CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@]2(C)O)[C@@]1(C)O	ZINC000000049489	39/96/54/281399654	MVHAFMJBIFNSGD-KBPBESRZSA-N	0	316.354	DC	0.865	0	Anodyne	ref	DCAARN	CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@]2(C)O)[C@@]1(C)O	 
CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@]1(C)O	ZINC000000049492	39/96/59/281399659	MVHAFMJBIFNSGD-ZIAGYGMSSA-N	0	316.354	DC	0.865	0	Anodyne	ref	DCAARN	CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@]1(C)O	 
O=CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1	ZINC000000294759	75/04/53/180750453	RZONVMDGTQJSOE-ZDUSSCGKSA-N	0	321.764	DC	0.746	0	Anodyne	ref	DCAARN	O=CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1	 
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/56/415126856	XCVMKCYUNNAQAM-UHFFFAOYSA-N	0	303.414	DC	0.482	3	Anodyne	high	DCAAHN	C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	 
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/47/415126847	XCVMKCYUNNAQAM-UHFFFAOYSA-N	2	303.414	DC	0.482	1	Anodyne	mid	DCAAMP	C1CCN(c2nc(N3CC[NH2+]CC3)nc(N3CCCC3)[nH+]2)C1	 
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/31/415126831	XCVMKCYUNNAQAM-UHFFFAOYSA-N	1	303.414	DC	0.482	0	Anodyne	ref	DCAARO	C1CCN(c2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)C1	 
Nc1cc(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c12	ZINC000001686995	49/39/44/303493944	YDEOXZHCPCPPJG-UHFFFAOYSA-N	-2	303.317	DC	0.915	0	Anodyne	ref	DCAARL	Nc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c12	 
COC(=O)[C@@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O	ZINC000002025803	68/13/47/395681347	DGMCKCSWJWXVQK-FIKIJFGZSA-N	0	309.343	DC	0.593	0	Anodyne	ref	DCAARN	COC(=O)[C@@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O	 
COC(=O)[C@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O	ZINC000002025805	68/13/38/395681338	DGMCKCSWJWXVQK-MQJDWESPSA-N	0	309.343	DC	0.593	0	Anodyne	ref	DCAARN	COC(=O)[C@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O	 
CC(=O)NC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	ZINC000004085799	08/63/88/278086388	BZDLGPKYZKRUJK-VEHYUVCDSA-N	0	312.163	DC	0.503	0	Anodyne	ref	DCAARN	CC(=O)NC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	 
CC(=O)OC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	ZINC000004085804	21/77/15/278217715	XZCCOLJFEOMFTM-VEHYUVCDSA-N	0	313.147	DC	0.93	0	Anodyne	ref	DCAARN	CC(=O)OC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	 
COC(=O)[C@@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O	ZINC000004087931	07/11/21/181071121	DGMCKCSWJWXVQK-WSVYEEACSA-N	0	309.343	DC	0.593	0	Anodyne	ref	DCAARN	COC(=O)[C@@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O	 
COC(=O)[C@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O	ZINC000004087932	07/08/92/181070892	DGMCKCSWJWXVQK-WIUDPPPLSA-N	0	309.343	DC	0.593	0	Anodyne	ref	DCAARN	COC(=O)[C@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O	 
C=CC[C@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000004099732	12/80/96/415128096	BZHVGNCPPJLVLZ-GUYIQFIESA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000004099735	13/05/52/415130552	BZHVGNCPPJLVLZ-WUGLTUCPSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	 
Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCCO)C2=O)cc1C	ZINC000006131726	13/41/85/415134185	KXKVVDCXWBPHJI-LCYFTJDESA-N	0	317.345	DC	0.742	2	Clean	low	DCCALN	Cc1ccc(N2C(=O)NC(=O)C(=CNCCCO)C2=O)cc1C	 
Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCCO)C2=O)cc1C	ZINC000006131726	13/41/77/415134177	KXKVVDCXWBPHJI-LCYFTJDESA-N	-1	317.345	DC	0.742	0	Clean	ref	DCCARM	Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)cc1C	 
Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCO)C2=O)cc1C	ZINC000006131729	13/26/65/415132665	WTIMYRZWECYQST-WQLSENKSSA-N	0	303.318	DC	0.352	2	Clean	low	DCCALN	Cc1ccc(N2C(=O)NC(=O)C(=CNCCO)C2=O)cc1C	 
Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCO)C2=O)cc1C	ZINC000006131729	13/26/34/415132634	WTIMYRZWECYQST-WQLSENKSSA-N	-1	303.318	DC	0.352	0	Clean	ref	DCCARM	Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCO)C2=O)cc1C	 
Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1	ZINC000008580151	68/47/79/395684779	ZRJFOYLYOUJMKB-UHFFFAOYSA-N	-1	301.331	DC	0.933	1	Anodyne	mid	DCAAMM	Cc1cc(=O)[n-]c(SCn2nnc3ccccc3c2=O)n1	 
Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1	ZINC000008580151	68/47/78/395684778	ZRJFOYLYOUJMKB-UHFFFAOYSA-N	0	301.331	DC	0.933	0	Anodyne	ref	DCAARN	Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1	 
CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@@]1(C)O	ZINC000012402032	39/96/50/281399650	MVHAFMJBIFNSGD-OKILXGFUSA-N	0	316.354	DC	0.865	0	Anodyne	ref	DCAARN	CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@@]1(C)O	 
O=CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	ZINC000018116352	09/36/30/182093630	KKKUZKJUVLLGCX-CYBMUJFWSA-N	0	321.764	DC	0.746	0	Anodyne	ref	DCAARN	O=CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	 
O=CN1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	ZINC000019782451	14/85/35/182148535	WMVUAJDVQZANHV-ZDUSSCGKSA-N	0	305.309	DC	0.232	0	Anodyne	ref	DCAARN	O=CN1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	 
O=CN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1	ZINC000019782488	14/85/63/182148563	RZONVMDGTQJSOE-CYBMUJFWSA-N	0	321.764	DC	0.746	0	Anodyne	ref	DCAARN	O=CN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1	 
COc1ccc(C(=O)N2CCOCC2)nc1N1CCOCC1	ZINC000019872911	72/74/70/536727470	QGZMVBNVANOCAI-UHFFFAOYSA-N	0	307.35	DC	0.399	0	Anodyne	ref	DCAARN	COc1ccc(C(=O)N2CCOCC2)nc1N1CCOCC1	 
CS(=O)(=O)N(c1ccc(F)c([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000068675265	39/33/53/415393353	QCBYSGKWXOMGKP-UHFFFAOYSA-N	0	312.3	DC	0.46	0	Bother	ref	DCBARN	CS(=O)(=O)N(c1ccc(F)c([N+](=O)[O-])c1)S(C)(=O)=O	 
CN(C)S(=O)(=O)/C=C/c1ccc(S(=O)(=O)N(C)C)s1	ZINC000068675329	39/63/15/415396315	CVSLCKSGTLUKIQ-BQYQJAHWSA-N	0	324.449	DC	0.861	0	Anodyne	ref	DCAARN	CN(C)S(=O)(=O)/C=C/c1ccc(S(=O)(=O)N(C)C)s1	 
CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1	ZINC000095108947	54/92/57/415549257	MPKSAVNCYXNVRH-UHFFFAOYSA-N	1	300.358	DC	0.95	2	Mild	low	DCEALO	CC(=C1C(=O)c2ccccc2C1=O)N1CC[NH+](CCO)CC1	 
CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1	ZINC000095108947	54/92/38/415549238	MPKSAVNCYXNVRH-UHFFFAOYSA-N	0	300.358	DC	0.95	0	Mild	ref	DCEARN	CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1	 
O=CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	ZINC000096319913	75/24/67/395752467	KKKUZKJUVLLGCX-ZDUSSCGKSA-N	0	321.764	DC	0.746	0	Anodyne	ref	DCAARN	O=CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	 
O=CN1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	ZINC000100567224	76/32/22/395763222	WMVUAJDVQZANHV-CYBMUJFWSA-N	0	305.309	DC	0.232	0	Anodyne	ref	DCAARN	O=CN1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	 
CSCC[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O	ZINC000100716065	60/60/29/295606029	JSLACYUFJWGBDY-QMMMGPOBSA-N	-1	303.336	DC	0.502	0	Clean	ref	DCCARM	CSCC[C@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	 
CSCC[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O	ZINC000100716069	76/37/09/395763709	JSLACYUFJWGBDY-MRVPVSSYSA-N	-1	303.336	DC	0.502	0	Clean	ref	DCCARM	CSCC[C@@H](NC=C1C(=O)OC(C)(C)OC1=O)C(=O)[O-]	 
CC1(C)OC(=O)C(=CN[C@@H](Cc2ccccc2)C(=O)O)C(=O)O1	ZINC000100716071	76/37/13/395763713	VRKUEZXBZOJRDB-LBPRGKRZSA-N	-1	319.313	DC	0.992	0	Clean	ref	DCCARM	CC1(C)OC(=O)C(=CN[C@@H](Cc2ccccc2)C(=O)[O-])C(=O)O1	 
CC1(C)OC(=O)C(=CN[C@H](Cc2ccccc2)C(=O)O)C(=O)O1	ZINC000100716073	76/35/72/395763572	VRKUEZXBZOJRDB-GFCCVEGCSA-N	-1	319.313	DC	0.992	0	Clean	ref	DCCARM	CC1(C)OC(=O)C(=CN[C@H](Cc2ccccc2)C(=O)[O-])C(=O)O1	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3	ZINC000239562540	33/02/34/416330234	BZHVGNCPPJLVLZ-FDZNKFEOSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3	ZINC000239562542	33/00/60/416330060	BZHVGNCPPJLVLZ-QCPCCJPKSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000239562544	32/99/21/416329921	BZHVGNCPPJLVLZ-ZUSNOYAUSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3