGEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCOc1ccccc1C#N ZINC001655433198 1195916305 /nfs/dbraw/zinc/91/63/05/1195916305.db2.gz HJSHMSUTJMHPTE-UHFFFAOYSA-N 2 0 315.461 3.135 20 30 DGEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001659424519 1196381700 /nfs/dbraw/zinc/38/17/00/1196381700.db2.gz DYEWQOJYQAQNJJ-WOJBJXKFSA-N 2 0 316.489 3.478 20 30 DGEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001691753730 1198199468 /nfs/dbraw/zinc/19/94/68/1198199468.db2.gz BMTYSNRJDALMFH-GOSISDBHSA-N 2 0 323.525 3.042 20 30 DGEDRP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000237334763 1202671280 /nfs/dbraw/zinc/67/12/80/1202671280.db2.gz WZMIQSXEZBIXMN-KKXNLOMOSA-N 2 0 311.473 3.322 20 30 DGEDRP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001725242216 1204126258 /nfs/dbraw/zinc/12/62/58/1204126258.db2.gz NQQINKVHLNRADE-MSOLQXFVSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731567697 1204465582 /nfs/dbraw/zinc/46/55/82/1204465582.db2.gz CDIPMLDCFZZEKH-ABHNRTSZSA-N 2 0 323.525 3.068 20 30 DGEDRP C#CCCC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001209265757 1081703671 /nfs/dbraw/zinc/70/36/71/1081703671.db2.gz HROLKOPMIGTPHO-IHPCNDPISA-N 2 0 311.473 3.027 20 30 DGEDRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170396063 1082359954 /nfs/dbraw/zinc/35/99/54/1082359954.db2.gz ULNIUPMTSVANKH-KBWCOIMZSA-N 2 0 323.484 3.418 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627559 1082621921 /nfs/dbraw/zinc/62/19/21/1082621921.db2.gz PLOBCLUFWYZHJG-GOSISDBHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170751824 1083291879 /nfs/dbraw/zinc/29/18/79/1083291879.db2.gz VYPTWPSPEVBGAK-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612773 1083312068 /nfs/dbraw/zinc/31/20/68/1083312068.db2.gz PWDQUGQEXMEKNX-SJORKVTESA-N 2 0 323.525 3.090 20 30 DGEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187034564 1084749250 /nfs/dbraw/zinc/74/92/50/1084749250.db2.gz IYQLQZPXJFOKEU-GOSISDBHSA-N 2 0 323.525 3.045 20 30 DGEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029979 1086453267 /nfs/dbraw/zinc/45/32/67/1086453267.db2.gz LFPWRMKJGOVEML-ZWKOTPCHSA-N 2 0 323.525 3.070 20 30 DGEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464764 1088618214 /nfs/dbraw/zinc/61/82/14/1088618214.db2.gz WXYBCDAJLSUESZ-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001162481115 1089755263 /nfs/dbraw/zinc/75/52/63/1089755263.db2.gz ILRROTKCSLSWOS-SZMVWBNQSA-N 2 0 303.425 3.121 20 30 DGEDRP N#Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757660 1090797124 /nfs/dbraw/zinc/79/71/24/1090797124.db2.gz NEAXQPMSWCBXLA-HDICACEKSA-N 2 0 323.465 3.184 20 30 DGEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)c(Cl)c3)(C1)CCC2 ZINC001276435106 1090866466 /nfs/dbraw/zinc/86/64/66/1090866466.db2.gz HQKSOYXSLYGYDH-DLBZAZTESA-N 2 0 303.837 3.366 20 30 DGEDRP CCCCCCC/C=C/C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276457935 1090954734 /nfs/dbraw/zinc/95/47/34/1090954734.db2.gz UXOMUFPEEKETJH-ZHACJKMWSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC001206373078 1091603465 /nfs/dbraw/zinc/60/34/65/1091603465.db2.gz IKNYMEAGCKSJRR-HXUWFJFHSA-N 2 0 324.472 3.435 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206591559 1091681234 /nfs/dbraw/zinc/68/12/34/1091681234.db2.gz SVHWXOGUTGJYQZ-GOSISDBHSA-N 2 0 300.446 3.051 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)CC1 ZINC001139875201 1091699337 /nfs/dbraw/zinc/69/93/37/1091699337.db2.gz KRTFLHCCBGOYQJ-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208864037 1092550316 /nfs/dbraw/zinc/55/03/16/1092550316.db2.gz HMXWVPPFGGAIHW-UHFFFAOYSA-N 2 0 311.473 3.299 20 30 DGEDRP C=CCCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001209439401 1092774286 /nfs/dbraw/zinc/77/42/86/1092774286.db2.gz OFXNUSCIUFGLEF-UHFFFAOYSA-N 2 0 307.526 3.225 20 30 DGEDRP C=CCCCCCCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209445344 1092776875 /nfs/dbraw/zinc/77/68/75/1092776875.db2.gz IXMQBTCAJUGALU-UHFFFAOYSA-N 2 0 309.542 3.472 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1O ZINC001276685081 1093182952 /nfs/dbraw/zinc/18/29/52/1093182952.db2.gz SHHFGKAGVXEINN-UHFFFAOYSA-N 2 0 300.446 3.038 20 30 DGEDRP C[C@@H]1C[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001217786101 1094495112 /nfs/dbraw/zinc/49/51/12/1094495112.db2.gz WKULFHDDEBTDEN-IAGOWNOFSA-N 2 0 314.474 3.490 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474391 1094544606 /nfs/dbraw/zinc/54/46/06/1094544606.db2.gz OYOUSXQWIBNRLG-KRWDZBQOSA-N 2 0 313.530 3.029 20 30 DGEDRP CCCCCCCC[C@H](CCC)[NH2+]CCOCCOCC[NH3+] ZINC001246285737 1095166786 /nfs/dbraw/zinc/16/67/86/1095166786.db2.gz VCYRAOAMBNYOFH-SFHVURJKSA-N 2 0 316.530 3.487 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171122311 1095439128 /nfs/dbraw/zinc/43/91/28/1095439128.db2.gz YFSJCVZKZVSMPJ-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001171229460 1095858410 /nfs/dbraw/zinc/85/84/10/1095858410.db2.gz NQFPQZUINIVFQJ-QGZVFWFLSA-N 2 0 311.473 3.297 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340107505 1095864807 /nfs/dbraw/zinc/86/48/07/1095864807.db2.gz YRPQZGLNMXHJLR-ULQDDVLXSA-N 2 0 311.514 3.005 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702681 1096084900 /nfs/dbraw/zinc/08/49/00/1096084900.db2.gz ZGVOUZNENFGQTH-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001119090756 1096133357 /nfs/dbraw/zinc/13/33/57/1096133357.db2.gz MKEMODJLSXWGFD-QNGMFEMESA-N 2 0 319.452 3.160 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)C2 ZINC001172108743 1097054940 /nfs/dbraw/zinc/05/49/40/1097054940.db2.gz DQDCHQVPSLFTQP-MUJYYYPQSA-N 2 0 303.837 3.317 20 30 DGEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559393 1097141449 /nfs/dbraw/zinc/14/14/49/1097141449.db2.gz QXQLEUNPUOHJOB-KZNAEPCWSA-N 2 0 323.525 3.090 20 30 DGEDRP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172494364 1097168848 /nfs/dbraw/zinc/16/88/48/1097168848.db2.gz ZTGAIVZCSVNCLS-HNNXBMFYSA-N 2 0 301.434 3.027 20 30 DGEDRP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206165849 1097187890 /nfs/dbraw/zinc/18/78/90/1097187890.db2.gz PIDVOYYRWMEBEP-LEWJYISDSA-N 2 0 322.427 3.348 20 30 DGEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001173103682 1097330294 /nfs/dbraw/zinc/33/02/94/1097330294.db2.gz ONGISZBHHDYWCC-UHFFFAOYSA-N 2 0 308.857 3.093 20 30 DGEDRP C=CCOC1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC001173316638 1097427887 /nfs/dbraw/zinc/42/78/87/1097427887.db2.gz AOCCVTRHFNLMMB-UHFFFAOYSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCCCCC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230091351 1097444467 /nfs/dbraw/zinc/44/44/67/1097444467.db2.gz WINGYHKEPOXMCL-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176813754 1098438997 /nfs/dbraw/zinc/43/89/97/1098438997.db2.gz BPKLFQGGIYCFSY-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235103726 1098802546 /nfs/dbraw/zinc/80/25/46/1098802546.db2.gz KBLDFKIYNIXZBQ-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP N#Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235153218 1098840366 /nfs/dbraw/zinc/84/03/66/1098840366.db2.gz QWDQPSHDFYJDGO-HXUWFJFHSA-N 2 0 311.473 3.345 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189774 1098868491 /nfs/dbraw/zinc/86/84/91/1098868491.db2.gz BCSWZDKOQLZRFZ-UHFFFAOYSA-N 2 0 300.446 3.360 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425550 1099018164 /nfs/dbraw/zinc/01/81/64/1099018164.db2.gz LVSACYOOLHJIAV-PMACEKPBSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235425440 1099019978 /nfs/dbraw/zinc/01/99/78/1099019978.db2.gz JGCURVPVOOZVGO-IAGOWNOFSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426753 1099020758 /nfs/dbraw/zinc/02/07/58/1099020758.db2.gz LDAWFQXWTDCDOJ-HOTGVXAUSA-N 2 0 317.864 3.423 20 30 DGEDRP N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428497 1099021614 /nfs/dbraw/zinc/02/16/14/1099021614.db2.gz QKBSOAMUCGHGBX-HUUCEWRRSA-N 2 0 317.864 3.423 20 30 DGEDRP [NH3+]C[C@@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235677225 1099120590 /nfs/dbraw/zinc/12/05/90/1099120590.db2.gz ZBGSDQLZSSJWPX-KRWDZBQOSA-N 2 0 310.466 3.319 20 30 DGEDRP [NH3+]C[C@H]1CCCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235677226 1099120745 /nfs/dbraw/zinc/12/07/45/1099120745.db2.gz ZBGSDQLZSSJWPX-QGZVFWFLSA-N 2 0 310.466 3.319 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC001235788503 1099180453 /nfs/dbraw/zinc/18/04/53/1099180453.db2.gz HHYJWXYOIDYOAA-UHFFFAOYSA-N 2 0 319.452 3.472 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179746040 1099198107 /nfs/dbraw/zinc/19/81/07/1099198107.db2.gz MIDUMPMMWCIAGA-GOSISDBHSA-N 2 0 323.525 3.093 20 30 DGEDRP C(#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1)c1ccccc1 ZINC001235935189 1099268770 /nfs/dbraw/zinc/26/87/70/1099268770.db2.gz CWHBDLJYQWUIBW-FGZHOGPDSA-N 2 0 316.448 3.128 20 30 DGEDRP C(#Cc1ccccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235937574 1099273488 /nfs/dbraw/zinc/27/34/88/1099273488.db2.gz IYYCOIFVHXLAMM-YADHBBJMSA-N 2 0 316.448 3.128 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180357647 1099381628 /nfs/dbraw/zinc/38/16/28/1099381628.db2.gz ZGUMSGJQZLDTNB-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365932 1099398533 /nfs/dbraw/zinc/39/85/33/1099398533.db2.gz ORKZSNSKWIOMNB-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP N#Cc1cc(F)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374035 1099561855 /nfs/dbraw/zinc/56/18/55/1099561855.db2.gz OHGHCLCNHILQBN-OAHLLOKOSA-N 2 0 315.436 3.442 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001188138713 1099695086 /nfs/dbraw/zinc/69/50/86/1099695086.db2.gz ACEZPSSXAPOFBM-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP C=CCCCCCCCC[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236616412 1099707815 /nfs/dbraw/zinc/70/78/15/1099707815.db2.gz MURFIFGGMGEKHU-SFHVURJKSA-N 2 0 307.526 3.401 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]12 ZINC001236821489 1099805759 /nfs/dbraw/zinc/80/57/59/1099805759.db2.gz VCQRNQPVEXRXDD-FDFHNCONSA-N 2 0 316.448 3.256 20 30 DGEDRP CC#Cc1cncc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)c1 ZINC001242941491 1102431288 /nfs/dbraw/zinc/43/12/88/1102431288.db2.gz LSRQGOGKBLAUQX-UHFFFAOYSA-N 2 0 319.452 3.291 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037280 1103022261 /nfs/dbraw/zinc/02/22/61/1103022261.db2.gz UQGYTOVTXYNCKB-BDXSIMOUSA-N 2 0 323.525 3.019 20 30 DGEDRP CCCCCCC[C@H](C)[NH2+]CCCOCCOCCC[NH3+] ZINC001258039111 1103117503 /nfs/dbraw/zinc/11/75/03/1103117503.db2.gz KSRNTSJTFLNGII-KRWDZBQOSA-N 2 0 302.503 3.097 20 30 DGEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202474211 1103321058 /nfs/dbraw/zinc/32/10/58/1103321058.db2.gz XGNJBCFMXOUHTQ-AEFFLSMTSA-N 2 0 323.525 3.042 20 30 DGEDRP N#Cc1cccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1F ZINC001245071873 1103841851 /nfs/dbraw/zinc/84/18/51/1103841851.db2.gz ZTKOEPAWINWXQY-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245979000 1104345534 /nfs/dbraw/zinc/34/55/34/1104345534.db2.gz RFMHIMXNCHINGH-YRXWBPOGSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001245982722 1104345583 /nfs/dbraw/zinc/34/55/83/1104345583.db2.gz JKJXFWDGBRXVLL-FCGDIQPGSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001245982064 1104345792 /nfs/dbraw/zinc/34/57/92/1104345792.db2.gz JOPXLCYKESKCGG-LSDHHAIUSA-N 2 0 324.431 3.230 20 30 DGEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]CCOCC[NH3+] ZINC001246010425 1104353120 /nfs/dbraw/zinc/35/31/20/1104353120.db2.gz MJMNMNNHYUKRAL-GOSISDBHSA-N 2 0 316.530 3.223 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H](C1CC1)C1C[NH2+]C1 ZINC001246018463 1104353690 /nfs/dbraw/zinc/35/36/90/1104353690.db2.gz FUKJWIHMPYPPKI-RBUKOAKNSA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088033 1104377194 /nfs/dbraw/zinc/37/71/94/1104377194.db2.gz HRXDAQFRTYGPKA-IXDOHACOSA-N 2 0 302.478 3.168 20 30 DGEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246088034 1104379149 /nfs/dbraw/zinc/37/91/49/1104379149.db2.gz HRXDAQFRTYGPKA-YESZJQIVSA-N 2 0 302.478 3.168 20 30 DGEDRP CCCCCCC[C@@H](CC)[NH2+]CC1(C(=O)OC)CC[NH2+]CC1 ZINC001246099150 1104384087 /nfs/dbraw/zinc/38/40/87/1104384087.db2.gz WGHGKMJVRPCXOI-MRXNPFEDSA-N 2 0 312.498 3.258 20 30 DGEDRP CCCCCCC[C@H](CC)[NH2+]C1(CC(=O)OC)CC[NH2+]CC1 ZINC001246366088 1104511836 /nfs/dbraw/zinc/51/18/36/1104511836.db2.gz QGXSIIDTYUJISH-INIZCTEOSA-N 2 0 312.498 3.400 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246663159 1104654786 /nfs/dbraw/zinc/65/47/86/1104654786.db2.gz XAVTZGLPVQNHDK-OXJNMPFZSA-N 2 0 311.473 3.343 20 30 DGEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246768719 1104667723 /nfs/dbraw/zinc/66/77/23/1104667723.db2.gz GVLQLWAYDPOPHW-NHCUHLMSSA-N 2 0 319.452 3.353 20 30 DGEDRP CC[C@@H]1C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811820 1104686974 /nfs/dbraw/zinc/68/69/74/1104686974.db2.gz RIKCVQZKSQEJGV-WOJBJXKFSA-N 2 0 311.473 3.343 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001246894222 1104726155 /nfs/dbraw/zinc/72/61/55/1104726155.db2.gz MHQOAPUDAZHTRJ-SFHVURJKSA-N 2 0 309.542 3.351 20 30 DGEDRP C=CCCCCCCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276042951 1105004677 /nfs/dbraw/zinc/00/46/77/1105004677.db2.gz MRSAHTJYUMXHTH-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276091720 1105014617 /nfs/dbraw/zinc/01/46/17/1105014617.db2.gz YIKDJCFKNXPHRE-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252134839 1105748184 /nfs/dbraw/zinc/74/81/84/1105748184.db2.gz ZKIKXYJARNIHSF-CEXWTWQISA-N 2 0 310.526 3.372 20 30 DGEDRP C[C@@H](C[NH3+])C[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349907 1106057737 /nfs/dbraw/zinc/05/77/37/1106057737.db2.gz VNTUNYULBZILJM-NNGSBXSVSA-N 2 0 303.425 3.056 20 30 DGEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673741 1106130646 /nfs/dbraw/zinc/13/06/46/1106130646.db2.gz OFHICNDNPFVDSC-FYQPLNBISA-N 2 0 309.457 3.133 20 30 DGEDRP CC[C@@H](CC#N)[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001255170921 1106198751 /nfs/dbraw/zinc/19/87/51/1106198751.db2.gz ZQWDFXODRSDEON-KRWDZBQOSA-N 2 0 301.434 3.260 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC001256371160 1106411945 /nfs/dbraw/zinc/41/19/45/1106411945.db2.gz GQBARFVOHJTMRL-IBGZPJMESA-N 2 0 307.526 3.103 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC001258293165 1106711511 /nfs/dbraw/zinc/71/15/11/1106711511.db2.gz JUSBMXKPNRDTQN-IBGZPJMESA-N 2 0 319.537 3.247 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001316978389 1106841555 /nfs/dbraw/zinc/84/15/55/1106841555.db2.gz WLTPOQWJVPVWNO-ROUUACIJSA-N 2 0 323.525 3.020 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001261672824 1107500713 /nfs/dbraw/zinc/50/07/13/1107500713.db2.gz DNFPDZXKBVKIRW-KMFTYDHNSA-N 2 0 323.484 3.322 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001264705473 1108628034 /nfs/dbraw/zinc/62/80/34/1108628034.db2.gz RTEHLACAPGJNOI-SJORKVTESA-N 2 0 323.525 3.020 20 30 DGEDRP CC(C)C[N@@H+](Cc1ccc(C#N)cc1F)CC1CC[NH+](C)CC1 ZINC001308911122 1111491958 /nfs/dbraw/zinc/49/19/58/1111491958.db2.gz XCEGLMLXOQMQST-UHFFFAOYSA-N 2 0 317.452 3.497 20 30 DGEDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000181627112 199329424 /nfs/dbraw/zinc/32/94/24/199329424.db2.gz IWGBUMRKGIMLDW-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000277027273 213247644 /nfs/dbraw/zinc/24/76/44/213247644.db2.gz KNGQUFFTIMKVLA-UHFFFAOYSA-N 2 0 310.445 3.028 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297613926 283066800 /nfs/dbraw/zinc/06/68/00/283066800.db2.gz KVBOZIKNQYKSKL-JKSUJKDBSA-N 2 0 306.413 3.049 20 30 DGEDRP N#Cc1csc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180275956 432083023 /nfs/dbraw/zinc/08/30/23/432083023.db2.gz YOIUSNGYXZKJLJ-UHFFFAOYSA-N 2 0 312.442 3.021 20 30 DGEDRP Cc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1C#N ZINC000488149101 245154197 /nfs/dbraw/zinc/15/41/97/245154197.db2.gz KTJPMCKURAFVSB-MRXNPFEDSA-N 2 0 308.429 3.055 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181616469 432139217 /nfs/dbraw/zinc/13/92/17/432139217.db2.gz MXAPHMMMCURAHM-BBWFWOEESA-N 2 0 315.461 3.098 20 30 DGEDRP N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246552268 432144430 /nfs/dbraw/zinc/14/44/30/432144430.db2.gz KKVVMJKTTJOJOS-LPHOPBHVSA-N 2 0 313.420 3.146 20 30 DGEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151368644 196671474 /nfs/dbraw/zinc/67/14/74/196671474.db2.gz HWBUHBOKXVKDFN-INIZCTEOSA-N 2 0 323.440 3.349 20 30 DGEDRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595105748 400107883 /nfs/dbraw/zinc/10/78/83/400107883.db2.gz XXBCJWNODAJQBU-CQSZACIVSA-N 2 0 315.436 3.470 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000609133590 400142265 /nfs/dbraw/zinc/14/22/65/400142265.db2.gz WWPDGAMFWCLSNT-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP N#CC[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621729 400210386 /nfs/dbraw/zinc/21/03/86/400210386.db2.gz XXRONKJYXPBWOD-ROUUACIJSA-N 2 0 302.466 3.018 20 30 DGEDRP CC(C)[NH+](CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000602569827 400499651 /nfs/dbraw/zinc/49/96/51/400499651.db2.gz SSDMYNRNMZWZNM-KRWDZBQOSA-N 2 0 309.498 3.184 20 30 DGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602512758 400483902 /nfs/dbraw/zinc/48/39/02/400483902.db2.gz NBPULXNLSPQWTB-UHFFFAOYSA-N 2 0 308.429 3.085 20 30 DGEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602520267 400487300 /nfs/dbraw/zinc/48/73/00/400487300.db2.gz MHSVKGLKQXVINX-UHFFFAOYSA-N 2 0 308.429 3.085 20 30 DGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012099 400538610 /nfs/dbraw/zinc/53/86/10/400538610.db2.gz KZEQVRXVRCTJTK-LPHOPBHVSA-N 2 0 311.473 3.404 20 30 DGEDRP Cc1ccnc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593514980 400868899 /nfs/dbraw/zinc/86/88/99/400868899.db2.gz IUDOOHTVYQJKOM-UHFFFAOYSA-N 2 0 306.413 3.338 20 30 DGEDRP C=CCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181632334 400890225 /nfs/dbraw/zinc/89/02/25/400890225.db2.gz OCWWQWZLSJAANR-HNNXBMFYSA-N 2 0 305.441 3.194 20 30 DGEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000151320593 227059445 /nfs/dbraw/zinc/05/94/45/227059445.db2.gz WSONVNCTUQMXRP-JXFKEZNVSA-N 2 0 305.425 3.311 20 30 DGEDRP CSC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC[NH+](C)CC1 ZINC000353660817 265501041 /nfs/dbraw/zinc/50/10/41/265501041.db2.gz OSWVQWYFMIJPMW-AWEZNQCLSA-N 2 0 303.475 3.036 20 30 DGEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000350328142 266115077 /nfs/dbraw/zinc/11/50/77/266115077.db2.gz MQPZJYVVLDYOOF-APWZRJJASA-N 2 0 315.461 3.052 20 30 DGEDRP N#CCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000074990242 431446982 /nfs/dbraw/zinc/44/69/82/431446982.db2.gz CTASHSQKNHFXEU-QGZVFWFLSA-N 2 0 309.523 3.221 20 30 DGEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000126496157 431951114 /nfs/dbraw/zinc/95/11/14/431951114.db2.gz MZGNMSIEUVFTBP-HXUWFJFHSA-N 2 0 316.489 3.158 20 30 DGEDRP C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689345 432523873 /nfs/dbraw/zinc/52/38/73/432523873.db2.gz UOWFBMCJXVGGNE-GOEBONIOSA-N 2 0 315.436 3.440 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268066166 432841937 /nfs/dbraw/zinc/84/19/37/432841937.db2.gz HLCJFJNGPYUENT-MRXNPFEDSA-N 2 0 302.466 3.008 20 30 DGEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288775663 432897518 /nfs/dbraw/zinc/89/75/18/432897518.db2.gz VPOSJCUSYLGRRC-CYBMUJFWSA-N 2 0 324.419 3.204 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000293002875 433608279 /nfs/dbraw/zinc/60/82/79/433608279.db2.gz PAALNDHDERDTCM-HXUWFJFHSA-N 2 0 311.473 3.405 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000377628147 433934643 /nfs/dbraw/zinc/93/46/43/433934643.db2.gz OEBJJJSKISSQQD-NAZJXLNTSA-N 2 0 313.445 3.034 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000404602392 293872009 /nfs/dbraw/zinc/87/20/09/293872009.db2.gz JIRRJGXNGBNBDW-RYQLBKOJSA-N 2 0 301.409 3.098 20 30 DGEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422903598 434098360 /nfs/dbraw/zinc/09/83/60/434098360.db2.gz FTKHJVSBFYAEDA-OKZBNKHCSA-N 2 0 300.446 3.262 20 30 DGEDRP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000285978764 434123950 /nfs/dbraw/zinc/12/39/50/434123950.db2.gz HMUJJYQFSBSNOK-ROUUACIJSA-N 2 0 319.493 3.150 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423109438 434222549 /nfs/dbraw/zinc/22/25/49/434222549.db2.gz SNKFKSRHYNDXBZ-AWEZNQCLSA-N 2 0 311.429 3.264 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000404602377 434516483 /nfs/dbraw/zinc/51/64/83/434516483.db2.gz JIRRJGXNGBNBDW-BPQIPLTHSA-N 2 0 301.409 3.098 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000565331447 435276786 /nfs/dbraw/zinc/27/67/86/435276786.db2.gz HQQIMJFLGKBEJN-HKUYNNGSSA-N 2 0 300.446 3.168 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812714 435835308 /nfs/dbraw/zinc/83/53/08/435835308.db2.gz IXCWWJPDUFHYSK-SJLPKXTDSA-N 2 0 317.477 3.247 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812713 435835652 /nfs/dbraw/zinc/83/56/52/435835652.db2.gz IXCWWJPDUFHYSK-FUHWJXTLSA-N 2 0 317.477 3.247 20 30 DGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661114991 435969163 /nfs/dbraw/zinc/96/91/63/435969163.db2.gz NYXHCXXQFMSXJQ-MOPGFXCFSA-N 2 0 307.526 3.127 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543526 436078481 /nfs/dbraw/zinc/07/84/81/436078481.db2.gz OUJHMMDCZARHED-OALUTQOASA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537141 436238454 /nfs/dbraw/zinc/23/84/54/436238454.db2.gz AAYLYYHLKHPXLP-WMZOPIPTSA-N 2 0 306.494 3.212 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000293564451 334199216 /nfs/dbraw/zinc/19/92/16/334199216.db2.gz MJSGHNQLUDQTGF-AQNXPRMDSA-N 2 0 309.457 3.277 20 30 DGEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246032444 341322501 /nfs/dbraw/zinc/32/25/01/341322501.db2.gz NUBLKGODVCDIQJ-MJGOQNOKSA-N 2 0 308.510 3.290 20 30 DGEDRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000183207602 533810896 /nfs/dbraw/zinc/81/08/96/533810896.db2.gz SUIVMOSQUGKNHS-HNNXBMFYSA-N 2 0 313.445 3.114 20 30 DGEDRP C=CCOCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000339058570 526771672 /nfs/dbraw/zinc/77/16/72/526771672.db2.gz WAMQWQSPGOUDEN-UHFFFAOYSA-N 2 0 314.473 3.177 20 30 DGEDRP C=CCc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435395714 527236822 /nfs/dbraw/zinc/23/68/22/527236822.db2.gz UXKVPCRZEYUHPD-QGZVFWFLSA-N 2 0 318.461 3.093 20 30 DGEDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181823115 528969423 /nfs/dbraw/zinc/96/94/23/528969423.db2.gz OMUVTHWXJXWAAC-MRXNPFEDSA-N 2 0 315.461 3.362 20 30 DGEDRP N#Cc1cccc(C2([NH2+]CCCCCCC[NH3+])CCOCC2)c1 ZINC000852760254 620646666 /nfs/dbraw/zinc/64/66/66/620646666.db2.gz XCZCHIRLQDXSJP-UHFFFAOYSA-N 2 0 315.461 3.063 20 30 DGEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361907 619627321 /nfs/dbraw/zinc/62/73/21/619627321.db2.gz OCNXSPHWQWNYRH-DLBZAZTESA-N 2 0 315.461 3.235 20 30 DGEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000902362742 619627427 /nfs/dbraw/zinc/62/74/27/619627427.db2.gz ZFEDVDGMSOOTAI-KRWDZBQOSA-N 2 0 317.502 3.159 20 30 DGEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746879 619669355 /nfs/dbraw/zinc/66/93/55/619669355.db2.gz ADOBGPCGKBAAGH-BBWFWOEESA-N 2 0 314.477 3.362 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CCC1 ZINC000903769043 619809958 /nfs/dbraw/zinc/80/99/58/619809958.db2.gz YEBDYCYSWVGWBE-KZNAEPCWSA-N 2 0 319.493 3.211 20 30 DGEDRP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888416 619826465 /nfs/dbraw/zinc/82/64/65/619826465.db2.gz BPOOYVKPYWXGNI-ALOPSCKCSA-N 2 0 315.417 3.113 20 30 DGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921543165 620905454 /nfs/dbraw/zinc/90/54/54/620905454.db2.gz OUDLGBIDAWHMTJ-HUUCEWRRSA-N 2 0 305.491 3.467 20 30 DGEDRP C=C(CC)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604185 621006919 /nfs/dbraw/zinc/00/69/19/621006919.db2.gz SWEGQMSXEDRQGS-IBGZPJMESA-N 2 0 317.477 3.341 20 30 DGEDRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1C#N ZINC000922846919 621108050 /nfs/dbraw/zinc/10/80/50/621108050.db2.gz HFBSQSXOPRDLDV-UHFFFAOYSA-N 2 0 313.445 3.063 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765782 621991620 /nfs/dbraw/zinc/99/16/20/621991620.db2.gz MAHOCLUZPBNHFY-UHFFFAOYSA-N 2 0 300.446 3.051 20 30 DGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866259541 622078112 /nfs/dbraw/zinc/07/81/12/622078112.db2.gz CIURZOLSWIOAIW-CABCVRRESA-N 2 0 301.434 3.035 20 30 DGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155984 622837353 /nfs/dbraw/zinc/83/73/53/622837353.db2.gz BXDBSGAMXKHWMM-KDOFPFPSSA-N 2 0 301.434 3.271 20 30 DGEDRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234991 623086080 /nfs/dbraw/zinc/08/60/80/623086080.db2.gz JQIQFRBCDLXSBA-APWZRJJASA-N 2 0 323.440 3.200 20 30 DGEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261232 624874566 /nfs/dbraw/zinc/87/45/66/624874566.db2.gz HQLVKYIQQZFKNX-CVEARBPZSA-N 2 0 306.413 3.225 20 30 DGEDRP CN(CCCC[NH+]1CCCCC1)Cc1cccc(F)c1C#N ZINC000880517171 624971177 /nfs/dbraw/zinc/97/11/77/624971177.db2.gz KLNBIUOXDQNTHQ-UHFFFAOYSA-N 2 0 303.425 3.395 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000791011665 625737133 /nfs/dbraw/zinc/73/71/33/625737133.db2.gz VHLPJPICQBDAGE-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP C=CCC[C@H]([NH2+]CCn1ccnc1C)[C@@H]1Cc2ccccc2O1 ZINC000883183233 625957859 /nfs/dbraw/zinc/95/78/59/625957859.db2.gz WMLXMLKVAPPFBJ-HKUYNNGSSA-N 2 0 311.429 3.120 20 30 DGEDRP C#CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809767116 626949172 /nfs/dbraw/zinc/94/91/72/626949172.db2.gz GJDLZFRUYOEVLQ-ICSRJNTNSA-N 2 0 312.457 3.005 20 30 DGEDRP CN(c1ccccc1C=[NH+]OC/C=C\Cl)C1CC[NH+](C)CC1 ZINC000811668930 627304298 /nfs/dbraw/zinc/30/42/98/627304298.db2.gz WAQRARONZCQRDE-OMBXLXHOSA-N 2 0 321.852 3.320 20 30 DGEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000104162670 627411408 /nfs/dbraw/zinc/41/14/08/627411408.db2.gz JQLYBPQZWBNDHY-UHFFFAOYSA-N 2 0 316.493 3.121 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000817971408 627979626 /nfs/dbraw/zinc/97/96/26/627979626.db2.gz LYHPZNIBYAVONJ-IFIJOSMWSA-N 2 0 308.853 3.467 20 30 DGEDRP CN(CCC#N)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824913632 628705872 /nfs/dbraw/zinc/70/58/72/628705872.db2.gz CVQNINVNHYESID-UHFFFAOYSA-N 2 0 316.493 3.246 20 30 DGEDRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000844924919 630987970 /nfs/dbraw/zinc/98/79/70/630987970.db2.gz NJIPHTNVKUPIGZ-OAHLLOKOSA-N 2 0 309.413 3.159 20 30 DGEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1 ZINC000057887371 660443560 /nfs/dbraw/zinc/44/35/60/660443560.db2.gz QDXAUXSRKUMJAD-UHFFFAOYSA-N 2 0 308.429 3.209 20 30 DGEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000236700285 656204016 /nfs/dbraw/zinc/20/40/16/656204016.db2.gz KZKBRFBEWVTOTG-UHFFFAOYSA-N 2 0 314.473 3.300 20 30 DGEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236788312 656456078 /nfs/dbraw/zinc/45/60/78/656456078.db2.gz VHRTYMFRCWMDCT-GOSISDBHSA-N 2 0 315.461 3.191 20 30 DGEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCCC1 ZINC000262328418 657510276 /nfs/dbraw/zinc/51/02/76/657510276.db2.gz XLORAXGXNVMUPU-INIZCTEOSA-N 2 0 324.419 3.202 20 30 DGEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303262438 657526408 /nfs/dbraw/zinc/52/64/08/657526408.db2.gz PTWAUUUSBLHWIM-HOTGVXAUSA-N 2 0 316.493 3.121 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303769837 657561117 /nfs/dbraw/zinc/56/11/17/657561117.db2.gz BFDAPHSAKUTRDU-INIZCTEOSA-N 2 0 316.493 3.218 20 30 DGEDRP c1ccc(NC(=[NH+]CCC[NH+]2CCCC2)N2CCCCC2)cc1 ZINC000303781400 657562220 /nfs/dbraw/zinc/56/22/20/657562220.db2.gz MCYKBZGEXZPNGD-UHFFFAOYSA-N 2 0 314.477 3.426 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000303783252 657562407 /nfs/dbraw/zinc/56/24/07/657562407.db2.gz ODMDTTBNNQRKML-UHFFFAOYSA-N 2 0 324.472 3.498 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303792333 657564776 /nfs/dbraw/zinc/56/47/76/657564776.db2.gz YJODRBPVAJZGMF-INIZCTEOSA-N 2 0 302.466 3.295 20 30 DGEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2c(CC)cccc2CC)C1 ZINC000303868790 657568677 /nfs/dbraw/zinc/56/86/77/657568677.db2.gz DOAVIWJJRDSAJJ-OAHLLOKOSA-N 2 0 316.493 3.270 20 30 DGEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000303880991 657571696 /nfs/dbraw/zinc/57/16/96/657571696.db2.gz HHEBPFOXRRKHFI-HUUCEWRRSA-N 2 0 314.477 3.411 20 30 DGEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303888745 657572781 /nfs/dbraw/zinc/57/27/81/657572781.db2.gz PCCXEBSVPWMREX-KRWDZBQOSA-N 2 0 310.530 3.372 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303899312 657575117 /nfs/dbraw/zinc/57/51/17/657575117.db2.gz RNKYPUYINZAAAH-XJKSGUPXSA-N 2 0 302.466 3.150 20 30 DGEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCCCC1 ZINC000303903448 657577025 /nfs/dbraw/zinc/57/70/25/657577025.db2.gz YJYLPIZAPBFEHB-OAHLLOKOSA-N 2 0 314.477 3.024 20 30 DGEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303900862 657577073 /nfs/dbraw/zinc/57/70/73/657577073.db2.gz XAOTYXAHMMFSMW-IRXDYDNUSA-N 2 0 310.530 3.226 20 30 DGEDRP CCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303971306 657582209 /nfs/dbraw/zinc/58/22/09/657582209.db2.gz DIDBGPFFVYNBQA-UHFFFAOYSA-N 2 0 316.493 3.267 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000303971726 657582484 /nfs/dbraw/zinc/58/24/84/657582484.db2.gz DXDIFVOPPIIQSY-UHFFFAOYSA-N 2 0 302.466 3.022 20 30 DGEDRP C[C@H]([NH2+]C1(C[NH+]=C(N(C)C)N(C)C)CCCC1)c1ccccc1 ZINC000304756127 657647124 /nfs/dbraw/zinc/64/71/24/657647124.db2.gz NKXMSRPBYZDDNE-INIZCTEOSA-N 2 0 316.493 3.129 20 30 DGEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N2CCCCCC2)c1 ZINC000305095566 657679486 /nfs/dbraw/zinc/67/94/86/657679486.db2.gz ZRMLFJVDLMGTGC-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000184330742 660164566 /nfs/dbraw/zinc/16/45/66/660164566.db2.gz LVABPZJMNDXBLR-IAGOWNOFSA-N 2 0 315.461 3.332 20 30 DGEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000931762845 661506269 /nfs/dbraw/zinc/50/62/69/661506269.db2.gz AMYFTAHMOUGNLA-QGZVFWFLSA-N 2 0 312.461 3.456 20 30 DGEDRP C#CC[N@@H+](C)CCCN[C@@H](C)c1sccc1Br ZINC000392928806 685215989 /nfs/dbraw/zinc/21/59/89/685215989.db2.gz JGSGWCOUSWGFNF-NSHDSACASA-N 2 0 315.280 3.116 20 30 DGEDRP CSc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1C#N ZINC001579387990 1191975083 /nfs/dbraw/zinc/97/50/83/1191975083.db2.gz LKHHTDIAILQXGB-UHFFFAOYSA-N 2 0 323.465 3.216 20 30 DGEDRP N#CCOc1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC001332878810 1178512826 /nfs/dbraw/zinc/51/28/26/1178512826.db2.gz NOWQOYQLZAJXMC-IBGZPJMESA-N 2 0 309.413 3.159 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001343286435 1179251943 /nfs/dbraw/zinc/25/19/43/1179251943.db2.gz OMRXKQIXZRGLGY-AOCRQIFASA-N 2 0 319.493 3.082 20 30 DGEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001631634435 1194346708 /nfs/dbraw/zinc/34/67/08/1194346708.db2.gz YMGJTPAUZOSGTR-UHFFFAOYSA-N 2 0 315.461 3.119 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001654830893 1195845729 /nfs/dbraw/zinc/84/57/29/1195845729.db2.gz VCVUWNKUHSQPGE-YSTOQKLRSA-N 2 0 309.457 3.133 20 30 DGEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001654838722 1195846971 /nfs/dbraw/zinc/84/69/71/1195846971.db2.gz YECFYFGNLOPPCY-QGZVFWFLSA-N 2 0 312.461 3.456 20 30 DGEDRP C#CCN(C)CCC[NH2+][C@@H](C)Cc1ccccc1SCC ZINC001659900012 1196427010 /nfs/dbraw/zinc/42/70/10/1196427010.db2.gz BUSHVRCJDYKDDD-INIZCTEOSA-N 2 0 304.503 3.274 20 30 DGEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC001660251683 1196462471 /nfs/dbraw/zinc/46/24/71/1196462471.db2.gz ZWRDQCVJNTWDBJ-GRBKOLQVSA-N 2 0 323.484 3.320 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000303911274 1199601111 /nfs/dbraw/zinc/60/11/11/1199601111.db2.gz ZKHGSEVYQAYORX-HZPDHXFCSA-N 2 0 302.466 3.090 20 30 DGEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001700221397 1202213379 /nfs/dbraw/zinc/21/33/79/1202213379.db2.gz PRCFKTOPBOLLDT-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001734012923 1205288356 /nfs/dbraw/zinc/28/83/56/1205288356.db2.gz VJSMDLCJZKAWFL-AOCRQIFASA-N 2 0 323.525 3.041 20 30 DGEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365484 1082890383 /nfs/dbraw/zinc/89/03/83/1082890383.db2.gz KTYLBSFYFVTSNV-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377504 1082893827 /nfs/dbraw/zinc/89/38/27/1082893827.db2.gz XWJUDRGFCVTYFL-QZTJIDSGSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377506 1082894522 /nfs/dbraw/zinc/89/45/22/1082894522.db2.gz XWJUDRGFCVTYFL-ZWKOTPCHSA-N 2 0 323.525 3.044 20 30 DGEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168232742 1087065575 /nfs/dbraw/zinc/06/55/75/1087065575.db2.gz BKDNRTWNACRWOO-SQNIBIBYSA-N 2 0 303.425 3.121 20 30 DGEDRP N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1CC[NH+](CC2CC2)CC1 ZINC001168363205 1087376870 /nfs/dbraw/zinc/37/68/70/1087376870.db2.gz VSRMKSYOYHFMIU-UHFFFAOYSA-N 2 0 322.456 3.061 20 30 DGEDRP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854460 1088386593 /nfs/dbraw/zinc/38/65/93/1088386593.db2.gz CWXKEXDVTJPVRV-QGZVFWFLSA-N 2 0 323.525 3.044 20 30 DGEDRP CCCCCCCCCCN(C)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001161221098 1089158443 /nfs/dbraw/zinc/15/84/43/1089158443.db2.gz INJPRFJKNWDUHJ-KRWDZBQOSA-N 2 0 313.530 3.303 20 30 DGEDRP C=CCN(c1cc(OC2CC[NH+](C)CC2)cc[nH+]1)C(C)(C)C ZINC001157585905 1090040045 /nfs/dbraw/zinc/04/00/45/1090040045.db2.gz VIUHIVPWJNIEHP-UHFFFAOYSA-N 2 0 303.450 3.346 20 30 DGEDRP C=CCCCCCCCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276434806 1090866761 /nfs/dbraw/zinc/86/67/61/1090866761.db2.gz FFEHHVZNPPLHEI-UHFFFAOYSA-N 2 0 321.553 3.472 20 30 DGEDRP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001138559051 1091227364 /nfs/dbraw/zinc/22/73/64/1091227364.db2.gz NGZPTXSESYFWQS-UHFFFAOYSA-N 2 0 314.473 3.251 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139878687 1091701025 /nfs/dbraw/zinc/70/10/25/1091701025.db2.gz UAOPANPNTIWNOK-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP CC1([NH+]2CCCC2)CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208864793 1092551715 /nfs/dbraw/zinc/55/17/15/1092551715.db2.gz UJARIFPFQODWJV-UHFFFAOYSA-N 2 0 311.473 3.441 20 30 DGEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183281 1093070644 /nfs/dbraw/zinc/07/06/44/1093070644.db2.gz NADZFLQENIZVFJ-SFHVURJKSA-N 2 0 323.525 3.045 20 30 DGEDRP C[NH2+]Cc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001211128327 1093386233 /nfs/dbraw/zinc/38/62/33/1093386233.db2.gz DXBPNYHFKXKASB-UHFFFAOYSA-N 2 0 312.442 3.071 20 30 DGEDRP c1ccc([S+](CCO[C@H]2C=CC[NH2+]C2)c2ccccc2)cc1 ZINC001217884432 1094511051 /nfs/dbraw/zinc/51/10/51/1094511051.db2.gz ZHDGJFPSCJJIBG-KRWDZBQOSA-N 2 0 312.458 3.268 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860688 1094722686 /nfs/dbraw/zinc/72/26/86/1094722686.db2.gz GGZDVIVJSKOICF-IRXDYDNUSA-N 2 0 313.530 3.172 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135980352 1094773896 /nfs/dbraw/zinc/77/38/96/1094773896.db2.gz ODDRWTBIYHJGFN-SJORKVTESA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601535 1095295677 /nfs/dbraw/zinc/29/56/77/1095295677.db2.gz FYCOOCGDBNPKRC-UHFFFAOYSA-N 2 0 323.525 3.092 20 30 DGEDRP C[C@H](CCNC1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC001338632744 1095349223 /nfs/dbraw/zinc/34/92/23/1095349223.db2.gz WSKBXRPBCMLNAR-QHGAOEGBSA-N 2 0 311.473 3.464 20 30 DGEDRP C=CCCCCCCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086499 1095429213 /nfs/dbraw/zinc/42/92/13/1095429213.db2.gz ZHRFYLFEUMKWKW-UHFFFAOYSA-N 2 0 307.526 3.321 20 30 DGEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161450 1095467154 /nfs/dbraw/zinc/46/71/54/1095467154.db2.gz ORWOEQJGEADJSR-FQEVSTJZSA-N 2 0 311.473 3.347 20 30 DGEDRP C=CCOc1ccc(CN2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222292543 1095534163 /nfs/dbraw/zinc/53/41/63/1095534163.db2.gz FFRMENSFHXRBER-UHFFFAOYSA-N 2 0 300.446 3.360 20 30 DGEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171247274 1095916640 /nfs/dbraw/zinc/91/66/40/1095916640.db2.gz KOUXHQFVZGTOQM-ROUUACIJSA-N 2 0 323.525 3.090 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC001340517671 1095967538 /nfs/dbraw/zinc/96/75/38/1095967538.db2.gz VHRRZZWWIUFENP-SJORKVTESA-N 2 0 300.446 3.081 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC001119090755 1096132061 /nfs/dbraw/zinc/13/20/61/1096132061.db2.gz MKEMODJLSXWGFD-MWXLCCTBSA-N 2 0 319.452 3.160 20 30 DGEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171919162 1097001819 /nfs/dbraw/zinc/00/18/19/1097001819.db2.gz WZNKZVGZHZABKN-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)C2 ZINC001172119019 1097063619 /nfs/dbraw/zinc/06/36/19/1097063619.db2.gz VDBGHBRBYMVVKY-NNZMDNLPSA-N 2 0 323.440 3.266 20 30 DGEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001172294743 1097107764 /nfs/dbraw/zinc/10/77/64/1097107764.db2.gz LQAAIQPXUHSZCT-INIZCTEOSA-N 2 0 307.441 3.341 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001172300054 1097109861 /nfs/dbraw/zinc/10/98/61/1097109861.db2.gz RKYMARABZUMMGQ-JKSUJKDBSA-N 2 0 301.478 3.480 20 30 DGEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)CCOCC(C)C ZINC001172466614 1097163523 /nfs/dbraw/zinc/16/35/23/1097163523.db2.gz HRAVSHALFWODAT-OAHLLOKOSA-N 2 0 305.466 3.105 20 30 DGEDRP C[C@H](CCCC#N)[NH2+][C@@H](CN)c1ccc(Br)cc1 ZINC001172490068 1097167090 /nfs/dbraw/zinc/16/70/90/1097167090.db2.gz VEDWGYYNMZALDD-RISCZKNCSA-N 2 0 310.239 3.121 20 30 DGEDRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172491870 1097167806 /nfs/dbraw/zinc/16/78/06/1097167806.db2.gz KJYZMSNYRNOODW-INIZCTEOSA-N 2 0 315.461 3.113 20 30 DGEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](CCC)CCC ZINC001229645828 1097358773 /nfs/dbraw/zinc/35/87/73/1097358773.db2.gz SCXIEUCBYNTEFW-QZTJIDSGSA-N 2 0 323.525 3.092 20 30 DGEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001173331620 1097419670 /nfs/dbraw/zinc/41/96/70/1097419670.db2.gz CVHOUXYQMCYCJN-UHFFFAOYSA-N 2 0 311.473 3.495 20 30 DGEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001175774500 1098166450 /nfs/dbraw/zinc/16/64/50/1098166450.db2.gz FMKHYGZSILCGPQ-KRWDZBQOSA-N 2 0 320.440 3.281 20 30 DGEDRP C=CCc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1O ZINC001235231619 1098905732 /nfs/dbraw/zinc/90/57/32/1098905732.db2.gz VALDLOJJCSURKS-LJQANCHMSA-N 2 0 314.473 3.475 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702954 1099135986 /nfs/dbraw/zinc/13/59/86/1099135986.db2.gz YNXMPTKOZYVQAK-UHFFFAOYSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CC[NH2+]CCN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236215134 1099471996 /nfs/dbraw/zinc/47/19/96/1099471996.db2.gz WKNWWJULSHISSD-UHFFFAOYSA-N 2 0 321.896 3.012 20 30 DGEDRP N#Cc1cc(-c2ccc3c(N)cc[nH+]c3c2)cc(C2C[NH2+]C2)c1 ZINC001240356819 1100957022 /nfs/dbraw/zinc/95/70/22/1100957022.db2.gz XJEICIHWZPJQOW-UHFFFAOYSA-N 2 0 300.365 3.042 20 30 DGEDRP Cc1cc(C)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1C#N ZINC001201672945 1102679486 /nfs/dbraw/zinc/67/94/86/1102679486.db2.gz PKSOBAZLJBYXDO-UHFFFAOYSA-N 2 0 321.428 3.066 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCCCC)CC1 ZINC001257519826 1103053611 /nfs/dbraw/zinc/05/36/11/1103053611.db2.gz NMVQFBMMBIQSQX-IBGZPJMESA-N 2 0 307.526 3.247 20 30 DGEDRP N#CC1(c2ccccc2-c2ccc3c[nH+]cn3c2)CC[NH2+]CC1 ZINC001245896464 1104294074 /nfs/dbraw/zinc/29/40/74/1104294074.db2.gz BKJKBDHLFYZOAB-UHFFFAOYSA-N 2 0 302.381 3.146 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246035051 1104356613 /nfs/dbraw/zinc/35/66/13/1104356613.db2.gz NQVANSVCRDGADY-MJGOQNOKSA-N 2 0 310.526 3.419 20 30 DGEDRP C=CCC[C@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064612 1104363690 /nfs/dbraw/zinc/36/36/90/1104363690.db2.gz FUGMDPMZCDDXPC-UFYCRDLUSA-N 2 0 316.489 3.394 20 30 DGEDRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246114264 1104391766 /nfs/dbraw/zinc/39/17/66/1104391766.db2.gz VGQVLHGALXGAQX-NXMBOHNASA-N 2 0 311.473 3.368 20 30 DGEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)O3)C[C@H](C1)C2 ZINC001246135275 1104401441 /nfs/dbraw/zinc/40/14/41/1104401441.db2.gz QECBSMVSNKJCRF-UJJTZGENSA-N 2 0 304.478 3.012 20 30 DGEDRP CCCCCCC[C@@H](C)[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246318475 1104487611 /nfs/dbraw/zinc/48/76/11/1104487611.db2.gz JSBIMVARJYSCGL-MRXNPFEDSA-N 2 0 312.498 3.258 20 30 DGEDRP CC[C@@H]1C[C@H]([NH2+]CCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331469 1104494789 /nfs/dbraw/zinc/49/47/89/1104494789.db2.gz XHCYHZXTFLVJRE-PIIMJCKOSA-N 2 0 315.461 3.226 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246395816 1104523811 /nfs/dbraw/zinc/52/38/11/1104523811.db2.gz AKQSFXQXQTYCMU-DDUZABMNSA-N 2 0 301.409 3.148 20 30 DGEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CCC2)C2C[NH2+]C2)CC1 ZINC001246520997 1104576424 /nfs/dbraw/zinc/57/64/24/1104576424.db2.gz XVJZHGKDNMTTBI-NYLDSWQDSA-N 2 0 323.484 3.368 20 30 DGEDRP N#Cc1cncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)c1 ZINC001275027803 1104580107 /nfs/dbraw/zinc/58/01/07/1104580107.db2.gz PRCKBGBNVKHTHG-VQTJNVASSA-N 2 0 324.472 3.420 20 30 DGEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246624091 1104632617 /nfs/dbraw/zinc/63/26/17/1104632617.db2.gz FNEDFVSIHLPUIL-KRWDZBQOSA-N 2 0 323.525 3.070 20 30 DGEDRP CCCCCCCCC[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275132477 1104642040 /nfs/dbraw/zinc/64/20/40/1104642040.db2.gz UFXRLTDGEBMXJA-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP N#CCC[N@H+]([C@H]1CSC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246768696 1104667584 /nfs/dbraw/zinc/66/75/84/1104667584.db2.gz GLVJGMMSWLVZGQ-MRXNPFEDSA-N 2 0 307.507 3.162 20 30 DGEDRP CCCCCCC[C@H](CC)[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001246796333 1104680747 /nfs/dbraw/zinc/68/07/47/1104680747.db2.gz QTMOTQAFZNMEHF-SFHVURJKSA-N 2 0 309.542 3.495 20 30 DGEDRP N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246934280 1104743314 /nfs/dbraw/zinc/74/33/14/1104743314.db2.gz TYIGEULTJBPQSL-FWGXRIOKSA-N 2 0 323.484 3.322 20 30 DGEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001275591783 1104824068 /nfs/dbraw/zinc/82/40/68/1104824068.db2.gz BDRWAPCCIHFJAZ-INIZCTEOSA-N 2 0 323.525 3.042 20 30 DGEDRP C#CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2 ZINC001275975451 1104975218 /nfs/dbraw/zinc/97/52/18/1104975218.db2.gz DLAKTLNTNNOADV-ZWKOTPCHSA-N 2 0 317.502 3.390 20 30 DGEDRP C=CCC[C@H](O)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001252602351 1105800029 /nfs/dbraw/zinc/80/00/29/1105800029.db2.gz QPAMURURVSPJOQ-IBGZPJMESA-N 2 0 308.510 3.148 20 30 DGEDRP CC(C)(S)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129449 1106186443 /nfs/dbraw/zinc/18/64/43/1106186443.db2.gz YIVKZHMFHLGFJF-OSYLJGHBSA-N 2 0 304.503 3.480 20 30 DGEDRP CC(C)(C)[NH+]1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001256564018 1106445682 /nfs/dbraw/zinc/44/56/82/1106445682.db2.gz NKEVONOHWYEETD-UHFFFAOYSA-N 2 0 315.461 3.180 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C(CCC)CCC)CC1 ZINC001257339280 1106571084 /nfs/dbraw/zinc/57/10/84/1106571084.db2.gz MZPLOKCNNBSXEO-UHFFFAOYSA-N 2 0 307.526 3.247 20 30 DGEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC001258903012 1107051476 /nfs/dbraw/zinc/05/14/76/1107051476.db2.gz KFYMIJJPTLQBAQ-INIZCTEOSA-N 2 0 303.450 3.037 20 30 DGEDRP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001265664934 1108957620 /nfs/dbraw/zinc/95/76/20/1108957620.db2.gz ZOFOSJNEQOWMPO-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000174272652 198313700 /nfs/dbraw/zinc/31/37/00/198313700.db2.gz YONILRGRXWEKDK-INIZCTEOSA-N 2 0 315.461 3.169 20 30 DGEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174305845 198317034 /nfs/dbraw/zinc/31/70/34/198317034.db2.gz ZBTZVYQLXJTYNM-UHFFFAOYSA-N 2 0 309.413 3.153 20 30 DGEDRP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000174403065 198330529 /nfs/dbraw/zinc/33/05/29/198330529.db2.gz IJQAZNIPENIQCL-QGZVFWFLSA-N 2 0 303.450 3.023 20 30 DGEDRP CC(C)[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000170670691 432076600 /nfs/dbraw/zinc/07/66/00/432076600.db2.gz FCPPHDIEZDHYRF-UHFFFAOYSA-N 2 0 317.502 3.254 20 30 DGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000449082743 240008740 /nfs/dbraw/zinc/00/87/40/240008740.db2.gz PNGHVUABEMGQIZ-KRWDZBQOSA-N 2 0 316.493 3.058 20 30 DGEDRP Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1C#N ZINC000488149100 245153677 /nfs/dbraw/zinc/15/36/77/245153677.db2.gz KTJPMCKURAFVSB-INIZCTEOSA-N 2 0 308.429 3.055 20 30 DGEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000124922349 195694649 /nfs/dbraw/zinc/69/46/49/195694649.db2.gz QMSHVMWMDOEUBQ-OAHLLOKOSA-N 2 0 303.450 3.167 20 30 DGEDRP C[C@@]1(C#N)CCC[NH+](CCCCC[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612162564 400501234 /nfs/dbraw/zinc/50/12/34/400501234.db2.gz OQXHLDGYIIFQEZ-OALUTQOASA-N 2 0 316.493 3.408 20 30 DGEDRP C[C@]1(C#N)CCC[NH+](CCCCC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612162566 400501574 /nfs/dbraw/zinc/50/15/74/400501574.db2.gz OQXHLDGYIIFQEZ-RTBURBONSA-N 2 0 316.493 3.408 20 30 DGEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cccc(C#N)n3)CC2)CC1 ZINC000602582527 400504051 /nfs/dbraw/zinc/50/40/51/400504051.db2.gz NAKMYYVDUHWXQT-UHFFFAOYSA-N 2 0 312.461 3.086 20 30 DGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012101 400539061 /nfs/dbraw/zinc/53/90/61/400539061.db2.gz KZEQVRXVRCTJTK-VQIMIIECSA-N 2 0 311.473 3.404 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCSCC#N)C1 ZINC000074990938 400551808 /nfs/dbraw/zinc/55/18/08/400551808.db2.gz GFPKDNUEGCSBRB-DLBZAZTESA-N 2 0 309.523 3.220 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598604522 400843329 /nfs/dbraw/zinc/84/33/29/400843329.db2.gz UJEDNBGQUNYYQJ-SFHVURJKSA-N 2 0 323.525 3.121 20 30 DGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000593701980 400896364 /nfs/dbraw/zinc/89/63/64/400896364.db2.gz JHAMEMWGTJDCJI-YLJYHZDGSA-N 2 0 322.456 3.195 20 30 DGEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192934107 165309773 /nfs/dbraw/zinc/30/97/73/165309773.db2.gz ZZPUFPNXVANQNV-HXUWFJFHSA-N 2 0 305.425 3.170 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247217679 432213442 /nfs/dbraw/zinc/21/34/42/432213442.db2.gz VUJWNZPDTGSQFH-IEBWSBKVSA-N 2 0 300.446 3.168 20 30 DGEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000174324551 432336849 /nfs/dbraw/zinc/33/68/49/432336849.db2.gz XTWPNCXNHZWSCL-UHFFFAOYSA-N 2 0 315.442 3.215 20 30 DGEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249111244 432339967 /nfs/dbraw/zinc/33/99/67/432339967.db2.gz BTDNQTORSJTNEH-ICSRJNTNSA-N 2 0 309.457 3.315 20 30 DGEDRP C=CCSCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271536643 432418690 /nfs/dbraw/zinc/41/86/90/432418690.db2.gz XSYQHQPXASFTDY-HNNXBMFYSA-N 2 0 308.491 3.197 20 30 DGEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000264081393 432612721 /nfs/dbraw/zinc/61/27/21/432612721.db2.gz HJWAVGBVUFIYNN-HNNXBMFYSA-N 2 0 302.466 3.269 20 30 DGEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264096717 432614340 /nfs/dbraw/zinc/61/43/40/432614340.db2.gz MVUDMKMQVRROBQ-CQSZACIVSA-N 2 0 314.477 3.022 20 30 DGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685818 432649846 /nfs/dbraw/zinc/64/98/46/432649846.db2.gz KSDKNCJAZMMENY-GASCZTMLSA-N 2 0 305.491 3.467 20 30 DGEDRP N#Cc1ccc(F)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585124 432767875 /nfs/dbraw/zinc/76/78/75/432767875.db2.gz KAYXICFHELNBEM-INIZCTEOSA-N 2 0 301.409 3.005 20 30 DGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266988444 432804013 /nfs/dbraw/zinc/80/40/13/432804013.db2.gz SFHRFUYREMBILS-OAHLLOKOSA-N 2 0 324.428 3.157 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780586 433829856 /nfs/dbraw/zinc/82/98/56/433829856.db2.gz LRFRMBVWBOYUTO-IRXDYDNUSA-N 2 0 300.446 3.073 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414976925 433948266 /nfs/dbraw/zinc/94/82/66/433948266.db2.gz QSYMHSYDVDDBSN-MRXNPFEDSA-N 2 0 308.853 3.383 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414976923 433948525 /nfs/dbraw/zinc/94/85/25/433948525.db2.gz QSYMHSYDVDDBSN-INIZCTEOSA-N 2 0 308.853 3.383 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423097472 434217768 /nfs/dbraw/zinc/21/77/68/434217768.db2.gz AZYFRQBAMIICFA-GUDVDZBRSA-N 2 0 300.446 3.262 20 30 DGEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423545483 434485781 /nfs/dbraw/zinc/48/57/81/434485781.db2.gz CRCYLHXVHWHVPQ-ROUUACIJSA-N 2 0 315.505 3.170 20 30 DGEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000459734032 434685162 /nfs/dbraw/zinc/68/51/62/434685162.db2.gz RGDRFIVQOGSMLB-GUDVDZBRSA-N 2 0 311.473 3.426 20 30 DGEDRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)N1CCc2ccccc2C1 ZINC000463287916 434952568 /nfs/dbraw/zinc/95/25/68/434952568.db2.gz NWEKUOARFUZWRH-NSISKUIASA-N 2 0 311.473 3.495 20 30 DGEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@H](C#N)CCC#N)cc2)C1 ZINC000558751018 435109763 /nfs/dbraw/zinc/10/97/63/435109763.db2.gz YBPREWXZIYIVFD-PXNSSMCTSA-N 2 0 324.472 3.452 20 30 DGEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](C#N)CCC#N)cc2)C1 ZINC000558751017 435110029 /nfs/dbraw/zinc/11/00/29/435110029.db2.gz YBPREWXZIYIVFD-FXAWDEMLSA-N 2 0 324.472 3.452 20 30 DGEDRP C[NH+]1CCC2(CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000639756556 435409937 /nfs/dbraw/zinc/40/99/37/435409937.db2.gz WWBCQWMSRKGYHC-UHFFFAOYSA-N 2 0 302.849 3.109 20 30 DGEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1 ZINC000651709634 435800362 /nfs/dbraw/zinc/80/03/62/435800362.db2.gz CEXBUAUHZOBOEB-RDGPPVDQSA-N 2 0 308.510 3.458 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543525 436079419 /nfs/dbraw/zinc/07/94/19/436079419.db2.gz OUJHMMDCZARHED-MOPGFXCFSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952250 436314500 /nfs/dbraw/zinc/31/45/00/436314500.db2.gz MORQXXODEOSYIQ-INIZCTEOSA-N 2 0 306.837 3.137 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000567098319 315395931 /nfs/dbraw/zinc/39/59/31/315395931.db2.gz PMUFYIYQHVEMBA-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP CC1CC[NH+](C2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)CC1 ZINC000572714586 332653974 /nfs/dbraw/zinc/65/39/74/332653974.db2.gz QGYDDTINJQYBRX-AOCRQIFASA-N 2 0 302.466 3.063 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414789758 334097689 /nfs/dbraw/zinc/09/76/89/334097689.db2.gz YVQNMBCVSXNRDV-ZWKOTPCHSA-N 2 0 300.446 3.073 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928874 533916907 /nfs/dbraw/zinc/91/69/07/533916907.db2.gz JJSYOPKKYVXVBY-LPHOPBHVSA-N 2 0 311.473 3.495 20 30 DGEDRP C=CCOCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348037127 526746263 /nfs/dbraw/zinc/74/62/63/526746263.db2.gz RMOOOUKXMQBHAY-LJQANCHMSA-N 2 0 302.462 3.033 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346856270 526873213 /nfs/dbraw/zinc/87/32/13/526873213.db2.gz VVCWTJRFWWRLFW-ZMSDIMECSA-N 2 0 320.864 3.464 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347232057 526932433 /nfs/dbraw/zinc/93/24/33/526932433.db2.gz YMUDKGDXERKFHC-SFHVURJKSA-N 2 0 300.446 3.215 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000180406229 527115603 /nfs/dbraw/zinc/11/56/03/527115603.db2.gz JBBMSKSJFJHALT-INIZCTEOSA-N 2 0 300.446 3.222 20 30 DGEDRP C=CCC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000290361271 527485784 /nfs/dbraw/zinc/48/57/84/527485784.db2.gz QTVCAHIPHYJKFT-SFHVURJKSA-N 2 0 317.477 3.247 20 30 DGEDRP C=CCC[C@H](CC)[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679045138 548822362 /nfs/dbraw/zinc/82/23/62/548822362.db2.gz SQTILFBNXWIJPU-VQTJNVASSA-N 2 0 316.489 3.348 20 30 DGEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679724359 548945049 /nfs/dbraw/zinc/94/50/49/548945049.db2.gz VENFBINQSKUODZ-XUVXKRRUSA-N 2 0 314.473 3.079 20 30 DGEDRP C=CCOCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684204418 549594430 /nfs/dbraw/zinc/59/44/30/549594430.db2.gz AAGSMWFRFZEOIM-MJGOQNOKSA-N 2 0 302.462 3.079 20 30 DGEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685462781 549765444 /nfs/dbraw/zinc/76/54/44/549765444.db2.gz AIAFYOUNLVJZLY-GOSISDBHSA-N 2 0 314.473 3.415 20 30 DGEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731214036 574545473 /nfs/dbraw/zinc/54/54/73/574545473.db2.gz QWMBPDBMFZLBGC-UHFFFAOYSA-N 2 0 315.461 3.141 20 30 DGEDRP CCCCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000749461331 575658422 /nfs/dbraw/zinc/65/84/22/575658422.db2.gz VODXNLHMUCLFAC-UHFFFAOYSA-N 2 0 309.542 3.447 20 30 DGEDRP C[C@@]1(C#N)CC[N@H+](CCCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000852686068 620641318 /nfs/dbraw/zinc/64/13/18/620641318.db2.gz FEXVPKMHZWQCEX-HDICACEKSA-N 2 0 302.466 3.018 20 30 DGEDRP C=C(C)CN1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137490 617748466 /nfs/dbraw/zinc/74/84/66/617748466.db2.gz KMQGTUDKYCDNDP-HNNXBMFYSA-N 2 0 305.853 3.352 20 30 DGEDRP C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791745 618831445 /nfs/dbraw/zinc/83/14/45/618831445.db2.gz FKZZCDRMSWVUAB-YSIASYRMSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCO1 ZINC000927040064 619259773 /nfs/dbraw/zinc/25/97/73/619259773.db2.gz WIOYXKONVFFPBQ-YBXZHIRMSA-N 2 0 306.494 3.497 20 30 DGEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@]1(C)CCCCO1 ZINC000903010294 619704047 /nfs/dbraw/zinc/70/40/47/619704047.db2.gz KDSBMCYWPSNXPB-BMSWRWNDSA-N 2 0 306.494 3.495 20 30 DGEDRP C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903109212 619718338 /nfs/dbraw/zinc/71/83/38/619718338.db2.gz ZNJSJWWRNPXXTK-MRXNPFEDSA-N 2 0 315.461 3.362 20 30 DGEDRP N#CC1(CCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CCC1 ZINC000903759612 619809089 /nfs/dbraw/zinc/80/90/89/619809089.db2.gz BHWFPJQMLRWWGQ-ZWKOTPCHSA-N 2 0 319.493 3.069 20 30 DGEDRP Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1C#N ZINC000903793032 619811675 /nfs/dbraw/zinc/81/16/75/619811675.db2.gz LDSHDHOHJVNKRY-UHFFFAOYSA-N 2 0 319.452 3.359 20 30 DGEDRP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)ccc1C#N ZINC000922844250 621107480 /nfs/dbraw/zinc/10/74/80/621107480.db2.gz AIOKJBKYNYZPIF-UHFFFAOYSA-N 2 0 313.445 3.063 20 30 DGEDRP C#CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922847749 621108051 /nfs/dbraw/zinc/10/80/51/621108051.db2.gz WQDILUIVBIRKQY-UHFFFAOYSA-N 2 0 312.457 3.195 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125807562 623562535 /nfs/dbraw/zinc/56/25/35/623562535.db2.gz WEWPSDWOXLNYTA-ROUUACIJSA-N 2 0 314.473 3.470 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000877683949 623991273 /nfs/dbraw/zinc/99/12/73/623991273.db2.gz CSAVWKGVJYXEJA-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259036 624875167 /nfs/dbraw/zinc/87/51/67/624875167.db2.gz GZXGHMINXSIMSR-CVEARBPZSA-N 2 0 306.413 3.225 20 30 DGEDRP C=CCC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1Cc2ccccc2O1 ZINC000883180930 625957559 /nfs/dbraw/zinc/95/75/59/625957559.db2.gz OHQZSHAIFMICLF-MJGOQNOKSA-N 2 0 302.462 3.256 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000886689866 627191146 /nfs/dbraw/zinc/19/11/46/627191146.db2.gz JFIFDMLMIOAKFH-GVDBMIGSSA-N 2 0 315.486 3.243 20 30 DGEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133172 627227846 /nfs/dbraw/zinc/22/78/46/627227846.db2.gz VQTRQAMGTSAGSI-HZPDHXFCSA-N 2 0 306.413 3.225 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925079641 627706761 /nfs/dbraw/zinc/70/67/61/627706761.db2.gz YCYIAJCEDVAAHJ-BBWFWOEESA-N 2 0 309.498 3.041 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779295 627793864 /nfs/dbraw/zinc/79/38/64/627793864.db2.gz WOEFPMOZYZRQNF-DOTOQJQBSA-N 2 0 319.399 3.160 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950241 627972541 /nfs/dbraw/zinc/97/25/41/627972541.db2.gz WWNCWXJUZNQPAP-HXUWFJFHSA-N 2 0 305.425 3.227 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000817971407 627980316 /nfs/dbraw/zinc/98/03/16/627980316.db2.gz LYHPZNIBYAVONJ-HACGYAERSA-N 2 0 308.853 3.467 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000840810014 630360844 /nfs/dbraw/zinc/36/08/44/630360844.db2.gz ZRJQIXYTDBNIOQ-IAGOWNOFSA-N 2 0 300.446 3.081 20 30 DGEDRP C=CCNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849007655 631804828 /nfs/dbraw/zinc/80/48/28/631804828.db2.gz KDRHDIWMCUBZIE-RDJZCZTQSA-N 2 0 302.466 3.052 20 30 DGEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849032559 631814162 /nfs/dbraw/zinc/81/41/62/631814162.db2.gz LKQPMTCPUDWFAH-HNNXBMFYSA-N 2 0 300.450 3.091 20 30 DGEDRP C[NH+](C)[C@H]1C[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849049943 631818401 /nfs/dbraw/zinc/81/84/01/631818401.db2.gz XFZRSAATVFZMOY-MAEOIBBWSA-N 2 0 314.477 3.281 20 30 DGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262002883 655747365 /nfs/dbraw/zinc/74/73/65/655747365.db2.gz QKUHGQTUAFGPNO-INIZCTEOSA-N 2 0 316.493 3.040 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000161608680 655807589 /nfs/dbraw/zinc/80/75/89/655807589.db2.gz DXKLHDDQGOAPQD-MRXNPFEDSA-N 2 0 300.446 3.224 20 30 DGEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236786126 656441066 /nfs/dbraw/zinc/44/10/66/656441066.db2.gz VHRTYMFRCWMDCT-SFHVURJKSA-N 2 0 315.461 3.191 20 30 DGEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262308547 657502058 /nfs/dbraw/zinc/50/20/58/657502058.db2.gz RXHQKIYINMULAX-LBPRGKRZSA-N 2 0 324.419 3.202 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000303712044 657557941 /nfs/dbraw/zinc/55/79/41/657557941.db2.gz PRKNFZDCIIDURU-WMLDXEAASA-N 2 0 302.466 3.411 20 30 DGEDRP CCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303771053 657560302 /nfs/dbraw/zinc/56/03/02/657560302.db2.gz CHBUPIXCQIQOLC-MRXNPFEDSA-N 2 0 316.493 3.265 20 30 DGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCCCC1 ZINC000303903445 657577469 /nfs/dbraw/zinc/57/74/69/657577469.db2.gz YJYLPIZAPBFEHB-HNNXBMFYSA-N 2 0 314.477 3.024 20 30 DGEDRP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+]1CCCC1 ZINC000304643905 657641124 /nfs/dbraw/zinc/64/11/24/657641124.db2.gz DLSINGPCMCJPHP-HNNXBMFYSA-N 2 0 314.477 3.024 20 30 DGEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000304752722 657647565 /nfs/dbraw/zinc/64/75/65/657647565.db2.gz KMYBKAFOFHRQRS-MRXNPFEDSA-N 2 0 310.530 3.228 20 30 DGEDRP COc1cccc(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)c1 ZINC000304764693 657650033 /nfs/dbraw/zinc/65/00/33/657650033.db2.gz YKDSNQPPHDXLRM-UHFFFAOYSA-N 2 0 318.465 3.078 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304762540 657650430 /nfs/dbraw/zinc/65/04/30/657650430.db2.gz VUDQBQLDFKTOMP-UHFFFAOYSA-N 2 0 314.477 3.043 20 30 DGEDRP C[C@H](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCCC1 ZINC000305829418 657737724 /nfs/dbraw/zinc/73/77/24/657737724.db2.gz SPWGTWIIQSOOIX-OAHLLOKOSA-N 2 0 314.477 3.166 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237500147 658720876 /nfs/dbraw/zinc/72/08/76/658720876.db2.gz WVTWZYIAFJYNCP-SFHVURJKSA-N 2 0 314.473 3.443 20 30 DGEDRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093693143 662359032 /nfs/dbraw/zinc/35/90/32/662359032.db2.gz OSKIWKNBZNKHBX-FUHWJXTLSA-N 2 0 315.461 3.141 20 30 DGEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000392861562 685216365 /nfs/dbraw/zinc/21/63/65/685216365.db2.gz NDMOUJDTCGZIAZ-INIZCTEOSA-N 2 0 310.441 3.454 20 30 DGEDRP C=CC[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001620797698 1192042977 /nfs/dbraw/zinc/04/29/77/1192042977.db2.gz HYPSURNQTYOYBP-LLVKDONJSA-N 2 0 312.360 3.124 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1Cl ZINC001461831402 1182865007 /nfs/dbraw/zinc/86/50/07/1182865007.db2.gz STLXIRUHMZOBSX-YQQAZPJKSA-N 2 0 320.864 3.335 20 30 DGEDRP N#Cc1ccnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC001642346092 1194904455 /nfs/dbraw/zinc/90/44/55/1194904455.db2.gz RJANZOYOPNLUDM-UHFFFAOYSA-N 2 0 312.461 3.041 20 30 DGEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001651478569 1195468793 /nfs/dbraw/zinc/46/87/93/1195468793.db2.gz AXXRHNCDIJGQAW-PKOBYXMFSA-N 2 0 313.489 3.273 20 30 DGEDRP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001755020976 1200582431 /nfs/dbraw/zinc/58/24/31/1200582431.db2.gz NVZHUKNOYFRHOO-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001700324428 1202237042 /nfs/dbraw/zinc/23/70/42/1202237042.db2.gz UTPPAUYJMWVDIH-MSOLQXFVSA-N 2 0 323.525 3.022 20 30 DGEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001700324430 1202237383 /nfs/dbraw/zinc/23/73/83/1202237383.db2.gz UTPPAUYJMWVDIH-ROUUACIJSA-N 2 0 323.525 3.022 20 30 DGEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717414587 1203639171 /nfs/dbraw/zinc/63/91/71/1203639171.db2.gz DEJGSCOETQRBGD-JKSUJKDBSA-N 2 0 323.525 3.088 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC001208926177 1081668394 /nfs/dbraw/zinc/66/83/94/1081668394.db2.gz IDCBVSTVJSQCFC-UHFFFAOYSA-N 2 0 311.473 3.155 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170091599 1082070663 /nfs/dbraw/zinc/07/06/63/1082070663.db2.gz UIMGYTROFBRJAZ-FQEVSTJZSA-N 2 0 321.553 3.493 20 30 DGEDRP C=CCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815591 1082738937 /nfs/dbraw/zinc/73/89/37/1082738937.db2.gz KUUDBKOJGKRLES-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612771 1083311776 /nfs/dbraw/zinc/31/17/76/1083311776.db2.gz PWDQUGQEXMEKNX-IAGOWNOFSA-N 2 0 323.525 3.090 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167919314 1084784873 /nfs/dbraw/zinc/78/48/73/1084784873.db2.gz YCWKKTOSBBDUBH-JSYLVRCQSA-N 2 0 309.457 3.429 20 30 DGEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001168304333 1087287579 /nfs/dbraw/zinc/28/75/79/1087287579.db2.gz WVGTVXMHDSKCQL-UHFFFAOYSA-N 2 0 311.429 3.124 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734778 1091024858 /nfs/dbraw/zinc/02/48/58/1091024858.db2.gz DUXSXCWWIKUMNF-UHFFFAOYSA-N 2 0 300.446 3.217 20 30 DGEDRP C=C(C)COc1ccccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001138665959 1091281272 /nfs/dbraw/zinc/28/12/72/1091281272.db2.gz DPMSHWSQEYYBQY-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP CCN(CCC[NH+](C)C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405974 1091549863 /nfs/dbraw/zinc/54/98/63/1091549863.db2.gz HRFSYRXEKADKLM-UHFFFAOYSA-N 2 0 322.456 3.394 20 30 DGEDRP CCc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC001216316367 1094172700 /nfs/dbraw/zinc/17/27/00/1094172700.db2.gz PFKNQCKQHUJZNI-UHFFFAOYSA-N 2 0 321.428 3.011 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170785118 1094372079 /nfs/dbraw/zinc/37/20/79/1094372079.db2.gz OIJSSRPRRLRUPS-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081376 1094392073 /nfs/dbraw/zinc/39/20/73/1094392073.db2.gz LHAMGVRHNYVEPU-IRXDYDNUSA-N 2 0 323.525 3.090 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171121289 1095437492 /nfs/dbraw/zinc/43/74/92/1095437492.db2.gz RUABAZYDUUKHFH-ROUUACIJSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171122310 1095439384 /nfs/dbraw/zinc/43/93/84/1095439384.db2.gz YFSJCVZKZVSMPJ-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161451 1095467007 /nfs/dbraw/zinc/46/70/07/1095467007.db2.gz ORWOEQJGEADJSR-HXUWFJFHSA-N 2 0 311.473 3.347 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315947 1095545884 /nfs/dbraw/zinc/54/58/84/1095545884.db2.gz RQVOKEYYKNWBOE-LJQANCHMSA-N 2 0 300.446 3.360 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001171193718 1095695081 /nfs/dbraw/zinc/69/50/81/1095695081.db2.gz YNMWZLOXQDYQAN-MRXNPFEDSA-N 2 0 311.473 3.486 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001171198710 1095712806 /nfs/dbraw/zinc/71/28/06/1095712806.db2.gz OJKPSSDGVSJACI-MRXNPFEDSA-N 2 0 311.473 3.473 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340107501 1095866204 /nfs/dbraw/zinc/86/62/04/1095866204.db2.gz YRPQZGLNMXHJLR-BBWFWOEESA-N 2 0 311.514 3.005 20 30 DGEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702678 1096084588 /nfs/dbraw/zinc/08/45/88/1096084588.db2.gz ZGVOUZNENFGQTH-MSOLQXFVSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147359336 1096208618 /nfs/dbraw/zinc/20/86/18/1096208618.db2.gz OUATVIGWXSLGLE-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172311269 1097097057 /nfs/dbraw/zinc/09/70/57/1097097057.db2.gz AVNPKWYZSSKSJT-QGZVFWFLSA-N 2 0 311.473 3.440 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001172299139 1097110121 /nfs/dbraw/zinc/11/01/21/1097110121.db2.gz FUYSJVDKACTJLR-QGZVFWFLSA-N 2 0 321.468 3.383 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172383032 1097140875 /nfs/dbraw/zinc/14/08/75/1097140875.db2.gz NRXQIDNSMXDUSC-XUVXKRRUSA-N 2 0 319.537 3.103 20 30 DGEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172486244 1097152320 /nfs/dbraw/zinc/15/23/20/1097152320.db2.gz CNFFXRSTKGGKPW-OAHLLOKOSA-N 2 0 303.425 3.244 20 30 DGEDRP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H](C)CCCC#N)C[C@@H]3C2)cc1 ZINC001172493436 1097169133 /nfs/dbraw/zinc/16/91/33/1097169133.db2.gz ANQOAZZQWOLDEX-YSIASYRMSA-N 2 0 311.473 3.441 20 30 DGEDRP [NH3+][C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206165852 1097187820 /nfs/dbraw/zinc/18/78/20/1097187820.db2.gz PIDVOYYRWMEBEP-SFTDATJTSA-N 2 0 322.427 3.348 20 30 DGEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229170469 1097269159 /nfs/dbraw/zinc/26/91/59/1097269159.db2.gz CERVZNPJQDPAGE-AEFFLSMTSA-N 2 0 323.525 3.042 20 30 DGEDRP C=C(C)C[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001230016395 1097428984 /nfs/dbraw/zinc/42/89/84/1097428984.db2.gz MZEIBLGXZVSVBV-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001231625251 1097794942 /nfs/dbraw/zinc/79/49/42/1097794942.db2.gz QQDKUNQRBTXISY-UHFFFAOYSA-N 2 0 300.446 3.169 20 30 DGEDRP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048025 1097928614 /nfs/dbraw/zinc/92/86/14/1097928614.db2.gz FNIRXTZHYQZUPS-KRWDZBQOSA-N 2 0 313.530 3.173 20 30 DGEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760462 1098435138 /nfs/dbraw/zinc/43/51/38/1098435138.db2.gz XKYPQFVWKSANLM-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP C(#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1)c1ccccc1 ZINC001235032978 1098761639 /nfs/dbraw/zinc/76/16/39/1098761639.db2.gz NLSCTIBEDXKFRW-JOCHJYFZSA-N 2 0 316.448 3.272 20 30 DGEDRP C(#Cc1ccccc1)c1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)s1 ZINC001235088221 1098790686 /nfs/dbraw/zinc/79/06/86/1098790686.db2.gz DXJDSSYRULQYKL-UHFFFAOYSA-N 2 0 322.477 3.333 20 30 DGEDRP [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235160350 1098847472 /nfs/dbraw/zinc/84/74/72/1098847472.db2.gz KYJQGTYQGRAWBF-LEWJYISDSA-N 2 0 302.421 3.010 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178487060 1098850572 /nfs/dbraw/zinc/85/05/72/1098850572.db2.gz MVTNQUBPMYYMBW-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP C=CCc1cccc(CN2CCCC[C@@]23CCC[NH2+]C3)c1O ZINC001235169794 1098853481 /nfs/dbraw/zinc/85/34/81/1098853481.db2.gz YUCMICZLAIYPKX-IBGZPJMESA-N 2 0 300.446 3.229 20 30 DGEDRP CCc1cc(C#N)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236308 1098909436 /nfs/dbraw/zinc/90/94/36/1098909436.db2.gz DUBJCXKBZMBWFU-HXUWFJFHSA-N 2 0 311.473 3.475 20 30 DGEDRP N#CCCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277942763 1098995763 /nfs/dbraw/zinc/99/57/63/1098995763.db2.gz CHVYNIWYDWOBTN-GASCZTMLSA-N 2 0 317.399 3.276 20 30 DGEDRP C=CCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235423676 1099016945 /nfs/dbraw/zinc/01/69/45/1099016945.db2.gz GGRPHTSFIFAZDE-ROUUACIJSA-N 2 0 314.473 3.332 20 30 DGEDRP N#Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235425426 1099019549 /nfs/dbraw/zinc/01/95/49/1099019549.db2.gz JGCURVPVOOZVGO-DLBZAZTESA-N 2 0 322.456 3.251 20 30 DGEDRP CCCCCCC[N@H+](CC)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235664203 1099112222 /nfs/dbraw/zinc/11/22/22/1099112222.db2.gz ZKNNOWNBJONHBF-UHFFFAOYSA-N 2 0 318.509 3.284 20 30 DGEDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235673717 1099116041 /nfs/dbraw/zinc/11/60/41/1099116041.db2.gz CPKMKMXTPHXJAY-LJQANCHMSA-N 2 0 304.437 3.257 20 30 DGEDRP C#CC[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834090 1099199490 /nfs/dbraw/zinc/19/94/90/1099199490.db2.gz KTDNRKGIQJUADQ-JOCHJYFZSA-N 2 0 316.448 3.455 20 30 DGEDRP CCCCCCCCc1ccc(CN(CC[NH3+])CC[NH3+])s1 ZINC001235880340 1099230666 /nfs/dbraw/zinc/23/06/66/1099230666.db2.gz JXZMANULGATEEQ-UHFFFAOYSA-N 2 0 311.539 3.371 20 30 DGEDRP C=CC[N@H+](Cc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235963653 1099296865 /nfs/dbraw/zinc/29/68/65/1099296865.db2.gz XJDQAZNFCGLGOT-UHFFFAOYSA-N 2 0 321.468 3.284 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180445522 1099407983 /nfs/dbraw/zinc/40/79/83/1099407983.db2.gz MDYACWRWXKQFKT-UHFFFAOYSA-N 2 0 323.525 3.095 20 30 DGEDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]12 ZINC001236829865 1099814555 /nfs/dbraw/zinc/81/45/55/1099814555.db2.gz LICQSOVMBHFQBM-YPAWHYETSA-N 2 0 316.448 3.256 20 30 DGEDRP N#CCc1ccccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962791 1099893046 /nfs/dbraw/zinc/89/30/46/1099893046.db2.gz RVSMTQWVAJZBED-UHFFFAOYSA-N 2 0 311.473 3.354 20 30 DGEDRP C[N@@H+]1CCc2c(F)cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2C1 ZINC001240360546 1100959175 /nfs/dbraw/zinc/95/91/75/1100959175.db2.gz CREMUWMSGLHPJY-UHFFFAOYSA-N 2 0 321.399 3.039 20 30 DGEDRP N#Cc1ccc(CC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001197264007 1101513948 /nfs/dbraw/zinc/51/39/48/1101513948.db2.gz JCTQCSRWLRJVFT-FQEVSTJZSA-N 2 0 316.408 3.328 20 30 DGEDRP Cc1cc(C#N)ccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242474227 1102154837 /nfs/dbraw/zinc/15/48/37/1102154837.db2.gz JZRCUIIDYFJZRH-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP Cc1ccc(C#N)cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242542392 1102200188 /nfs/dbraw/zinc/20/01/88/1102200188.db2.gz GCMSFKMHNBEFQR-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccc1C#N ZINC001242769285 1102330723 /nfs/dbraw/zinc/33/07/23/1102330723.db2.gz LXSOFKYHSVCVPY-UHFFFAOYSA-N 2 0 305.425 3.457 20 30 DGEDRP CCCCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201839865 1102744571 /nfs/dbraw/zinc/74/45/71/1102744571.db2.gz LLAVUXKADPLVHJ-UHFFFAOYSA-N 2 0 309.542 3.306 20 30 DGEDRP N#CCOc1ccccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001243589075 1102831746 /nfs/dbraw/zinc/83/17/46/1102831746.db2.gz UVJORAJZZPZYEB-UHFFFAOYSA-N 2 0 321.424 3.179 20 30 DGEDRP N#Cc1ccc(F)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001244556439 1103519693 /nfs/dbraw/zinc/51/96/93/1103519693.db2.gz JHMFCHBOBNJEDR-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245979340 1104345054 /nfs/dbraw/zinc/34/50/54/1104345054.db2.gz UOKZVXLGYBEMGZ-WJFTUGDTSA-N 2 0 310.526 3.323 20 30 DGEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001245987358 1104347415 /nfs/dbraw/zinc/34/74/15/1104347415.db2.gz RFMHIMXNCHINGH-AKHDSKFASA-N 2 0 310.526 3.466 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246018036 1104351443 /nfs/dbraw/zinc/35/14/43/1104351443.db2.gz LMGPSECBXATIGV-CADBVGFASA-N 2 0 308.510 3.242 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246026339 1104355215 /nfs/dbraw/zinc/35/52/15/1104355215.db2.gz MPTIZPAZRFNBLV-MOPGFXCFSA-N 2 0 308.510 3.482 20 30 DGEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246019941 1104355605 /nfs/dbraw/zinc/35/56/05/1104355605.db2.gz BHSPXYOBCKDNTC-GOSISDBHSA-N 2 0 308.510 3.482 20 30 DGEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246114267 1104393370 /nfs/dbraw/zinc/39/33/70/1104393370.db2.gz VGQVLHGALXGAQX-QREPNTDJSA-N 2 0 311.473 3.368 20 30 DGEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246116795 1104394719 /nfs/dbraw/zinc/39/47/19/1104394719.db2.gz WZOJOQBZSSTDDB-GDBSJFFISA-N 2 0 311.473 3.420 20 30 DGEDRP CCCC[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC[NH2+]1 ZINC001246324381 1104489164 /nfs/dbraw/zinc/48/91/64/1104489164.db2.gz HDGXVJPEMJWARD-MSOLQXFVSA-N 2 0 324.472 3.497 20 30 DGEDRP CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646041 1104643282 /nfs/dbraw/zinc/64/32/82/1104643282.db2.gz WFOPVLQBPZDVST-RBUKOAKNSA-N 2 0 309.542 3.399 20 30 DGEDRP C=CCOC1CCC([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658859 1104650893 /nfs/dbraw/zinc/65/08/93/1104650893.db2.gz BDENBPGJHBOGCT-ACBHZAAOSA-N 2 0 306.494 3.354 20 30 DGEDRP N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])CC2)cc1 ZINC001246839243 1104699162 /nfs/dbraw/zinc/69/91/62/1104699162.db2.gz CIODFAGFHITAHE-NGRHZWBJSA-N 2 0 309.457 3.254 20 30 DGEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001275591784 1104823451 /nfs/dbraw/zinc/82/34/51/1104823451.db2.gz BDRWAPCCIHFJAZ-MRXNPFEDSA-N 2 0 323.525 3.042 20 30 DGEDRP C=CCCCCCCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276047305 1105005004 /nfs/dbraw/zinc/00/50/04/1105005004.db2.gz LERWVPZFYAVJBQ-UHFFFAOYSA-N 2 0 307.526 3.225 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001254650189 1106122758 /nfs/dbraw/zinc/12/27/58/1106122758.db2.gz YHGPRICDWYWYOM-WBVHZDCISA-N 2 0 317.864 3.368 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254657186 1106124117 /nfs/dbraw/zinc/12/41/17/1106124117.db2.gz OEOXMLKSKWWXGD-VBSBHUPXSA-N 2 0 322.456 3.322 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001258722668 1106929436 /nfs/dbraw/zinc/92/94/36/1106929436.db2.gz SOGWMOCUNOVSIG-IHPCNDPISA-N 2 0 319.537 3.270 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](CC)C[C@H](C)CC)CC1 ZINC001258796571 1106983018 /nfs/dbraw/zinc/98/30/18/1106983018.db2.gz DIACRRLHIRKFCB-WOJBJXKFSA-N 2 0 321.553 3.493 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001263126971 1107955029 /nfs/dbraw/zinc/95/50/29/1107955029.db2.gz BPSGGFMRDJMYMN-SQNIBIBYSA-N 2 0 323.525 3.055 20 30 DGEDRP N#CC1(c2ccccc2)CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC001324335122 1108253889 /nfs/dbraw/zinc/25/38/89/1108253889.db2.gz DLPDFISCJHPGAV-UHFFFAOYSA-N 2 0 311.473 3.466 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000104181493 432014419 /nfs/dbraw/zinc/01/44/19/432014419.db2.gz SFXGBGLQVSGSHI-MRXNPFEDSA-N 2 0 302.466 3.096 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174429691 198333598 /nfs/dbraw/zinc/33/35/98/198333598.db2.gz MNFVLGUNVGTVRM-MRXNPFEDSA-N 2 0 323.440 3.349 20 30 DGEDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C#N ZINC000120809001 195241887 /nfs/dbraw/zinc/24/18/87/195241887.db2.gz GYRWWAIVCRLSSG-KRWDZBQOSA-N 2 0 315.461 3.024 20 30 DGEDRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000611254321 400364864 /nfs/dbraw/zinc/36/48/64/400364864.db2.gz GSRVSXVEOMYRRN-UHFFFAOYSA-N 2 0 323.440 3.131 20 30 DGEDRP CC(C)(CC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000590970655 400471650 /nfs/dbraw/zinc/47/16/50/400471650.db2.gz ZOVGLXJCICPUGZ-UHFFFAOYSA-N 2 0 315.461 3.191 20 30 DGEDRP N#Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000602480758 400474623 /nfs/dbraw/zinc/47/46/23/400474623.db2.gz XYAHFRUDYZGUCM-UHFFFAOYSA-N 2 0 312.461 3.041 20 30 DGEDRP Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000599335340 401023638 /nfs/dbraw/zinc/02/36/38/401023638.db2.gz SRKHJWVGMBMJIM-PXNSSMCTSA-N 2 0 309.457 3.315 20 30 DGEDRP Cc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1C#N ZINC000599416017 401043369 /nfs/dbraw/zinc/04/33/69/401043369.db2.gz HJFJEEFTYXWKLN-UHFFFAOYSA-N 2 0 311.429 3.414 20 30 DGEDRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612440 165261564 /nfs/dbraw/zinc/26/15/64/165261564.db2.gz HFLVZUSBLDWVLP-HXUWFJFHSA-N 2 0 324.472 3.143 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125340420 431922065 /nfs/dbraw/zinc/92/20/65/431922065.db2.gz NBQVUIXUPYFWBI-MRXNPFEDSA-N 2 0 300.446 3.081 20 30 DGEDRP C=C1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271183884 432346732 /nfs/dbraw/zinc/34/67/32/432346732.db2.gz YGYPMMNHHLYMOU-UHFFFAOYSA-N 2 0 313.489 3.369 20 30 DGEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000192716250 432403071 /nfs/dbraw/zinc/40/30/71/432403071.db2.gz JDCBJGOQJCDDCA-UHFFFAOYSA-N 2 0 321.534 3.152 20 30 DGEDRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000192940538 432430107 /nfs/dbraw/zinc/43/01/07/432430107.db2.gz QFSAPLNWVMZLRP-INIZCTEOSA-N 2 0 301.434 3.116 20 30 DGEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159031069 432667355 /nfs/dbraw/zinc/66/73/55/432667355.db2.gz NUBLKGODVCDIQJ-IEBWSBKVSA-N 2 0 308.510 3.290 20 30 DGEDRP C#Cc1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000289182870 432930691 /nfs/dbraw/zinc/93/06/91/432930691.db2.gz GFHVDNOWHKOOMB-UHFFFAOYSA-N 2 0 322.452 3.288 20 30 DGEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288775667 432897478 /nfs/dbraw/zinc/89/74/78/432897478.db2.gz VPOSJCUSYLGRRC-ZDUSSCGKSA-N 2 0 324.419 3.204 20 30 DGEDRP C[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354879693 433338236 /nfs/dbraw/zinc/33/82/36/433338236.db2.gz KXCUIGBORIVKES-UHFFFAOYSA-N 2 0 320.440 3.302 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780592 433828156 /nfs/dbraw/zinc/82/81/56/433828156.db2.gz LRFRMBVWBOYUTO-SJORKVTESA-N 2 0 300.446 3.073 20 30 DGEDRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423029574 434178616 /nfs/dbraw/zinc/17/86/16/434178616.db2.gz ILFZLLLNSWIFBT-CABCVRRESA-N 2 0 305.425 3.484 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423097471 434216659 /nfs/dbraw/zinc/21/66/59/434216659.db2.gz AZYFRQBAMIICFA-GBESFXJTSA-N 2 0 300.446 3.262 20 30 DGEDRP CSC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000353613386 434270207 /nfs/dbraw/zinc/27/02/07/434270207.db2.gz VHYKAZBWXHEHSK-CQSZACIVSA-N 2 0 303.475 3.036 20 30 DGEDRP CN(CC#Cc1cccc(Cl)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000438166586 434428095 /nfs/dbraw/zinc/42/80/95/434428095.db2.gz MGDYYIDOAPUWAL-GOSISDBHSA-N 2 0 304.865 3.498 20 30 DGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366659920 434476317 /nfs/dbraw/zinc/47/63/17/434476317.db2.gz BNOAHOMXLXSCFZ-VQIMIIECSA-N 2 0 306.494 3.354 20 30 DGEDRP N#CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000366892131 434530565 /nfs/dbraw/zinc/53/05/65/434530565.db2.gz YLIGWVOGUOAOSK-IPMKNSEASA-N 2 0 309.457 3.180 20 30 DGEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000424321630 434697117 /nfs/dbraw/zinc/69/71/17/434697117.db2.gz HIFBTVAIJWBIBD-SWBPCFCJSA-N 2 0 309.457 3.179 20 30 DGEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249128 435212375 /nfs/dbraw/zinc/21/23/75/435212375.db2.gz XSJMOKUWYVKBBI-NBYUQASBSA-N 2 0 312.457 3.288 20 30 DGEDRP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784006 436042217 /nfs/dbraw/zinc/04/22/17/436042217.db2.gz CDHGPCVULCUZPD-SFHVURJKSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647481006 436063254 /nfs/dbraw/zinc/06/32/54/436063254.db2.gz OSAJZUJVRCRWDW-HKUYNNGSSA-N 2 0 300.446 3.215 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449549017 534575497 /nfs/dbraw/zinc/57/54/97/534575497.db2.gz SZKYDUSVUWBWDC-FFGOWVMKSA-N 2 0 314.473 3.220 20 30 DGEDRP C=CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339010552 526772242 /nfs/dbraw/zinc/77/22/42/526772242.db2.gz ORAQJEUYYWYDIQ-FQEVSTJZSA-N 2 0 314.473 3.177 20 30 DGEDRP C=CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339010554 526772518 /nfs/dbraw/zinc/77/25/18/526772518.db2.gz ORAQJEUYYWYDIQ-HXUWFJFHSA-N 2 0 314.473 3.177 20 30 DGEDRP C=CC[C@@H](CO)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353615730 527077364 /nfs/dbraw/zinc/07/73/64/527077364.db2.gz AIBPOOUCPAIQKW-XEVCZEQESA-N 2 0 316.489 3.204 20 30 DGEDRP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180169034 527366387 /nfs/dbraw/zinc/36/63/87/527366387.db2.gz KAIAYGIEYYGLJX-IHWFROFDSA-N 2 0 314.473 3.364 20 30 DGEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442708940 528151626 /nfs/dbraw/zinc/15/16/26/528151626.db2.gz MKWWQYMMTCKAFG-ROUUACIJSA-N 2 0 315.461 3.189 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000348217342 528668421 /nfs/dbraw/zinc/66/84/21/528668421.db2.gz PQVQIENJCZSXAF-IRXDYDNUSA-N 2 0 309.498 3.043 20 30 DGEDRP Cc1ccncc1[C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1cnccc1C ZINC000671243010 547780360 /nfs/dbraw/zinc/78/03/60/547780360.db2.gz FRQYRIIHDQVRRS-ROUUACIJSA-N 2 0 322.456 3.098 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679044846 548822453 /nfs/dbraw/zinc/82/24/53/548822453.db2.gz REYNMIKYWGOUKX-NLWGTHIKSA-N 2 0 316.489 3.204 20 30 DGEDRP CCNC(NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)=[NH+]CC ZINC000727241510 576115138 /nfs/dbraw/zinc/11/51/38/576115138.db2.gz WSWURUAKHNEUET-SFHVURJKSA-N 2 0 316.493 3.035 20 30 DGEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000894669465 618417424 /nfs/dbraw/zinc/41/74/24/618417424.db2.gz SRXXSWABRMSLEG-MRXNPFEDSA-N 2 0 321.262 3.055 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925771532 618613465 /nfs/dbraw/zinc/61/34/65/618613465.db2.gz BTNZPITVYQMEIO-YESZJQIVSA-N 2 0 315.486 3.290 20 30 DGEDRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902401693 619632194 /nfs/dbraw/zinc/63/21/94/619632194.db2.gz BFICIYKNOCTZIX-OAHLLOKOSA-N 2 0 303.475 3.148 20 30 DGEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000903100451 619716429 /nfs/dbraw/zinc/71/64/29/619716429.db2.gz SMOHZHMILGWBDA-KRWDZBQOSA-N 2 0 322.880 3.394 20 30 DGEDRP C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903108053 619717852 /nfs/dbraw/zinc/71/78/52/619717852.db2.gz LEUPVUGHBZSORI-MRXNPFEDSA-N 2 0 315.461 3.362 20 30 DGEDRP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CCC1 ZINC000903769044 619809989 /nfs/dbraw/zinc/80/99/89/619809989.db2.gz YEBDYCYSWVGWBE-RCCFBDPRSA-N 2 0 319.493 3.211 20 30 DGEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000113336293 620904700 /nfs/dbraw/zinc/90/47/00/620904700.db2.gz OTFFFUKEDYEPTN-LJQANCHMSA-N 2 0 314.473 3.299 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000766193932 622311681 /nfs/dbraw/zinc/31/16/81/622311681.db2.gz VXUGVCKQACRMPM-KRWDZBQOSA-N 2 0 314.473 3.471 20 30 DGEDRP N#Cc1cnccc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156150 622837175 /nfs/dbraw/zinc/83/71/75/622837175.db2.gz FLSXAORLVLIXLN-KXBFYZLASA-N 2 0 312.461 3.073 20 30 DGEDRP CC(C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(C#N)c1 ZINC000873213694 623077182 /nfs/dbraw/zinc/07/71/82/623077182.db2.gz MQRDVTPHWOGSQG-UHFFFAOYSA-N 2 0 311.454 3.290 20 30 DGEDRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000873238030 623086505 /nfs/dbraw/zinc/08/65/05/623086505.db2.gz VRTIQUMTXZTJKC-HNNXBMFYSA-N 2 0 321.424 3.085 20 30 DGEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244244 623089628 /nfs/dbraw/zinc/08/96/28/623089628.db2.gz KORXFSXIPJGGPE-GOEBONIOSA-N 2 0 301.434 3.018 20 30 DGEDRP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000124921610 623256905 /nfs/dbraw/zinc/25/69/05/623256905.db2.gz XEQLIACAWVRRNA-UHFFFAOYSA-N 2 0 323.440 3.179 20 30 DGEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000879249039 624463952 /nfs/dbraw/zinc/46/39/52/624463952.db2.gz CISJHDXQEBOBKJ-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880259909 624874776 /nfs/dbraw/zinc/87/47/76/624874776.db2.gz LKDWUJWPFGOVCB-INIZCTEOSA-N 2 0 300.450 3.312 20 30 DGEDRP C=CCCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000883192477 625964768 /nfs/dbraw/zinc/96/47/68/625964768.db2.gz ZYBMOWRGQCSCIG-GOSISDBHSA-N 2 0 302.462 3.130 20 30 DGEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000924703872 627670518 /nfs/dbraw/zinc/67/05/18/627670518.db2.gz HGFCBMHVGZVSDI-HNNXBMFYSA-N 2 0 303.450 3.045 20 30 DGEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1Cl ZINC000925666984 627774252 /nfs/dbraw/zinc/77/42/52/627774252.db2.gz SOAUZIVVACANCK-SJLPKXTDSA-N 2 0 317.864 3.470 20 30 DGEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C2 ZINC000925730173 627783913 /nfs/dbraw/zinc/78/39/13/627783913.db2.gz SXOSVRLAEIBMQQ-VQTJNVASSA-N 2 0 305.425 3.095 20 30 DGEDRP C=CCc1cc(C[NH2+]C2CCC(C[NH3+])CC2)cc(OC)c1OC ZINC000817908529 627958866 /nfs/dbraw/zinc/95/88/66/627958866.db2.gz GERRVJTZTNEALR-UHFFFAOYSA-N 2 0 318.461 3.039 20 30 DGEDRP CC(C)CC[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000926811973 627959650 /nfs/dbraw/zinc/95/96/50/627959650.db2.gz JBTIOOSDIWJNPH-FQEVSTJZSA-N 2 0 311.473 3.126 20 30 DGEDRP C#Cc1cccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000834904647 629804816 /nfs/dbraw/zinc/80/48/16/629804816.db2.gz ZZSHKGNXDGTQRL-KRWDZBQOSA-N 2 0 322.452 3.459 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000844924937 630988189 /nfs/dbraw/zinc/98/81/89/630988189.db2.gz NSQGRDNOBDIZPB-MRXNPFEDSA-N 2 0 308.425 3.269 20 30 DGEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000846178852 631213845 /nfs/dbraw/zinc/21/38/45/631213845.db2.gz XVPZHTKRYXOZOH-MRXNPFEDSA-N 2 0 303.450 3.217 20 30 DGEDRP C[NH+](C)[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849068962 631824989 /nfs/dbraw/zinc/82/49/89/631824989.db2.gz DANVATPTEWOPSS-SFHVURJKSA-N 2 0 314.477 3.281 20 30 DGEDRP C#CCOc1ccc(CNCCC[NH+](C(C)C)C(C)C)cc1 ZINC000236779825 656435646 /nfs/dbraw/zinc/43/56/46/656435646.db2.gz MVFGHMUDHYNABQ-UHFFFAOYSA-N 2 0 302.462 3.297 20 30 DGEDRP C#CCOc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236987592 657037800 /nfs/dbraw/zinc/03/78/00/657037800.db2.gz JCKNQCIVBMXPDL-SFHVURJKSA-N 2 0 302.462 3.155 20 30 DGEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000303712045 657557177 /nfs/dbraw/zinc/55/71/77/657557177.db2.gz PRKNFZDCIIDURU-YOEHRIQHSA-N 2 0 302.466 3.411 20 30 DGEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000303778342 657561720 /nfs/dbraw/zinc/56/17/20/657561720.db2.gz JNTQIQJQFVADAN-INIZCTEOSA-N 2 0 314.477 3.041 20 30 DGEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1 ZINC000303785699 657564160 /nfs/dbraw/zinc/56/41/60/657564160.db2.gz QPBVMNHSOMKQCN-MRXNPFEDSA-N 2 0 316.493 3.075 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303791955 657565673 /nfs/dbraw/zinc/56/56/73/657565673.db2.gz XZXQXWQAYXNKPF-QGZVFWFLSA-N 2 0 302.466 3.150 20 30 DGEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303892058 657572834 /nfs/dbraw/zinc/57/28/34/657572834.db2.gz NJOBHHKJPJNWKT-OAHLLOKOSA-N 2 0 316.493 3.121 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000303894729 657573094 /nfs/dbraw/zinc/57/30/94/657573094.db2.gz STCMTCWCIOVWNM-CQSZACIVSA-N 2 0 302.466 3.152 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303899309 657574300 /nfs/dbraw/zinc/57/43/00/657574300.db2.gz RNKYPUYINZAAAH-CJNGLKHVSA-N 2 0 302.466 3.150 20 30 DGEDRP CC(C)c1cccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)c1 ZINC000303910388 657578798 /nfs/dbraw/zinc/57/87/98/657578798.db2.gz YVFZGEXRZJBHPS-UHFFFAOYSA-N 2 0 302.466 3.413 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304761387 657650372 /nfs/dbraw/zinc/65/03/72/657650372.db2.gz UJUQCYFVVDALGS-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP C[N@@H+]1CCC[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000304762964 657650380 /nfs/dbraw/zinc/65/03/80/657650380.db2.gz WHBQRMHSZPANPL-QGZVFWFLSA-N 2 0 314.477 3.282 20 30 DGEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305042048 657667493 /nfs/dbraw/zinc/66/74/93/657667493.db2.gz DCKHZTZIZBSNEI-UHFFFAOYSA-N 2 0 316.493 3.218 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)c1 ZINC000305807501 658061264 /nfs/dbraw/zinc/06/12/64/658061264.db2.gz HDLUPFZONHHGFE-UHFFFAOYSA-N 2 0 302.466 3.152 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000165290999 658974178 /nfs/dbraw/zinc/97/41/78/658974178.db2.gz NDVSWZNQUQFZMF-SJORKVTESA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000237702495 659937091 /nfs/dbraw/zinc/93/70/91/659937091.db2.gz WQEWMVMRNGUQOZ-INIZCTEOSA-N 2 0 323.440 3.329 20 30 DGEDRP Clc1ccc(C#CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001579938008 1192000355 /nfs/dbraw/zinc/00/03/55/1192000355.db2.gz KOTXYDGUPYUHLW-SJORKVTESA-N 2 0 302.849 3.013 20 30 DGEDRP [NH3+]C[C@H]1CCCC12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC001580260966 1192017344 /nfs/dbraw/zinc/01/73/44/1192017344.db2.gz UZYSKQMRZHSKDL-QGZVFWFLSA-N 2 0 300.421 3.018 20 30 DGEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001333840808 1178683157 /nfs/dbraw/zinc/68/31/57/1178683157.db2.gz IKIHZIMUGQOIRD-FHWLQOOXSA-N 2 0 314.473 3.414 20 30 DGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC001560296366 1189307581 /nfs/dbraw/zinc/30/75/81/1189307581.db2.gz NJOHRUOAUDCWHM-SJLPKXTDSA-N 2 0 302.462 3.461 20 30 DGEDRP C=CC[C@]1(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC001574897236 1191456948 /nfs/dbraw/zinc/45/69/48/1191456948.db2.gz JCTONAPJKLBBBS-LJQANCHMSA-N 2 0 315.461 3.165 20 30 DGEDRP C=CCC[C@@H]([NH2+]C[C@@H](O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001574901537 1191457904 /nfs/dbraw/zinc/45/79/04/1191457904.db2.gz LKKNIBRGUPBEPH-LSDHHAIUSA-N 2 0 316.367 3.012 20 30 DGEDRP C[N@@H+](CC#Cc1ccc(F)cc1)CCCC[NH+]1CCCCC1 ZINC001655436180 1195917313 /nfs/dbraw/zinc/91/73/13/1195917313.db2.gz IUONSKAIKKXWNL-UHFFFAOYSA-N 2 0 302.437 3.375 20 30 DGEDRP C=C(CC)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001658123555 1196213876 /nfs/dbraw/zinc/21/38/76/1196213876.db2.gz XXWWXYQIGAQUHD-UHFFFAOYSA-N 2 0 312.360 3.126 20 30 DGEDRP C#CCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC001658652033 1196284908 /nfs/dbraw/zinc/28/49/08/1196284908.db2.gz MOTPHOAYIUFNBB-UHFFFAOYSA-N 2 0 312.457 3.197 20 30 DGEDRP C=CCOCCC[NH2+][C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001659674861 1196405186 /nfs/dbraw/zinc/40/51/86/1196405186.db2.gz XOVJNWMOFYCKAE-MJGOQNOKSA-N 2 0 302.462 3.222 20 30 DGEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001660468523 1196486977 /nfs/dbraw/zinc/48/69/77/1196486977.db2.gz ZVRWBWNNNSXZDC-RSPOEFSDSA-N 2 0 311.473 3.426 20 30 DGEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001691753731 1198201371 /nfs/dbraw/zinc/20/13/71/1198201371.db2.gz BMTYSNRJDALMFH-SFHVURJKSA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000104178794 1199516283 /nfs/dbraw/zinc/51/62/83/1199516283.db2.gz VAAOKDFTJLRPHU-UHFFFAOYSA-N 2 0 323.375 3.247 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303870955 1199600972 /nfs/dbraw/zinc/60/09/72/1199600972.db2.gz BMLLHZRINQXADB-INIZCTEOSA-N 2 0 302.466 3.376 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000303889418 1199601593 /nfs/dbraw/zinc/60/15/93/1199601593.db2.gz LVWIDIIEJNQSIE-IAGOWNOFSA-N 2 0 316.493 3.480 20 30 DGEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139874881 1081572855 /nfs/dbraw/zinc/57/28/55/1081572855.db2.gz PXEYCYPILBYAJC-UHFFFAOYSA-N 2 0 303.425 3.250 20 30 DGEDRP N#CC12CCC(Nc3cccc(CN4CC[C@@H]([NH3+])C4)c3)(CC1)CC2 ZINC001169749784 1081642395 /nfs/dbraw/zinc/64/23/95/1081642395.db2.gz BULCEAIPFXOXKR-QHGAOEGBSA-N 2 0 324.472 3.248 20 30 DGEDRP C#CCCC[N@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001209266840 1081704017 /nfs/dbraw/zinc/70/40/17/1081704017.db2.gz DQQHPIJAGJFRQG-UHFFFAOYSA-N 2 0 323.440 3.078 20 30 DGEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110021572 1081948235 /nfs/dbraw/zinc/94/82/35/1081948235.db2.gz FSSSCSBXWSLZPT-SQNIBIBYSA-N 2 0 323.525 3.020 20 30 DGEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430808 1082472655 /nfs/dbraw/zinc/47/26/55/1082472655.db2.gz XPVGVENPXNXLHU-GOSISDBHSA-N 2 0 323.525 3.070 20 30 DGEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627560 1082621449 /nfs/dbraw/zinc/62/14/49/1082621449.db2.gz PLOBCLUFWYZHJG-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132440441 1082909578 /nfs/dbraw/zinc/90/95/78/1082909578.db2.gz AJWCPKYLSUQGTN-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC001182500527 1083736096 /nfs/dbraw/zinc/73/60/96/1083736096.db2.gz VPXZWHWSVPMOLV-KNJMJIDISA-N 2 0 309.457 3.321 20 30 DGEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001183040836 1083860984 /nfs/dbraw/zinc/86/09/84/1083860984.db2.gz YFUQUGKJVHTHDC-QZTJIDSGSA-N 2 0 323.525 3.022 20 30 DGEDRP N#CC1(c2ccc(NC(=[NH2+])SCC[NH3+])cc2)CCCCC1 ZINC001167911604 1084621094 /nfs/dbraw/zinc/62/10/94/1084621094.db2.gz BFGKEFREXYBYHD-UHFFFAOYSA-N 2 0 302.447 3.451 20 30 DGEDRP CCCC[NH+]1CCC(N(C)Cc2ccc(C#N)c(F)c2)CC1 ZINC001139531189 1091588050 /nfs/dbraw/zinc/58/80/50/1091588050.db2.gz PNTBMORPGCJUMC-UHFFFAOYSA-N 2 0 303.425 3.394 20 30 DGEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001208176944 1092241035 /nfs/dbraw/zinc/24/10/35/1092241035.db2.gz KOBMSQGNKDWTLL-LJQANCHMSA-N 2 0 317.521 3.001 20 30 DGEDRP C=CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001209161443 1092678125 /nfs/dbraw/zinc/67/81/25/1092678125.db2.gz KCWBPIOYTKLDHQ-UHFFFAOYSA-N 2 0 314.473 3.320 20 30 DGEDRP C=CCCCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001209204003 1092695316 /nfs/dbraw/zinc/69/53/16/1092695316.db2.gz XERBFPZBJLSIKO-UHFFFAOYSA-N 2 0 316.493 3.207 20 30 DGEDRP C=CCCCCCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001209440662 1092774629 /nfs/dbraw/zinc/77/46/29/1092774629.db2.gz AVMUQMNUCHENIJ-UHFFFAOYSA-N 2 0 307.526 3.226 20 30 DGEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041601 1094362080 /nfs/dbraw/zinc/36/20/80/1094362080.db2.gz ZZCHHDXPIMAFTO-UHFFFAOYSA-N 2 0 323.525 3.093 20 30 DGEDRP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135315512 1094487297 /nfs/dbraw/zinc/48/72/97/1094487297.db2.gz PCVBBXUIPCBLPH-IRXDYDNUSA-N 2 0 313.530 3.172 20 30 DGEDRP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135705732 1094647407 /nfs/dbraw/zinc/64/74/07/1094647407.db2.gz ILQOGOPSABGLOR-IAGOWNOFSA-N 2 0 313.530 3.172 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001336887888 1094772080 /nfs/dbraw/zinc/77/20/80/1094772080.db2.gz FSPLANOHEYNWEU-IPMKNSEASA-N 2 0 314.473 3.414 20 30 DGEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308065 1095541555 /nfs/dbraw/zinc/54/15/55/1095541555.db2.gz GUQZMPCEQVOWJN-IBGZPJMESA-N 2 0 300.446 3.360 20 30 DGEDRP [NH3+]CC1(F)CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001222542289 1095659755 /nfs/dbraw/zinc/65/97/55/1095659755.db2.gz DIHVPLJQNGTXAB-UHFFFAOYSA-N 2 0 322.427 3.349 20 30 DGEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001171195828 1095693464 /nfs/dbraw/zinc/69/34/64/1095693464.db2.gz UXQPGKXBUKZKGY-JKSUJKDBSA-N 2 0 301.478 3.480 20 30 DGEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC001340172050 1095894626 /nfs/dbraw/zinc/89/46/26/1095894626.db2.gz GFHXEMHDEVLVHM-KRWDZBQOSA-N 2 0 303.450 3.151 20 30 DGEDRP SCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063568 1097043068 /nfs/dbraw/zinc/04/30/68/1097043068.db2.gz ASNGAIBRKJRXAR-BCDXTJNWSA-N 2 0 304.503 3.482 20 30 DGEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172290153 1097105749 /nfs/dbraw/zinc/10/57/49/1097105749.db2.gz MXLYNWYKNTVEQU-FGTMMUONSA-N 2 0 313.489 3.447 20 30 DGEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172383026 1097140890 /nfs/dbraw/zinc/14/08/90/1097140890.db2.gz NRXQIDNSMXDUSC-SLFFLAALSA-N 2 0 319.537 3.103 20 30 DGEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559833 1097142579 /nfs/dbraw/zinc/14/25/79/1097142579.db2.gz ZEAHOBNSLIFPKC-KZNAEPCWSA-N 2 0 323.525 3.090 20 30 DGEDRP C[C@H](CCCC#N)[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001172475793 1097148768 /nfs/dbraw/zinc/14/87/68/1097148768.db2.gz BUJIFTKQQDJOCL-CQSZACIVSA-N 2 0 309.479 3.246 20 30 DGEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490939 1097167395 /nfs/dbraw/zinc/16/73/95/1097167395.db2.gz CFDCYZDEOJMMAY-SZMVWBNQSA-N 2 0 300.450 3.236 20 30 DGEDRP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CCCC#N)CC2)cc1 ZINC001172494365 1097168961 /nfs/dbraw/zinc/16/89/61/1097168961.db2.gz ZTGAIVZCSVNCLS-OAHLLOKOSA-N 2 0 301.434 3.027 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229800518 1097389485 /nfs/dbraw/zinc/38/94/85/1097389485.db2.gz GZCPAURFBCLVDC-RCCFBDPRSA-N 2 0 323.525 3.090 20 30 DGEDRP N#CCC1CCC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332080 1097419496 /nfs/dbraw/zinc/41/94/96/1097419496.db2.gz ILGHYVMJDBQUED-QXINMDOSSA-N 2 0 319.493 3.210 20 30 DGEDRP C=CCC[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001230016988 1097428781 /nfs/dbraw/zinc/42/87/81/1097428781.db2.gz RWSSABPNGBBAON-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173599723 1097469196 /nfs/dbraw/zinc/46/91/96/1097469196.db2.gz PDZIQJLGVJRILW-UHFFFAOYSA-N 2 0 319.493 3.034 20 30 DGEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174651414 1097805046 /nfs/dbraw/zinc/80/50/46/1097805046.db2.gz XKCMCVIFIDHLMQ-QGZVFWFLSA-N 2 0 323.525 3.092 20 30 DGEDRP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048027 1097928539 /nfs/dbraw/zinc/92/85/39/1097928539.db2.gz FNIRXTZHYQZUPS-QGZVFWFLSA-N 2 0 313.530 3.173 20 30 DGEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178633829 1098894182 /nfs/dbraw/zinc/89/41/82/1098894182.db2.gz GWLRAFZWXXKOMD-SFHVURJKSA-N 2 0 323.525 3.093 20 30 DGEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693605 1098910364 /nfs/dbraw/zinc/91/03/64/1098910364.db2.gz XIXNVVIZYQTLNX-SFHVURJKSA-N 2 0 323.525 3.092 20 30 DGEDRP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178827410 1098945313 /nfs/dbraw/zinc/94/53/13/1098945313.db2.gz ITIJIFBKBMZTQD-ZWKOTPCHSA-N 2 0 323.525 3.092 20 30 DGEDRP N#Cc1cccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425552 1099018561 /nfs/dbraw/zinc/01/85/61/1099018561.db2.gz LVSACYOOLHJIAV-UXHICEINSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235431910 1099028585 /nfs/dbraw/zinc/02/85/85/1099028585.db2.gz PCQNTNSOUABXAK-MSOLQXFVSA-N 2 0 322.456 3.251 20 30 DGEDRP N#Cc1cccc(CCC[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235702810 1099136504 /nfs/dbraw/zinc/13/65/04/1099136504.db2.gz NSCLQFBCGQOFRW-UHFFFAOYSA-N 2 0 311.473 3.202 20 30 DGEDRP N#Cc1ccc(CC2CC[NH+](Cc3cccc(C[NH3+])c3)CC2)cc1 ZINC001235789303 1099180074 /nfs/dbraw/zinc/18/00/74/1099180074.db2.gz OWYAXPIOFDXWOK-UHFFFAOYSA-N 2 0 319.452 3.472 20 30 DGEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179979372 1099263667 /nfs/dbraw/zinc/26/36/67/1099263667.db2.gz UTAKCLSFLDNRQI-ROUUACIJSA-N 2 0 323.525 3.044 20 30 DGEDRP N#Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236373985 1099561722 /nfs/dbraw/zinc/56/17/22/1099561722.db2.gz BDRXYFLICVMZOT-MRXNPFEDSA-N 2 0 315.436 3.442 20 30 DGEDRP COc1ccc(C#N)cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001236547002 1099674155 /nfs/dbraw/zinc/67/41/55/1099674155.db2.gz RFUDDTUPVWOWKV-UHFFFAOYSA-N 2 0 321.424 3.157 20 30 DGEDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]12 ZINC001236829862 1099814819 /nfs/dbraw/zinc/81/48/19/1099814819.db2.gz LICQSOVMBHFQBM-BHDDXSALSA-N 2 0 316.448 3.256 20 30 DGEDRP N#Cc1cc(-c2ccc(C3([NH3+])CCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351798 1100953837 /nfs/dbraw/zinc/95/38/37/1100953837.db2.gz ZOILQHIVCHOHLW-UHFFFAOYSA-N 2 0 303.409 3.250 20 30 DGEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203312472 1101662426 /nfs/dbraw/zinc/66/24/26/1101662426.db2.gz FOMYTHHCFJCPAO-UHFFFAOYSA-N 2 0 323.525 3.045 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979474 1104345937 /nfs/dbraw/zinc/34/59/37/1104345937.db2.gz KBLLKZNOCYKXQK-ROUUACIJSA-N 2 0 308.510 3.386 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001245988591 1104348025 /nfs/dbraw/zinc/34/80/25/1104348025.db2.gz IOPQBHAMXSZZHA-CEXWTWQISA-N 2 0 308.510 3.386 20 30 DGEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1F ZINC001246001033 1104350572 /nfs/dbraw/zinc/35/05/72/1104350572.db2.gz KWCRIIPXJCZBDK-SQNIBIBYSA-N 2 0 316.505 3.415 20 30 DGEDRP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001246029306 1104355205 /nfs/dbraw/zinc/35/52/05/1104355205.db2.gz DBIWWOMNAMQHES-SFHVURJKSA-N 2 0 308.510 3.340 20 30 DGEDRP C[C@H]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC001246090330 1104379544 /nfs/dbraw/zinc/37/95/44/1104379544.db2.gz FWPTVMLYEWHTHP-BEEJXANESA-N 2 0 311.473 3.368 20 30 DGEDRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246116797 1104394801 /nfs/dbraw/zinc/39/48/01/1104394801.db2.gz WZOJOQBZSSTDDB-VOMHLDQXSA-N 2 0 311.473 3.420 20 30 DGEDRP CCCCCCC[C@H](CCC)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246133390 1104401167 /nfs/dbraw/zinc/40/11/67/1104401167.db2.gz NPNPBWWJHGPWGH-INIZCTEOSA-N 2 0 321.513 3.390 20 30 DGEDRP CCCC[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)CC[NH2+]1 ZINC001246324384 1104489495 /nfs/dbraw/zinc/48/94/95/1104489495.db2.gz HDGXVJPEMJWARD-QZTJIDSGSA-N 2 0 324.472 3.497 20 30 DGEDRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328310 1104492849 /nfs/dbraw/zinc/49/28/49/1104492849.db2.gz KZQZMANGPOWFMS-WMZOPIPTSA-N 2 0 315.461 3.083 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246397058 1104526214 /nfs/dbraw/zinc/52/62/14/1104526214.db2.gz CXZUGEGMORYTFW-FSPWUOQZSA-N 2 0 301.409 3.148 20 30 DGEDRP SCCCCCC[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246464916 1104549325 /nfs/dbraw/zinc/54/93/25/1104549325.db2.gz HCYHJZIAFXWVDO-ZWKOTPCHSA-N 2 0 306.519 3.430 20 30 DGEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246627529 1104634422 /nfs/dbraw/zinc/63/44/22/1104634422.db2.gz MJCDSSOZRKDMKG-QGZVFWFLSA-N 2 0 323.525 3.070 20 30 DGEDRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001275957267 1104967584 /nfs/dbraw/zinc/96/75/84/1104967584.db2.gz VQOUOXXDMHWRHO-UHFFFAOYSA-N 2 0 301.409 3.005 20 30 DGEDRP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276040686 1105003619 /nfs/dbraw/zinc/00/36/19/1105003619.db2.gz QNTNTAQZZVAHPC-LJQANCHMSA-N 2 0 307.526 3.082 20 30 DGEDRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC001249685853 1105354093 /nfs/dbraw/zinc/35/40/93/1105354093.db2.gz SJCCGNFSPWZOPY-UHFFFAOYSA-N 2 0 315.436 3.251 20 30 DGEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252549413 1105792003 /nfs/dbraw/zinc/79/20/03/1105792003.db2.gz FBQWSGBUAGPVRF-MUGJNUQGSA-N 2 0 314.473 3.034 20 30 DGEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001254648690 1106121938 /nfs/dbraw/zinc/12/19/38/1106121938.db2.gz NKVOSCUJXXVEBX-GOEBONIOSA-N 2 0 317.864 3.368 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001254650186 1106122872 /nfs/dbraw/zinc/12/28/72/1106122872.db2.gz YHGPRICDWYWYOM-NVXWUHKLSA-N 2 0 317.864 3.368 20 30 DGEDRP N#Cc1cccc(C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254657184 1106124556 /nfs/dbraw/zinc/12/45/56/1106124556.db2.gz OEOXMLKSKWWXGD-FRYIKTPZSA-N 2 0 322.456 3.322 20 30 DGEDRP N#Cc1ccc(C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254655918 1106124661 /nfs/dbraw/zinc/12/46/61/1106124661.db2.gz GRYXJHUTDBZJSB-UAFMIMERSA-N 2 0 322.456 3.322 20 30 DGEDRP Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c2ccccc2[nH+]1 ZINC001254660030 1106126766 /nfs/dbraw/zinc/12/67/66/1106126766.db2.gz FQLUJGYEIICWDJ-IRXDYDNUSA-N 2 0 320.440 3.358 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001254665770 1106127469 /nfs/dbraw/zinc/12/74/69/1106127469.db2.gz PXBHWJOQKSOTOF-SJLPKXTDSA-N 2 0 313.445 3.260 20 30 DGEDRP CC[C@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162646 1106195506 /nfs/dbraw/zinc/19/55/06/1106195506.db2.gz VFDWFSVUNDEFIQ-KZNAEPCWSA-N 2 0 315.461 3.459 20 30 DGEDRP CC(C)(C)[NH+]1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001256564168 1106445820 /nfs/dbraw/zinc/44/58/20/1106445820.db2.gz UBXADCXSSXWZOE-UHFFFAOYSA-N 2 0 310.445 3.203 20 30 DGEDRP N#CC1CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001256967137 1106517543 /nfs/dbraw/zinc/51/75/43/1106517543.db2.gz VRCNLTSVKVOVBJ-UHFFFAOYSA-N 2 0 301.478 3.409 20 30 DGEDRP C=C1C[C@@H]2CC([N@@H+](C3COC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001257890728 1106641813 /nfs/dbraw/zinc/64/18/13/1106641813.db2.gz XXWMEQSLSYEKIY-TXRRZBAUSA-N 2 0 304.478 3.092 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319762881 1108627429 /nfs/dbraw/zinc/62/74/29/1108627429.db2.gz JTMYZEJGMBFYAF-DLBZAZTESA-N 2 0 301.478 3.129 20 30 DGEDRP C=CCOc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278530433 214216016 /nfs/dbraw/zinc/21/60/16/214216016.db2.gz UXZDSRFTPWOWDU-UHFFFAOYSA-N 2 0 300.446 3.215 20 30 DGEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174351566 198323399 /nfs/dbraw/zinc/32/33/99/198323399.db2.gz WNRCQYIUHGTVIF-UHFFFAOYSA-N 2 0 323.440 3.308 20 30 DGEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297613924 283058224 /nfs/dbraw/zinc/05/82/24/283058224.db2.gz KVBOZIKNQYKSKL-HZPDHXFCSA-N 2 0 306.413 3.049 20 30 DGEDRP CC(C)[NH+]1CCC([N@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000268643463 432115476 /nfs/dbraw/zinc/11/54/76/432115476.db2.gz DYUDANKSKRAAHK-UHFFFAOYSA-N 2 0 315.461 3.132 20 30 DGEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1F ZINC000136072788 284494543 /nfs/dbraw/zinc/49/45/43/284494543.db2.gz XCXWUUOACLLDEQ-UHFFFAOYSA-N 2 0 303.406 3.110 20 30 DGEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccc1F ZINC000600781525 400152000 /nfs/dbraw/zinc/15/20/00/400152000.db2.gz DYDBJBWXRNHLNO-UHFFFAOYSA-N 2 0 309.388 3.287 20 30 DGEDRP CC[NH+]1CCC(C[NH2+][C@H](CCC#N)c2ccc(OC)cc2)CC1 ZINC000578424884 400328518 /nfs/dbraw/zinc/32/85/18/400328518.db2.gz ICNHFKMSPBMDJS-LJQANCHMSA-N 2 0 315.461 3.362 20 30 DGEDRP C[C@@]1(C#N)CCC[N@H+](CCCCC[NH+]2CCC[C@](C)(C#N)C2)C1 ZINC000612162546 400501611 /nfs/dbraw/zinc/50/16/11/400501611.db2.gz OQXHLDGYIIFQEZ-KDURUIRLSA-N 2 0 316.493 3.408 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000602514634 400485102 /nfs/dbraw/zinc/48/51/02/400485102.db2.gz PBDKNVIFUJMGTQ-SFHVURJKSA-N 2 0 321.509 3.187 20 30 DGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000602515449 400485116 /nfs/dbraw/zinc/48/51/16/400485116.db2.gz VMRHVEXDXMAILY-KURKYZTESA-N 2 0 321.509 3.043 20 30 DGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000618578797 400630553 /nfs/dbraw/zinc/63/05/53/400630553.db2.gz DMHZRYVMKNLHKG-FQEVSTJZSA-N 2 0 309.457 3.400 20 30 DGEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1(CC#N)CC1 ZINC000602808200 400581712 /nfs/dbraw/zinc/58/17/12/400581712.db2.gz DHONQSHGXQCQST-IRXDYDNUSA-N 2 0 311.473 3.426 20 30 DGEDRP C[N@H+](CC1(CC#N)CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000602835981 400586286 /nfs/dbraw/zinc/58/62/86/400586286.db2.gz CNTUINSHYZQBCK-UHFFFAOYSA-N 2 0 303.372 3.029 20 30 DGEDRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598604521 400842900 /nfs/dbraw/zinc/84/29/00/400842900.db2.gz UJEDNBGQUNYYQJ-GOSISDBHSA-N 2 0 323.525 3.121 20 30 DGEDRP C=C(C)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181643782 400890102 /nfs/dbraw/zinc/89/01/02/400890102.db2.gz FBSXSPJCYUWPMF-HNNXBMFYSA-N 2 0 305.441 3.194 20 30 DGEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623655369 401562190 /nfs/dbraw/zinc/56/21/90/401562190.db2.gz VZMHZKTYHKPVIE-QGZVFWFLSA-N 2 0 318.461 3.082 20 30 DGEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000350328153 266116266 /nfs/dbraw/zinc/11/62/66/266116266.db2.gz MQPZJYVVLDYOOF-LPHOPBHVSA-N 2 0 315.461 3.052 20 30 DGEDRP C=C(C)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000451211559 275415796 /nfs/dbraw/zinc/41/57/96/275415796.db2.gz WBCHOSXAFHFOFS-UHFFFAOYSA-N 2 0 307.869 3.148 20 30 DGEDRP C[N@H+](CCCSCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000074991910 431447446 /nfs/dbraw/zinc/44/74/46/431447446.db2.gz HEODMGLIJKXJDN-SFHVURJKSA-N 2 0 317.502 3.087 20 30 DGEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248455508 432294138 /nfs/dbraw/zinc/29/41/38/432294138.db2.gz RMQPABDFCNTDRO-WOJBJXKFSA-N 2 0 314.473 3.088 20 30 DGEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272498258 432511937 /nfs/dbraw/zinc/51/19/37/432511937.db2.gz DHGNREBRPZCWSF-MRXNPFEDSA-N 2 0 300.446 3.081 20 30 DGEDRP C[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689365 432524552 /nfs/dbraw/zinc/52/45/52/432524552.db2.gz UOWFBMCJXVGGNE-GDBMZVCRSA-N 2 0 315.436 3.440 20 30 DGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948529 432568614 /nfs/dbraw/zinc/56/86/14/432568614.db2.gz XWQGNOKRPHMAPZ-HUUCEWRRSA-N 2 0 305.491 3.467 20 30 DGEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267210343 432823073 /nfs/dbraw/zinc/82/30/73/432823073.db2.gz GINODESQOHKFOM-OAHLLOKOSA-N 2 0 314.477 3.024 20 30 DGEDRP C[C@H](CCC#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000299582371 433374575 /nfs/dbraw/zinc/37/45/75/433374575.db2.gz HTKITDZRDYILAB-MRXNPFEDSA-N 2 0 300.450 3.312 20 30 DGEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421332526 433482591 /nfs/dbraw/zinc/48/25/91/433482591.db2.gz MDPLLWASRJNFLK-OAHLLOKOSA-N 2 0 303.425 3.299 20 30 DGEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421336937 433486090 /nfs/dbraw/zinc/48/60/90/433486090.db2.gz XOUPXHYOYVHJJO-OAHLLOKOSA-N 2 0 303.425 3.442 20 30 DGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449549164 433752102 /nfs/dbraw/zinc/75/21/02/433752102.db2.gz VHOGFSZMSCRWKH-AITUJVMLSA-N 2 0 306.494 3.353 20 30 DGEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414770905 433825765 /nfs/dbraw/zinc/82/57/65/433825765.db2.gz PUFHEIOJYMPMDW-IYBDPMFKSA-N 2 0 320.864 3.336 20 30 DGEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422835654 434040458 /nfs/dbraw/zinc/04/04/58/434040458.db2.gz PUKMGTDALSBYQZ-IYWMVGAKSA-N 2 0 319.537 3.195 20 30 DGEDRP CSC1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC[NH+](C)CC1 ZINC000353617511 434275981 /nfs/dbraw/zinc/27/59/81/434275981.db2.gz DWFKDSJIROLTQS-CYBMUJFWSA-N 2 0 321.465 3.175 20 30 DGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423130976 434239019 /nfs/dbraw/zinc/23/90/19/434239019.db2.gz HIAQHRGMZFLMRV-VQIMIIECSA-N 2 0 300.446 3.434 20 30 DGEDRP C=CCCCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000365362544 434294259 /nfs/dbraw/zinc/29/42/59/434294259.db2.gz KCOFCGZXWWHJNH-UHFFFAOYSA-N 2 0 307.526 3.223 20 30 DGEDRP CSC1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC[NH+](C)CC1 ZINC000353617512 434277728 /nfs/dbraw/zinc/27/77/28/434277728.db2.gz DWFKDSJIROLTQS-ZDUSSCGKSA-N 2 0 321.465 3.175 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446655 434429190 /nfs/dbraw/zinc/42/91/90/434429190.db2.gz SZARFQRMWXOFES-SLFFLAALSA-N 2 0 309.457 3.303 20 30 DGEDRP N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476772 434441587 /nfs/dbraw/zinc/44/15/87/434441587.db2.gz RJMHGPKTIDOMJH-FXECBMLZSA-N 2 0 315.436 3.191 20 30 DGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423545481 434483719 /nfs/dbraw/zinc/48/37/19/434483719.db2.gz CRCYLHXVHWHVPQ-MSOLQXFVSA-N 2 0 315.505 3.170 20 30 DGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423544002 434485295 /nfs/dbraw/zinc/48/52/95/434485295.db2.gz NTIKVINFYCXQTR-GNBUJSLZSA-N 2 0 309.457 3.303 20 30 DGEDRP C=C(CC)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000451263999 434560282 /nfs/dbraw/zinc/56/02/82/434560282.db2.gz ZSNUFRZJRSYILR-UHFFFAOYSA-N 2 0 307.869 3.148 20 30 DGEDRP CN(CC#Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367598924 434553065 /nfs/dbraw/zinc/55/30/65/434553065.db2.gz ATKPBORXITYLIR-JWTNVVGKSA-N 2 0 302.849 3.249 20 30 DGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411302206 434757346 /nfs/dbraw/zinc/75/73/46/434757346.db2.gz FPMCRCSUWQJUQM-GOSISDBHSA-N 2 0 321.509 3.283 20 30 DGEDRP CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCc2ccccc2C1 ZINC000463287914 434952131 /nfs/dbraw/zinc/95/21/31/434952131.db2.gz NWEKUOARFUZWRH-FFZOFVMBSA-N 2 0 311.473 3.495 20 30 DGEDRP CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)N1CCc2ccccc2C1 ZINC000463287915 434952275 /nfs/dbraw/zinc/95/22/75/434952275.db2.gz NWEKUOARFUZWRH-LSTHTHJFSA-N 2 0 311.473 3.495 20 30 DGEDRP C=CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000565331457 435278848 /nfs/dbraw/zinc/27/88/48/435278848.db2.gz HQQIMJFLGKBEJN-PKOBYXMFSA-N 2 0 300.446 3.168 20 30 DGEDRP C=CCOc1cccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000536697048 435404668 /nfs/dbraw/zinc/40/46/68/435404668.db2.gz AHPMVBVUJLAVLO-IBGZPJMESA-N 2 0 314.473 3.415 20 30 DGEDRP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786481 436045565 /nfs/dbraw/zinc/04/55/65/436045565.db2.gz SYZMLKOTOOMJLT-GOSISDBHSA-N 2 0 314.473 3.463 20 30 DGEDRP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647481008 436063172 /nfs/dbraw/zinc/06/31/72/436063172.db2.gz OSAJZUJVRCRWDW-MJGOQNOKSA-N 2 0 300.446 3.215 20 30 DGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167430 436392246 /nfs/dbraw/zinc/39/22/46/436392246.db2.gz SDUIHROAIRXZGT-SJORKVTESA-N 2 0 301.478 3.484 20 30 DGEDRP C[N@@H+]1CCC[C@@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959749 335098248 /nfs/dbraw/zinc/09/82/48/335098248.db2.gz LIHRROVDJAYYFD-GOSISDBHSA-N 2 0 302.849 3.109 20 30 DGEDRP C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000090180664 545823014 /nfs/dbraw/zinc/82/30/14/545823014.db2.gz VPJHYLVRCPXOQE-AWEZNQCLSA-N 2 0 324.390 3.377 20 30 DGEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000679044848 548822884 /nfs/dbraw/zinc/82/28/84/548822884.db2.gz REYNMIKYWGOUKX-NSHGMRRFSA-N 2 0 316.489 3.204 20 30 DGEDRP COc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000925583521 618500849 /nfs/dbraw/zinc/50/08/49/618500849.db2.gz MAPFHALFVUOSRW-OAHLLOKOSA-N 2 0 323.440 3.479 20 30 DGEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902802097 619675671 /nfs/dbraw/zinc/67/56/71/619675671.db2.gz IBUKLKRXZWUOHP-MRXNPFEDSA-N 2 0 300.450 3.260 20 30 DGEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@]1(C)CCCCO1 ZINC000903010295 619704077 /nfs/dbraw/zinc/70/40/77/619704077.db2.gz KDSBMCYWPSNXPB-HDDXRBDOSA-N 2 0 306.494 3.495 20 30 DGEDRP N#Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453960 619779319 /nfs/dbraw/zinc/77/93/19/619779319.db2.gz QDRCUBFDGPJRHP-WBVHZDCISA-N 2 0 303.837 3.176 20 30 DGEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903452826 619779381 /nfs/dbraw/zinc/77/93/81/619779381.db2.gz RXTCQJZCCJHXRR-MRXNPFEDSA-N 2 0 303.837 3.033 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000764663260 622211508 /nfs/dbraw/zinc/21/15/08/622211508.db2.gz RJQZAZYUKHMYFC-KRWDZBQOSA-N 2 0 300.446 3.225 20 30 DGEDRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCC#N)cc1 ZINC000796821332 626086376 /nfs/dbraw/zinc/08/63/76/626086376.db2.gz UFOMNYOWGRWLAL-OOHWJJMZSA-N 2 0 301.434 3.112 20 30 DGEDRP N#Cc1ccc(CN2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886392123 627145844 /nfs/dbraw/zinc/14/58/44/627145844.db2.gz VXOGKESQNIKAKT-UHFFFAOYSA-N 2 0 309.457 3.445 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000104162882 627411364 /nfs/dbraw/zinc/41/13/64/627411364.db2.gz PHTRIORWGOOACD-INIZCTEOSA-N 2 0 316.493 3.075 20 30 DGEDRP C#CCOc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000815150652 627638329 /nfs/dbraw/zinc/63/83/29/627638329.db2.gz DCIVPUNEWGOSKJ-UHFFFAOYSA-N 2 0 300.446 3.054 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000924704151 627670857 /nfs/dbraw/zinc/67/08/57/627670857.db2.gz KUCWPYFVTROBNY-OAHLLOKOSA-N 2 0 303.450 3.045 20 30 DGEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924941153 627695709 /nfs/dbraw/zinc/69/57/09/627695709.db2.gz UFRWCJZIBLKMIO-MRXNPFEDSA-N 2 0 317.477 3.435 20 30 DGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@H](C)C1 ZINC000925079647 627706813 /nfs/dbraw/zinc/70/68/13/627706813.db2.gz YCYIAJCEDVAAHJ-ZACQAIPSSA-N 2 0 309.498 3.041 20 30 DGEDRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000925886835 627812405 /nfs/dbraw/zinc/81/24/05/627812405.db2.gz MAQIZRIHZAVHNU-ZTQAJYAQSA-N 2 0 323.415 3.407 20 30 DGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000817410576 627895620 /nfs/dbraw/zinc/89/56/20/627895620.db2.gz ZLJUPONXNSZQAZ-UHFFFAOYSA-N 2 0 311.404 3.391 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000817939263 627967857 /nfs/dbraw/zinc/96/78/57/627967857.db2.gz BRDIQCFFMCHCFG-AWEZNQCLSA-N 2 0 308.853 3.468 20 30 DGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000817945439 627970910 /nfs/dbraw/zinc/97/09/10/627970910.db2.gz CSAPGJWMEQKXSD-HUUCEWRRSA-N 2 0 308.853 3.468 20 30 DGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000817954995 627973508 /nfs/dbraw/zinc/97/35/08/627973508.db2.gz OAGZQIIRVJYLOL-LSDHHAIUSA-N 2 0 308.853 3.468 20 30 DGEDRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000817961719 627977035 /nfs/dbraw/zinc/97/70/35/627977035.db2.gz ATDDFUFCJRDVHS-LSDHHAIUSA-N 2 0 309.413 3.459 20 30 DGEDRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000817975992 627980794 /nfs/dbraw/zinc/98/07/94/627980794.db2.gz SQSJQUNBKRWNGV-JYJNAYRXSA-N 2 0 301.434 3.005 20 30 DGEDRP C=CCN1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810252 628299233 /nfs/dbraw/zinc/29/92/33/628299233.db2.gz SPDMEASSIDFZBR-INIZCTEOSA-N 2 0 301.478 3.049 20 30 DGEDRP C#C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000827564622 628971228 /nfs/dbraw/zinc/97/12/28/628971228.db2.gz DWUSPBHVCRDPEJ-UXPWSPDFSA-N 2 0 318.505 3.048 20 30 DGEDRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(OCC#N)cc1 ZINC000844923458 630985911 /nfs/dbraw/zinc/98/59/11/630985911.db2.gz IELIXSMUZHUWDA-ZDUSSCGKSA-N 2 0 313.376 3.038 20 30 DGEDRP C#C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000848923069 631789078 /nfs/dbraw/zinc/78/90/78/631789078.db2.gz DTVUCLRRPYTHEW-SFHVURJKSA-N 2 0 312.457 3.006 20 30 DGEDRP C[NH+]=C(NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)NC1CC1 ZINC000849077707 631828374 /nfs/dbraw/zinc/82/83/74/631828374.db2.gz KCJHCKJUFSGDRM-YJBOKZPZSA-N 2 0 316.493 3.079 20 30 DGEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCCC1 ZINC000303386827 657532262 /nfs/dbraw/zinc/53/22/62/657532262.db2.gz WREYMLMYFYZCBY-KRWDZBQOSA-N 2 0 302.466 3.314 20 30 DGEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCCC1 ZINC000262410280 657552300 /nfs/dbraw/zinc/55/23/00/657552300.db2.gz XOZUTMJEABZWNA-UHFFFAOYSA-N 2 0 314.477 3.024 20 30 DGEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)c1 ZINC000303776995 657562704 /nfs/dbraw/zinc/56/27/04/657562704.db2.gz IGIWVNSURSJOOY-UHFFFAOYSA-N 2 0 302.466 3.098 20 30 DGEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000303892634 657573387 /nfs/dbraw/zinc/57/33/87/657573387.db2.gz NTOFCVDBCKICNK-INIZCTEOSA-N 2 0 318.509 3.367 20 30 DGEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303899311 657575072 /nfs/dbraw/zinc/57/50/72/657575072.db2.gz RNKYPUYINZAAAH-CZUORRHYSA-N 2 0 302.466 3.150 20 30 DGEDRP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303972373 657582437 /nfs/dbraw/zinc/58/24/37/657582437.db2.gz FTNBJKOFNWNWGC-UHFFFAOYSA-N 2 0 316.493 3.219 20 30 DGEDRP CCCCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304754291 657647246 /nfs/dbraw/zinc/64/72/46/657647246.db2.gz LTQOMFCCFDXERR-MRXNPFEDSA-N 2 0 316.493 3.354 20 30 DGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237546628 659928463 /nfs/dbraw/zinc/92/84/63/659928463.db2.gz SBZAQXBTWJLXRE-IAGOWNOFSA-N 2 0 315.461 3.189 20 30 DGEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001577425947 1191900440 /nfs/dbraw/zinc/90/04/40/1191900440.db2.gz BWGDPPBNRWBGHY-INIZCTEOSA-N 2 0 311.514 3.007 20 30 DGEDRP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001331441069 1178215269 /nfs/dbraw/zinc/21/52/69/1178215269.db2.gz VWACEBYRWKRJHC-DLBZAZTESA-N 2 0 323.525 3.042 20 30 DGEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001343525655 1179291845 /nfs/dbraw/zinc/29/18/45/1179291845.db2.gz KBJDZNUURFKAKM-QGZVFWFLSA-N 2 0 311.514 3.053 20 30 DGEDRP C#CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC001621045407 1192955890 /nfs/dbraw/zinc/95/58/90/1192955890.db2.gz SSGQBHQGBXTGEF-UHFFFAOYSA-N 2 0 312.457 3.197 20 30 DGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C#N)ccn1 ZINC001473690219 1183790284 /nfs/dbraw/zinc/79/02/84/1183790284.db2.gz ARQQVDPDIVVETR-UHFFFAOYSA-N 2 0 308.429 3.037 20 30 DGEDRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCSCC#N)CC1 ZINC001473716565 1183793432 /nfs/dbraw/zinc/79/34/32/1183793432.db2.gz IIKQUKMTRBMMEU-QGZVFWFLSA-N 2 0 309.523 3.220 20 30 DGEDRP C#Cc1ccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)cc1 ZINC001474237502 1183886386 /nfs/dbraw/zinc/88/63/86/1183886386.db2.gz PMHCIOBRSJBXKP-UHFFFAOYSA-N 2 0 318.464 3.421 20 30 DGEDRP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CCCCC1 ZINC001574927086 1191458994 /nfs/dbraw/zinc/45/89/94/1191458994.db2.gz DRMGPRVHLAOBRD-GOSISDBHSA-N 2 0 306.494 3.213 20 30 DGEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC001647037050 1195242553 /nfs/dbraw/zinc/24/25/53/1195242553.db2.gz LXCXTRBUBUXARA-SJORKVTESA-N 2 0 318.461 3.222 20 30 DGEDRP N#C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001654830895 1195845179 /nfs/dbraw/zinc/84/51/79/1195845179.db2.gz VCVUWNKUHSQPGE-ZGXWSNOMSA-N 2 0 309.457 3.133 20 30 DGEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001657522619 1196151484 /nfs/dbraw/zinc/15/14/84/1196151484.db2.gz IFQXWLUMARQDDZ-QFBILLFUSA-N 2 0 302.462 3.088 20 30 DGEDRP C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001660029960 1196439226 /nfs/dbraw/zinc/43/92/26/1196439226.db2.gz FKZZCDRMSWVUAB-RLLQIKCJSA-N 2 0 311.473 3.380 20 30 DGEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001666901996 1197296919 /nfs/dbraw/zinc/29/69/19/1197296919.db2.gz AEKDTNZRCOOPDY-DLBZAZTESA-N 2 0 323.525 3.042 20 30 DGEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000303884116 1199601646 /nfs/dbraw/zinc/60/16/46/1199601646.db2.gz MQXMWSZINUCLHH-HZPDHXFCSA-N 2 0 316.493 3.478 20 30 DGEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000121821497 1200240459 /nfs/dbraw/zinc/24/04/59/1200240459.db2.gz VHRRZZWWIUFENP-DLBZAZTESA-N 2 0 300.446 3.081 20 30 DGEDRP